USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=15 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 Set 1.1: A 55 SER OG : rot 180:sc= 0.394 USER MOD Set 1.2: A 81 LYS NZ :NH3+ -110:sc= 0.426 (180deg=0) USER MOD Set 2.1: A 29 ASN : amide:sc= 0.877 K(o=0.88,f=0) USER MOD Set 2.2: A 45 HIS : no HD1:sc= 0 X(o=0.88,f=0.88) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 27 LYS NZ :NH3+ -127:sc= -0.789 (180deg=-4.16!) USER MOD Single : A 35 THR OG1 : rot -79:sc= 0.238 USER MOD Single : A 37 ASN : amide:sc= -0.135 K(o=-0.14,f=-1.7!) USER MOD Single : A 38 HIS : no HE2:sc= -0.301 K(o=-0.3,f=-1.1) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 60:sc= 1.23 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 61 MET CE :methyl 146:sc= 0 (180deg=-0.25) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -7:sc= 0.746 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 34.461 -15.559 1.870 1.00 0.00 N ATOM 232 CA ARG A 18 35.900 -15.540 1.634 1.00 0.00 C ATOM 233 C ARG A 18 36.578 -16.726 2.312 1.00 0.00 C ATOM 234 O ARG A 18 36.420 -16.942 3.514 1.00 0.00 O ATOM 235 CB ARG A 18 36.504 -14.231 2.147 1.00 0.00 C ATOM 236 CG ARG A 18 36.319 -14.019 3.640 1.00 0.00 C ATOM 237 CD ARG A 18 37.614 -14.260 4.402 1.00 0.00 C ATOM 238 NE ARG A 18 37.626 -13.575 5.691 1.00 0.00 N ATOM 239 CZ ARG A 18 38.451 -13.890 6.683 1.00 0.00 C ATOM 240 NH1 ARG A 18 39.327 -14.874 6.534 1.00 0.00 N ATOM 241 NH2 ARG A 18 38.402 -13.219 7.827 1.00 0.00 N ATOM 0 HA ARG A 18 36.068 -15.614 0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 18 37.569 -14.217 1.916 1.00 0.00 H new ATOM 0 HB3 ARG A 18 36.051 -13.397 1.611 1.00 0.00 H new ATOM 0 HG2 ARG A 18 35.971 -13.002 3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 18 35.546 -14.692 4.011 1.00 0.00 H new ATOM 0 HD2 ARG A 18 37.748 -15.330 4.559 1.00 0.00 H new ATOM 0 HD3 ARG A 18 38.457 -13.918 3.802 1.00 0.00 H new ATOM 0 HE ARG A 18 36.964 -12.813 5.838 1.00 0.00 H new ATOM 0 HH11 ARG A 18 39.369 -15.391 5.656 1.00 0.00 H new ATOM 0 HH12 ARG A 18 39.959 -15.114 7.298 1.00 0.00 H new ATOM 0 HH21 ARG A 18 37.730 -12.461 7.945 1.00 0.00 H new ATOM 0 HH22 ARG A 18 39.036 -13.462 8.588 1.00 0.00 H new ATOM 255 N LEU A 19 37.334 -17.493 1.533 1.00 0.00 N ATOM 256 CA LEU A 19 38.037 -18.659 2.058 1.00 0.00 C ATOM 257 C LEU A 19 39.547 -18.490 1.924 1.00 0.00 C ATOM 258 O LEU A 19 40.025 -17.741 1.071 1.00 0.00 O ATOM 259 CB LEU A 19 37.586 -19.923 1.325 1.00 0.00 C ATOM 260 CG LEU A 19 36.085 -20.047 1.060 1.00 0.00 C ATOM 261 CD1 LEU A 19 35.786 -21.309 0.267 1.00 0.00 C ATOM 262 CD2 LEU A 19 35.311 -20.042 2.370 1.00 0.00 C ATOM 0 H LEU A 19 37.476 -17.329 0.536 1.00 0.00 H new ATOM 0 HA LEU A 19 37.794 -18.754 3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 19 38.108 -19.970 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 19 37.905 -20.789 1.906 1.00 0.00 H new ATOM 0 HG LEU A 19 35.767 -19.188 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.713 -21.381 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.312 -21.272 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.119 -22.180 0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.245 -20.131 2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 19 35.632 -20.882 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.501 -19.109 2.901 1.00 0.00 H new ATOM 274 N LEU A 20 40.292 -19.192 2.770 1.00 0.00 N ATOM 275 CA LEU A 20 41.749 -19.122 2.745 1.00 0.00 C ATOM 276 C LEU A 20 42.356 -20.497 2.484 1.00 0.00 C ATOM 277 O LEU A 20 41.728 -21.523 2.742 1.00 0.00 O ATOM 278 CB LEU A 20 42.276 -18.563 4.068 1.00 0.00 C ATOM 279 CG LEU A 20 42.515 -17.053 4.111 1.00 0.00 C ATOM 280 CD1 LEU A 20 42.943 -16.620 5.504 1.00 0.00 C ATOM 281 CD2 LEU A 20 43.561 -16.650 3.081 1.00 0.00 C ATOM 0 H LEU A 20 39.912 -19.816 3.482 1.00 0.00 H new ATOM 0 HA LEU A 20 42.042 -18.455 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 20 41.569 -18.821 4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 20 43.214 -19.066 4.304 1.00 0.00 H new ATOM 0 HG LEU A 20 41.580 -16.549 3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 20 43.109 -15.543 5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 20 42.162 -16.875 6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 20 43.866 -17.132 5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 20 43.719 -15.572 3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 20 44.499 -17.163 3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 20 43.216 -16.926 2.085 1.00 0.00 H new ATOM 293 N GLY A 21 43.583 -20.509 1.971 1.00 0.00 N ATOM 294 CA GLY A 21 44.255 -21.763 1.686 1.00 0.00 C ATOM 295 C GLY A 21 45.763 -21.616 1.640 1.00 0.00 C ATOM 296 O GLY A 21 46.308 -20.602 2.076 1.00 0.00 O ATOM 0 H GLY A 21 44.123 -19.673 1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 21 43.988 -22.496 2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 21 43.902 -22.152 0.731 1.00 0.00 H new ATOM 300 N TYR A 22 46.439 -22.629 1.111 1.00 0.00 N ATOM 301 CA TYR A 22 47.894 -22.610 1.013 1.00 0.00 C ATOM 302 C TYR A 22 48.356 -23.135 -0.343 1.00 0.00 C ATOM 303 O TYR A 22 47.951 -24.215 -0.774 1.00 0.00 O ATOM 304 CB TYR A 22 48.513 -23.446 2.134 1.00 0.00 C ATOM 305 CG TYR A 22 47.906 -23.180 3.493 1.00 0.00 C ATOM 306 CD1 TYR A 22 48.117 -21.972 4.146 1.00 0.00 C ATOM 307 CD2 TYR A 22 47.122 -24.138 4.125 1.00 0.00 C ATOM 308 CE1 TYR A 22 47.565 -21.725 5.388 1.00 0.00 C ATOM 309 CE2 TYR A 22 46.565 -23.899 5.366 1.00 0.00 C ATOM 310 CZ TYR A 22 46.789 -22.691 5.994 1.00 0.00 C ATOM 311 OH TYR A 22 46.237 -22.450 7.231 1.00 0.00 O ATOM 0 H TYR A 22 46.003 -23.474 0.743 1.00 0.00 H new ATOM 0 HA TYR A 22 48.226 -21.577 1.114 1.00 0.00 H new ATOM 0 HB2 TYR A 22 48.397 -24.503 1.894 1.00 0.00 H new ATOM 0 HB3 TYR A 22 49.583 -23.245 2.178 1.00 0.00 H new ATOM 0 HD1 TYR A 22 48.723 -21.213 3.674 1.00 0.00 H new ATOM 0 HD2 TYR A 22 46.945 -25.085 3.637 1.00 0.00 H new ATOM 0 HE1 TYR A 22 47.740 -20.781 5.882 1.00 0.00 H new ATOM 0 HE2 TYR A 22 45.957 -24.654 5.843 1.00 0.00 H new ATOM 0 HH TYR A 22 45.718 -23.231 7.516 1.00 0.00 H new ATOM 321 N VAL A 23 49.207 -22.362 -1.011 1.00 0.00 N ATOM 322 CA VAL A 23 49.726 -22.749 -2.317 1.00 0.00 C ATOM 323 C VAL A 23 50.341 -24.143 -2.274 1.00 0.00 C ATOM 324 O VAL A 23 51.316 -24.381 -1.562 1.00 0.00 O ATOM 325 CB VAL A 23 50.785 -21.749 -2.819 1.00 0.00 C ATOM 326 CG1 VAL A 23 51.223 -22.098 -4.233 1.00 0.00 C ATOM 327 CG2 VAL A 23 50.247 -20.327 -2.754 1.00 0.00 C ATOM 0 H VAL A 23 49.551 -21.465 -0.669 1.00 0.00 H new ATOM 0 HA VAL A 23 48.881 -22.749 -3.005 1.00 0.00 H new ATOM 0 HB VAL A 23 51.657 -21.814 -2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 23 51.971 -21.380 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 23 51.651 -23.100 -4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 23 50.361 -22.064 -4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 23 51.008 -19.633 -3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 23 49.358 -20.245 -3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 23 49.989 -20.082 -1.724 1.00 0.00 H new ATOM 337 N ALA A 24 49.763 -25.063 -3.040 1.00 0.00 N ATOM 338 CA ALA A 24 50.256 -26.434 -3.091 1.00 0.00 C ATOM 339 C ALA A 24 51.289 -26.605 -4.199 1.00 0.00 C ATOM 340 O ALA A 24 52.312 -27.265 -4.012 1.00 0.00 O ATOM 341 CB ALA A 24 49.100 -27.403 -3.291 1.00 0.00 C ATOM 0 H ALA A 24 48.953 -24.884 -3.634 1.00 0.00 H new ATOM 0 HA ALA A 24 50.741 -26.655 -2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.482 -28.423 -3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 24 48.398 -27.308 -2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 24 48.590 -27.173 -4.227 1.00 0.00 H new ATOM 347 N THR A 25 51.016 -26.007 -5.355 1.00 0.00 N ATOM 348 CA THR A 25 51.921 -26.095 -6.493 1.00 0.00 C ATOM 349 C THR A 25 51.760 -24.894 -7.418 1.00 0.00 C ATOM 350 O THR A 25 50.647 -24.420 -7.649 1.00 0.00 O ATOM 351 CB THR A 25 51.685 -27.386 -7.301 1.00 0.00 C ATOM 352 OG1 THR A 25 51.696 -28.520 -6.426 1.00 0.00 O ATOM 353 CG2 THR A 25 52.750 -27.556 -8.373 1.00 0.00 C ATOM 0 H THR A 25 50.175 -25.456 -5.527 1.00 0.00 H new ATOM 0 HA THR A 25 52.934 -26.107 -6.090 1.00 0.00 H new ATOM 0 HB THR A 25 50.712 -27.312 -7.787 1.00 0.00 H new ATOM 0 HG1 THR A 25 51.544 -29.336 -6.947 1.00 0.00 H new ATOM 0 HG21 THR A 25 52.562 -28.474 -8.930 1.00 0.00 H new ATOM 0 HG22 THR A 25 52.720 -26.706 -9.054 1.00 0.00 H new ATOM 0 HG23 THR A 25 53.733 -27.610 -7.904 1.00 0.00 H new ATOM 361 N LEU A 26 52.878 -24.405 -7.945 1.00 0.00 N ATOM 362 CA LEU A 26 52.860 -23.258 -8.846 1.00 0.00 C ATOM 363 C LEU A 26 53.559 -23.588 -10.161 1.00 0.00 C ATOM 364 O LEU A 26 54.784 -23.701 -10.215 1.00 0.00 O ATOM 365 CB LEU A 26 53.535 -22.055 -8.185 1.00 0.00 C ATOM 366 CG LEU A 26 52.629 -21.158 -7.340 1.00 0.00 C ATOM 367 CD1 LEU A 26 53.412 -20.538 -6.193 1.00 0.00 C ATOM 368 CD2 LEU A 26 51.995 -20.076 -8.202 1.00 0.00 C ATOM 0 H LEU A 26 53.807 -24.785 -7.764 1.00 0.00 H new ATOM 0 HA LEU A 26 51.820 -23.011 -9.060 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.344 -22.420 -7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 26 53.991 -21.445 -8.965 1.00 0.00 H new ATOM 0 HG LEU A 26 51.833 -21.772 -6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.751 -19.903 -5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.817 -21.328 -5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 26 54.230 -19.938 -6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 26 51.354 -19.448 -7.584 1.00 0.00 H new ATOM 0 HD22 LEU A 26 52.777 -19.465 -8.652 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.399 -20.540 -8.988 1.00 0.00 H new ATOM 380 N LYS A 27 52.773 -23.740 -11.221 1.00 0.00 N ATOM 381 CA LYS A 27 53.315 -24.053 -12.538 1.00 0.00 C ATOM 382 C LYS A 27 53.584 -22.780 -13.333 1.00 0.00 C ATOM 383 O LYS A 27 53.515 -21.675 -12.795 1.00 0.00 O ATOM 384 CB LYS A 27 52.347 -24.953 -13.310 1.00 0.00 C ATOM 385 CG LYS A 27 51.813 -26.116 -12.491 1.00 0.00 C ATOM 386 CD LYS A 27 52.918 -27.094 -12.126 1.00 0.00 C ATOM 387 CE LYS A 27 52.393 -28.519 -12.037 1.00 0.00 C ATOM 388 NZ LYS A 27 51.303 -28.647 -11.031 1.00 0.00 N ATOM 0 H LYS A 27 51.757 -23.651 -11.194 1.00 0.00 H new ATOM 0 HA LYS A 27 54.259 -24.580 -12.398 1.00 0.00 H new ATOM 0 HB2 LYS A 27 51.508 -24.352 -13.662 1.00 0.00 H new ATOM 0 HB3 LYS A 27 52.853 -25.343 -14.193 1.00 0.00 H new ATOM 0 HG2 LYS A 27 51.345 -25.738 -11.582 1.00 0.00 H new ATOM 0 HG3 LYS A 27 51.038 -26.635 -13.056 1.00 0.00 H new ATOM 0 HD2 LYS A 27 53.711 -27.043 -12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 27 53.359 -26.807 -11.171 1.00 0.00 H new ATOM 0 HE2 LYS A 27 52.024 -28.832 -13.014 1.00 0.00 H new ATOM 0 HE3 LYS A 27 53.210 -29.191 -11.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 51.533 -29.413 -10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 51.205 -27.753 -10.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.408 -28.865 -11.514 1.00 0.00 H new ATOM 402 N ASP A 28 53.891 -22.942 -14.615 1.00 0.00 N ATOM 403 CA ASP A 28 54.168 -21.805 -15.485 1.00 0.00 C ATOM 404 C ASP A 28 52.928 -21.415 -16.283 1.00 0.00 C ATOM 405 O ASP A 28 53.015 -21.095 -17.467 1.00 0.00 O ATOM 406 CB ASP A 28 55.320 -22.132 -16.436 1.00 0.00 C ATOM 407 CG ASP A 28 56.661 -22.170 -15.730 1.00 0.00 C ATOM 408 OD1 ASP A 28 56.699 -21.891 -14.514 1.00 0.00 O ATOM 409 OD2 ASP A 28 57.673 -22.478 -16.394 1.00 0.00 O ATOM 0 H ASP A 28 53.954 -23.850 -15.075 1.00 0.00 H new ATOM 0 HA ASP A 28 54.454 -20.961 -14.857 1.00 0.00 H new ATOM 0 HB2 ASP A 28 55.134 -23.096 -16.909 1.00 0.00 H new ATOM 0 HB3 ASP A 28 55.353 -21.388 -17.232 1.00 0.00 H new ATOM 414 N ASN A 29 51.774 -21.446 -15.625 1.00 0.00 N ATOM 415 CA ASN A 29 50.515 -21.098 -16.273 1.00 0.00 C ATOM 416 C ASN A 29 49.361 -21.132 -15.276 1.00 0.00 C ATOM 417 O ASN A 29 48.457 -20.297 -15.326 1.00 0.00 O ATOM 418 CB ASN A 29 50.231 -22.057 -17.431 1.00 0.00 C ATOM 419 CG ASN A 29 49.929 -21.328 -18.726 1.00 0.00 C ATOM 420 OD1 ASN A 29 48.777 -21.245 -19.150 1.00 0.00 O ATOM 421 ND2 ASN A 29 50.967 -20.796 -19.360 1.00 0.00 N ATOM 0 H ASN A 29 51.685 -21.709 -14.643 1.00 0.00 H new ATOM 0 HA ASN A 29 50.605 -20.084 -16.663 1.00 0.00 H new ATOM 0 HB2 ASN A 29 51.091 -22.710 -17.577 1.00 0.00 H new ATOM 0 HB3 ASN A 29 49.387 -22.695 -17.171 1.00 0.00 H new ATOM 0 HD21 ASN A 29 50.826 -20.293 -20.236 1.00 0.00 H new ATOM 0 HD22 ASN A 29 51.905 -20.890 -18.971 1.00 0.00 H new ATOM 428 N PHE A 30 49.399 -22.103 -14.369 1.00 0.00 N ATOM 429 CA PHE A 30 48.357 -22.246 -13.359 1.00 0.00 C ATOM 430 C PHE A 30 48.925 -22.833 -12.070 1.00 0.00 C ATOM 431 O PHE A 30 50.032 -23.369 -12.055 1.00 0.00 O ATOM 432 CB PHE A 30 47.228 -23.136 -13.883 1.00 0.00 C ATOM 433 CG PHE A 30 47.710 -24.427 -14.480 1.00 0.00 C ATOM 434 CD1 PHE A 30 48.251 -25.418 -13.677 1.00 0.00 C ATOM 435 CD2 PHE A 30 47.622 -24.650 -15.845 1.00 0.00 C ATOM 436 CE1 PHE A 30 48.697 -26.606 -14.224 1.00 0.00 C ATOM 437 CE2 PHE A 30 48.065 -25.837 -16.397 1.00 0.00 C ATOM 438 CZ PHE A 30 48.603 -26.817 -15.585 1.00 0.00 C ATOM 0 H PHE A 30 50.140 -22.802 -14.313 1.00 0.00 H new ATOM 0 HA PHE A 30 47.959 -21.255 -13.142 1.00 0.00 H new ATOM 0 HB2 PHE A 30 46.541 -23.357 -13.066 1.00 0.00 H new ATOM 0 HB3 PHE A 30 46.662 -22.586 -14.635 1.00 0.00 H new ATOM 0 HD1 PHE A 30 48.325 -25.260 -12.611 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.202 -23.888 -16.485 1.00 0.00 H new ATOM 0 HE1 PHE A 30 49.119 -27.369 -13.587 1.00 0.00 H new ATOM 0 HE2 PHE A 30 47.991 -25.998 -17.462 1.00 0.00 H new ATOM 0 HZ PHE A 30 48.949 -27.746 -16.014 1.00 0.00 H new ATOM 448 N GLY A 31 48.158 -22.727 -10.989 1.00 0.00 N ATOM 449 CA GLY A 31 48.601 -23.250 -9.710 1.00 0.00 C ATOM 450 C GLY A 31 47.525 -24.053 -9.008 1.00 0.00 C ATOM 451 O GLY A 31 46.418 -24.207 -9.525 1.00 0.00 O ATOM 0 H GLY A 31 47.237 -22.288 -10.976 1.00 0.00 H new ATOM 0 HA2 GLY A 31 49.478 -23.879 -9.862 1.00 0.00 H new ATOM 0 HA3 GLY A 31 48.909 -22.423 -9.070 1.00 0.00 H new ATOM 455 N PHE A 32 47.848 -24.567 -7.826 1.00 0.00 N ATOM 456 CA PHE A 32 46.901 -25.361 -7.052 1.00 0.00 C ATOM 457 C PHE A 32 46.896 -24.928 -5.589 1.00 0.00 C ATOM 458 O PHE A 32 47.895 -24.420 -5.078 1.00 0.00 O ATOM 459 CB PHE A 32 47.246 -26.848 -7.154 1.00 0.00 C ATOM 460 CG PHE A 32 46.964 -27.437 -8.507 1.00 0.00 C ATOM 461 CD1 PHE A 32 45.667 -27.747 -8.885 1.00 0.00 C ATOM 462 CD2 PHE A 32 47.994 -27.681 -9.400 1.00 0.00 C ATOM 463 CE1 PHE A 32 45.405 -28.291 -10.128 1.00 0.00 C ATOM 464 CE2 PHE A 32 47.738 -28.223 -10.645 1.00 0.00 C ATOM 465 CZ PHE A 32 46.441 -28.528 -11.010 1.00 0.00 C ATOM 0 H PHE A 32 48.759 -24.448 -7.383 1.00 0.00 H new ATOM 0 HA PHE A 32 45.906 -25.197 -7.465 1.00 0.00 H new ATOM 0 HB2 PHE A 32 48.302 -26.985 -6.920 1.00 0.00 H new ATOM 0 HB3 PHE A 32 46.679 -27.397 -6.402 1.00 0.00 H new ATOM 0 HD1 PHE A 32 44.852 -27.561 -8.201 1.00 0.00 H new ATOM 0 HD2 PHE A 32 49.010 -27.445 -9.120 1.00 0.00 H new ATOM 0 HE1 PHE A 32 44.390 -28.531 -10.410 1.00 0.00 H new ATOM 0 HE2 PHE A 32 48.551 -28.408 -11.332 1.00 0.00 H new ATOM 0 HZ PHE A 32 46.238 -28.951 -11.983 1.00 0.00 H new ATOM 475 N ILE A 33 45.765 -25.131 -4.922 1.00 0.00 N ATOM 476 CA ILE A 33 45.630 -24.762 -3.518 1.00 0.00 C ATOM 477 C ILE A 33 45.229 -25.965 -2.670 1.00 0.00 C ATOM 478 O ILE A 33 44.382 -26.763 -3.069 1.00 0.00 O ATOM 479 CB ILE A 33 44.589 -23.644 -3.327 1.00 0.00 C ATOM 480 CG1 ILE A 33 44.980 -22.409 -4.141 1.00 0.00 C ATOM 481 CG2 ILE A 33 44.453 -23.292 -1.853 1.00 0.00 C ATOM 482 CD1 ILE A 33 43.853 -21.414 -4.310 1.00 0.00 C ATOM 0 H ILE A 33 44.929 -25.549 -5.331 1.00 0.00 H new ATOM 0 HA ILE A 33 46.605 -24.399 -3.192 1.00 0.00 H new ATOM 0 HB ILE A 33 43.624 -24.002 -3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 33 45.820 -21.914 -3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 33 45.324 -22.727 -5.125 1.00 0.00 H new ATOM 0 HG21 ILE A 33 43.713 -22.500 -1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 33 44.133 -24.173 -1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 33 45.415 -22.950 -1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 33 44.202 -20.565 -4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 33 43.019 -21.892 -4.824 1.00 0.00 H new ATOM 0 HD13 ILE A 33 43.524 -21.067 -3.330 1.00 0.00 H new ATOM 494 N GLU A 34 45.843 -26.086 -1.497 1.00 0.00 N ATOM 495 CA GLU A 34 45.549 -27.191 -0.592 1.00 0.00 C ATOM 496 C GLU A 34 44.710 -26.716 0.591 1.00 0.00 C ATOM 497 O GLU A 34 45.170 -25.926 1.417 1.00 0.00 O ATOM 498 CB GLU A 34 46.847 -27.826 -0.089 1.00 0.00 C ATOM 499 CG GLU A 34 47.062 -29.246 -0.586 1.00 0.00 C ATOM 500 CD GLU A 34 48.424 -29.796 -0.210 1.00 0.00 C ATOM 501 OE1 GLU A 34 48.884 -29.520 0.918 1.00 0.00 O ATOM 502 OE2 GLU A 34 49.030 -30.502 -1.043 1.00 0.00 O ATOM 0 H GLU A 34 46.546 -25.433 -1.152 1.00 0.00 H new ATOM 0 HA GLU A 34 44.978 -27.938 -1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 34 47.689 -27.209 -0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.842 -27.828 1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 34 46.287 -29.892 -0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 34 46.952 -29.268 -1.670 1.00 0.00 H new ATOM 509 N THR A 35 43.476 -27.204 0.667 1.00 0.00 N ATOM 510 CA THR A 35 42.571 -26.829 1.747 1.00 0.00 C ATOM 511 C THR A 35 43.109 -27.286 3.098 1.00 0.00 C ATOM 512 O THR A 35 44.032 -28.098 3.167 1.00 0.00 O ATOM 513 CB THR A 35 41.168 -27.428 1.537 1.00 0.00 C ATOM 514 OG1 THR A 35 41.259 -28.847 1.376 1.00 0.00 O ATOM 515 CG2 THR A 35 40.496 -26.816 0.317 1.00 0.00 C ATOM 0 H THR A 35 43.080 -27.860 -0.006 1.00 0.00 H new ATOM 0 HA THR A 35 42.499 -25.741 1.736 1.00 0.00 H new ATOM 0 HB THR A 35 40.565 -27.201 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 35 41.536 -29.055 0.459 1.00 0.00 H new ATOM 0 HG21 THR A 35 39.506 -27.254 0.189 1.00 0.00 H new ATOM 0 HG22 THR A 35 40.401 -25.739 0.456 1.00 0.00 H new ATOM 0 HG23 THR A 35 41.099 -27.015 -0.569 1.00 0.00 H new ATOM 523 N ALA A 36 42.526 -26.761 4.170 1.00 0.00 N ATOM 524 CA ALA A 36 42.945 -27.118 5.520 1.00 0.00 C ATOM 525 C ALA A 36 42.744 -28.607 5.782 1.00 0.00 C ATOM 526 O ALA A 36 43.517 -29.229 6.509 1.00 0.00 O ATOM 527 CB ALA A 36 42.183 -26.292 6.545 1.00 0.00 C ATOM 0 H ALA A 36 41.762 -26.087 4.130 1.00 0.00 H new ATOM 0 HA ALA A 36 44.009 -26.900 5.613 1.00 0.00 H new ATOM 0 HB1 ALA A 36 42.506 -26.569 7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 36 42.382 -25.233 6.379 1.00 0.00 H new ATOM 0 HB3 ALA A 36 41.114 -26.481 6.443 1.00 0.00 H new ATOM 533 N ASN A 37 41.700 -29.172 5.184 1.00 0.00 N ATOM 534 CA ASN A 37 41.397 -30.589 5.355 1.00 0.00 C ATOM 535 C ASN A 37 42.409 -31.455 4.610 1.00 0.00 C ATOM 536 O ASN A 37 42.619 -32.618 4.955 1.00 0.00 O ATOM 537 CB ASN A 37 39.983 -30.893 4.855 1.00 0.00 C ATOM 538 CG ASN A 37 39.298 -31.968 5.676 1.00 0.00 C ATOM 539 OD1 ASN A 37 39.904 -32.564 6.567 1.00 0.00 O ATOM 540 ND2 ASN A 37 38.029 -32.220 5.379 1.00 0.00 N ATOM 0 H ASN A 37 41.050 -28.671 4.578 1.00 0.00 H new ATOM 0 HA ASN A 37 41.458 -30.823 6.418 1.00 0.00 H new ATOM 0 HB2 ASN A 37 39.386 -29.981 4.885 1.00 0.00 H new ATOM 0 HB3 ASN A 37 40.029 -31.210 3.813 1.00 0.00 H new ATOM 0 HD21 ASN A 37 37.516 -32.933 5.898 1.00 0.00 H new ATOM 0 HD22 ASN A 37 37.567 -31.701 4.632 1.00 0.00 H new ATOM 547 N HIS A 38 43.033 -30.879 3.587 1.00 0.00 N ATOM 548 CA HIS A 38 44.024 -31.598 2.794 1.00 0.00 C ATOM 549 C HIS A 38 43.389 -32.787 2.079 1.00 0.00 C ATOM 550 O HIS A 38 44.015 -33.835 1.922 1.00 0.00 O ATOM 551 CB HIS A 38 45.171 -32.077 3.685 1.00 0.00 C ATOM 552 CG HIS A 38 46.473 -32.220 2.960 1.00 0.00 C ATOM 553 ND1 HIS A 38 46.561 -32.609 1.640 1.00 0.00 N ATOM 554 CD2 HIS A 38 47.745 -32.022 3.377 1.00 0.00 C ATOM 555 CE1 HIS A 38 47.830 -32.646 1.277 1.00 0.00 C ATOM 556 NE2 HIS A 38 48.570 -32.293 2.313 1.00 0.00 N ATOM 0 H HIS A 38 42.870 -29.917 3.288 1.00 0.00 H new ATOM 0 HA HIS A 38 44.419 -30.913 2.043 1.00 0.00 H new ATOM 0 HB2 HIS A 38 45.298 -31.374 4.508 1.00 0.00 H new ATOM 0 HB3 HIS A 38 44.902 -33.037 4.125 1.00 0.00 H new ATOM 0 HD1 HIS A 38 45.769 -32.833 1.038 1.00 0.00 H new ATOM 0 HD2 HIS A 38 48.054 -31.709 4.363 1.00 0.00 H new ATOM 0 HE1 HIS A 38 48.200 -32.918 0.300 1.00 0.00 H new ATOM 564 N ASP A 39 42.144 -32.615 1.648 1.00 0.00 N ATOM 565 CA ASP A 39 41.425 -33.674 0.949 1.00 0.00 C ATOM 566 C ASP A 39 41.052 -33.236 -0.464 1.00 0.00 C ATOM 567 O ASP A 39 40.982 -34.054 -1.381 1.00 0.00 O ATOM 568 CB ASP A 39 40.165 -34.062 1.725 1.00 0.00 C ATOM 569 CG ASP A 39 40.193 -35.504 2.192 1.00 0.00 C ATOM 570 OD1 ASP A 39 40.521 -36.387 1.371 1.00 0.00 O ATOM 571 OD2 ASP A 39 39.889 -35.750 3.377 1.00 0.00 O ATOM 0 H ASP A 39 41.612 -31.753 1.770 1.00 0.00 H new ATOM 0 HA ASP A 39 42.082 -34.541 0.880 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.057 -33.406 2.589 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.290 -33.905 1.094 1.00 0.00 H new ATOM 576 N LYS A 40 40.813 -31.940 -0.632 1.00 0.00 N ATOM 577 CA LYS A 40 40.448 -31.391 -1.933 1.00 0.00 C ATOM 578 C LYS A 40 41.406 -30.278 -2.343 1.00 0.00 C ATOM 579 O LYS A 40 42.087 -29.693 -1.501 1.00 0.00 O ATOM 580 CB LYS A 40 39.013 -30.859 -1.900 1.00 0.00 C ATOM 581 CG LYS A 40 38.330 -30.867 -3.257 1.00 0.00 C ATOM 582 CD LYS A 40 36.866 -30.478 -3.146 1.00 0.00 C ATOM 583 CE LYS A 40 35.963 -31.702 -3.137 1.00 0.00 C ATOM 584 NZ LYS A 40 34.654 -31.421 -2.485 1.00 0.00 N ATOM 0 H LYS A 40 40.865 -31.250 0.117 1.00 0.00 H new ATOM 0 HA LYS A 40 40.515 -32.192 -2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 40 38.427 -31.460 -1.204 1.00 0.00 H new ATOM 0 HB3 LYS A 40 39.021 -29.840 -1.513 1.00 0.00 H new ATOM 0 HG2 LYS A 40 38.841 -30.176 -3.927 1.00 0.00 H new ATOM 0 HG3 LYS A 40 38.411 -31.859 -3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 40 36.710 -29.902 -2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 40 36.596 -29.831 -3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 40 35.794 -32.036 -4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 40 36.462 -32.517 -2.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 34.068 -32.280 -2.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 34.813 -31.126 -1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 34.166 -30.660 -3.000 1.00 0.00 H new ATOM 598 N GLU A 41 41.451 -29.989 -3.639 1.00 0.00 N ATOM 599 CA GLU A 41 42.326 -28.944 -4.159 1.00 0.00 C ATOM 600 C GLU A 41 41.537 -27.938 -4.991 1.00 0.00 C ATOM 601 O GLU A 41 40.356 -28.142 -5.276 1.00 0.00 O ATOM 602 CB GLU A 41 43.443 -29.558 -5.005 1.00 0.00 C ATOM 603 CG GLU A 41 44.226 -30.643 -4.285 1.00 0.00 C ATOM 604 CD GLU A 41 45.288 -31.276 -5.163 1.00 0.00 C ATOM 605 OE1 GLU A 41 44.942 -31.750 -6.265 1.00 0.00 O ATOM 606 OE2 GLU A 41 46.465 -31.298 -4.746 1.00 0.00 O ATOM 0 H GLU A 41 40.892 -30.463 -4.348 1.00 0.00 H new ATOM 0 HA GLU A 41 42.768 -28.421 -3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 41 43.011 -29.976 -5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 41 44.130 -28.769 -5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 41 44.698 -30.218 -3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 41 43.538 -31.415 -3.940 1.00 0.00 H new ATOM 613 N ILE A 42 42.197 -26.851 -5.377 1.00 0.00 N ATOM 614 CA ILE A 42 41.558 -25.814 -6.177 1.00 0.00 C ATOM 615 C ILE A 42 42.370 -25.508 -7.431 1.00 0.00 C ATOM 616 O ILE A 42 43.595 -25.633 -7.436 1.00 0.00 O ATOM 617 CB ILE A 42 41.372 -24.515 -5.370 1.00 0.00 C ATOM 618 CG1 ILE A 42 40.729 -24.819 -4.015 1.00 0.00 C ATOM 619 CG2 ILE A 42 40.527 -23.521 -6.153 1.00 0.00 C ATOM 620 CD1 ILE A 42 39.327 -25.377 -4.123 1.00 0.00 C ATOM 0 H ILE A 42 43.174 -26.666 -5.149 1.00 0.00 H new ATOM 0 HA ILE A 42 40.579 -26.197 -6.465 1.00 0.00 H new ATOM 0 HB ILE A 42 42.351 -24.070 -5.195 1.00 0.00 H new ATOM 0 HG12 ILE A 42 41.354 -25.531 -3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 42 40.703 -23.905 -3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 42 40.405 -22.608 -5.570 1.00 0.00 H new ATOM 0 HG22 ILE A 42 41.022 -23.286 -7.095 1.00 0.00 H new ATOM 0 HG23 ILE A 42 39.548 -23.956 -6.356 1.00 0.00 H new ATOM 0 HD11 ILE A 42 38.934 -25.569 -3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 42 38.687 -24.657 -4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 42 39.349 -26.308 -4.689 1.00 0.00 H new ATOM 632 N PHE A 43 41.680 -25.104 -8.492 1.00 0.00 N ATOM 633 CA PHE A 43 42.337 -24.778 -9.753 1.00 0.00 C ATOM 634 C PHE A 43 42.124 -23.311 -10.114 1.00 0.00 C ATOM 635 O PHE A 43 40.991 -22.836 -10.184 1.00 0.00 O ATOM 636 CB PHE A 43 41.807 -25.674 -10.875 1.00 0.00 C ATOM 637 CG PHE A 43 42.533 -25.496 -12.177 1.00 0.00 C ATOM 638 CD1 PHE A 43 42.211 -24.450 -13.028 1.00 0.00 C ATOM 639 CD2 PHE A 43 43.537 -26.374 -12.552 1.00 0.00 C ATOM 640 CE1 PHE A 43 42.878 -24.283 -14.227 1.00 0.00 C ATOM 641 CE2 PHE A 43 44.207 -26.212 -13.750 1.00 0.00 C ATOM 642 CZ PHE A 43 43.876 -25.166 -14.589 1.00 0.00 C ATOM 0 H PHE A 43 40.666 -24.994 -8.504 1.00 0.00 H new ATOM 0 HA PHE A 43 43.406 -24.952 -9.633 1.00 0.00 H new ATOM 0 HB2 PHE A 43 41.885 -26.716 -10.564 1.00 0.00 H new ATOM 0 HB3 PHE A 43 40.748 -25.465 -11.027 1.00 0.00 H new ATOM 0 HD1 PHE A 43 41.430 -23.758 -12.751 1.00 0.00 H new ATOM 0 HD2 PHE A 43 43.799 -27.195 -11.901 1.00 0.00 H new ATOM 0 HE1 PHE A 43 42.619 -23.463 -14.880 1.00 0.00 H new ATOM 0 HE2 PHE A 43 44.989 -26.903 -14.030 1.00 0.00 H new ATOM 0 HZ PHE A 43 44.397 -25.039 -15.527 1.00 0.00 H new ATOM 652 N PHE A 44 43.223 -22.599 -10.342 1.00 0.00 N ATOM 653 CA PHE A 44 43.158 -21.186 -10.695 1.00 0.00 C ATOM 654 C PHE A 44 44.160 -20.853 -11.797 1.00 0.00 C ATOM 655 O PHE A 44 45.279 -21.368 -11.810 1.00 0.00 O ATOM 656 CB PHE A 44 43.430 -20.318 -9.464 1.00 0.00 C ATOM 657 CG PHE A 44 44.866 -20.336 -9.024 1.00 0.00 C ATOM 658 CD1 PHE A 44 45.332 -21.328 -8.176 1.00 0.00 C ATOM 659 CD2 PHE A 44 45.749 -19.360 -9.457 1.00 0.00 C ATOM 660 CE1 PHE A 44 46.653 -21.348 -7.769 1.00 0.00 C ATOM 661 CE2 PHE A 44 47.071 -19.375 -9.054 1.00 0.00 C ATOM 662 CZ PHE A 44 47.523 -20.369 -8.208 1.00 0.00 C ATOM 0 H PHE A 44 44.169 -22.977 -10.289 1.00 0.00 H new ATOM 0 HA PHE A 44 42.155 -20.976 -11.065 1.00 0.00 H new ATOM 0 HB2 PHE A 44 43.138 -19.291 -9.682 1.00 0.00 H new ATOM 0 HB3 PHE A 44 42.802 -20.661 -8.642 1.00 0.00 H new ATOM 0 HD1 PHE A 44 44.655 -22.095 -7.829 1.00 0.00 H new ATOM 0 HD2 PHE A 44 45.400 -18.579 -10.117 1.00 0.00 H new ATOM 0 HE1 PHE A 44 47.004 -22.128 -7.109 1.00 0.00 H new ATOM 0 HE2 PHE A 44 47.750 -18.610 -9.400 1.00 0.00 H new ATOM 0 HZ PHE A 44 48.555 -20.381 -7.890 1.00 0.00 H new ATOM 672 N HIS A 45 43.750 -19.990 -12.721 1.00 0.00 N ATOM 673 CA HIS A 45 44.611 -19.588 -13.827 1.00 0.00 C ATOM 674 C HIS A 45 45.374 -18.312 -13.486 1.00 0.00 C ATOM 675 O HIS A 45 44.883 -17.463 -12.742 1.00 0.00 O ATOM 676 CB HIS A 45 43.783 -19.378 -15.095 1.00 0.00 C ATOM 677 CG HIS A 45 44.210 -20.244 -16.240 1.00 0.00 C ATOM 678 ND1 HIS A 45 45.446 -20.139 -16.843 1.00 0.00 N ATOM 679 CD2 HIS A 45 43.558 -21.236 -16.891 1.00 0.00 C ATOM 680 CE1 HIS A 45 45.535 -21.028 -17.817 1.00 0.00 C ATOM 681 NE2 HIS A 45 44.403 -21.707 -17.866 1.00 0.00 N ATOM 0 H HIS A 45 42.827 -19.556 -12.726 1.00 0.00 H new ATOM 0 HA HIS A 45 45.333 -20.386 -14.001 1.00 0.00 H new ATOM 0 HB2 HIS A 45 42.735 -19.576 -14.871 1.00 0.00 H new ATOM 0 HB3 HIS A 45 43.853 -18.333 -15.395 1.00 0.00 H new ATOM 0 HD2 HIS A 45 42.559 -21.591 -16.683 1.00 0.00 H new ATOM 0 HE1 HIS A 45 46.388 -21.174 -18.463 1.00 0.00 H new ATOM 0 HE2 HIS A 45 44.191 -22.459 -18.522 1.00 0.00 H new ATOM 689 N TYR A 46 46.577 -18.183 -14.036 1.00 0.00 N ATOM 690 CA TYR A 46 47.409 -17.012 -13.787 1.00 0.00 C ATOM 691 C TYR A 46 46.649 -15.727 -14.104 1.00 0.00 C ATOM 692 O TYR A 46 46.775 -14.728 -13.396 1.00 0.00 O ATOM 693 CB TYR A 46 48.687 -17.081 -14.624 1.00 0.00 C ATOM 694 CG TYR A 46 49.875 -17.634 -13.870 1.00 0.00 C ATOM 695 CD1 TYR A 46 49.776 -18.815 -13.146 1.00 0.00 C ATOM 696 CD2 TYR A 46 51.098 -16.974 -13.882 1.00 0.00 C ATOM 697 CE1 TYR A 46 50.859 -19.323 -12.455 1.00 0.00 C ATOM 698 CE2 TYR A 46 52.187 -17.475 -13.195 1.00 0.00 C ATOM 699 CZ TYR A 46 52.062 -18.649 -12.483 1.00 0.00 C ATOM 700 OH TYR A 46 53.144 -19.152 -11.797 1.00 0.00 O ATOM 0 H TYR A 46 46.997 -18.875 -14.657 1.00 0.00 H new ATOM 0 HA TYR A 46 47.675 -17.005 -12.730 1.00 0.00 H new ATOM 0 HB2 TYR A 46 48.504 -17.701 -15.502 1.00 0.00 H new ATOM 0 HB3 TYR A 46 48.929 -16.081 -14.985 1.00 0.00 H new ATOM 0 HD1 TYR A 46 48.836 -19.346 -13.123 1.00 0.00 H new ATOM 0 HD2 TYR A 46 51.199 -16.054 -14.438 1.00 0.00 H new ATOM 0 HE1 TYR A 46 50.764 -20.242 -11.896 1.00 0.00 H new ATOM 0 HE2 TYR A 46 53.131 -16.950 -13.216 1.00 0.00 H new ATOM 0 HH TYR A 46 53.363 -20.044 -12.140 1.00 0.00 H new ATOM 710 N SER A 47 45.860 -15.762 -15.173 1.00 0.00 N ATOM 711 CA SER A 47 45.082 -14.600 -15.587 1.00 0.00 C ATOM 712 C SER A 47 44.016 -14.262 -14.549 1.00 0.00 C ATOM 713 O SER A 47 43.638 -13.103 -14.388 1.00 0.00 O ATOM 714 CB SER A 47 44.425 -14.858 -16.944 1.00 0.00 C ATOM 715 OG SER A 47 43.425 -13.891 -17.219 1.00 0.00 O ATOM 0 H SER A 47 45.743 -16.582 -15.768 1.00 0.00 H new ATOM 0 HA SER A 47 45.760 -13.751 -15.675 1.00 0.00 H new ATOM 0 HB2 SER A 47 45.182 -14.836 -17.728 1.00 0.00 H new ATOM 0 HB3 SER A 47 43.984 -15.855 -16.954 1.00 0.00 H new ATOM 0 HG SER A 47 43.021 -14.077 -18.092 1.00 0.00 H new ATOM 721 N GLU A 48 43.537 -15.285 -13.848 1.00 0.00 N ATOM 722 CA GLU A 48 42.514 -15.097 -12.825 1.00 0.00 C ATOM 723 C GLU A 48 43.114 -14.487 -11.561 1.00 0.00 C ATOM 724 O GLU A 48 42.430 -13.795 -10.808 1.00 0.00 O ATOM 725 CB GLU A 48 41.843 -16.431 -12.493 1.00 0.00 C ATOM 726 CG GLU A 48 41.011 -16.994 -13.633 1.00 0.00 C ATOM 727 CD GLU A 48 39.969 -17.988 -13.158 1.00 0.00 C ATOM 728 OE1 GLU A 48 40.272 -18.771 -12.234 1.00 0.00 O ATOM 729 OE2 GLU A 48 38.849 -17.983 -13.712 1.00 0.00 O ATOM 0 H GLU A 48 43.840 -16.251 -13.969 1.00 0.00 H new ATOM 0 HA GLU A 48 41.765 -14.410 -13.218 1.00 0.00 H new ATOM 0 HB2 GLU A 48 42.610 -17.156 -12.222 1.00 0.00 H new ATOM 0 HB3 GLU A 48 41.205 -16.300 -11.619 1.00 0.00 H new ATOM 0 HG2 GLU A 48 40.516 -16.175 -14.155 1.00 0.00 H new ATOM 0 HG3 GLU A 48 41.669 -17.480 -14.353 1.00 0.00 H new ATOM 736 N PHE A 49 44.397 -14.751 -11.336 1.00 0.00 N ATOM 737 CA PHE A 49 45.089 -14.230 -10.163 1.00 0.00 C ATOM 738 C PHE A 49 45.445 -12.758 -10.350 1.00 0.00 C ATOM 739 O PHE A 49 46.136 -12.392 -11.301 1.00 0.00 O ATOM 740 CB PHE A 49 46.357 -15.043 -9.890 1.00 0.00 C ATOM 741 CG PHE A 49 46.952 -14.789 -8.535 1.00 0.00 C ATOM 742 CD1 PHE A 49 47.621 -13.605 -8.268 1.00 0.00 C ATOM 743 CD2 PHE A 49 46.843 -15.734 -7.528 1.00 0.00 C ATOM 744 CE1 PHE A 49 48.169 -13.368 -7.022 1.00 0.00 C ATOM 745 CE2 PHE A 49 47.389 -15.503 -6.279 1.00 0.00 C ATOM 746 CZ PHE A 49 48.054 -14.319 -6.026 1.00 0.00 C ATOM 0 H PHE A 49 44.978 -15.322 -11.950 1.00 0.00 H new ATOM 0 HA PHE A 49 44.419 -14.317 -9.308 1.00 0.00 H new ATOM 0 HB2 PHE A 49 46.126 -16.104 -9.983 1.00 0.00 H new ATOM 0 HB3 PHE A 49 47.099 -14.810 -10.653 1.00 0.00 H new ATOM 0 HD1 PHE A 49 47.715 -12.859 -9.043 1.00 0.00 H new ATOM 0 HD2 PHE A 49 46.325 -16.662 -7.721 1.00 0.00 H new ATOM 0 HE1 PHE A 49 48.687 -12.441 -6.827 1.00 0.00 H new ATOM 0 HE2 PHE A 49 47.296 -16.247 -5.502 1.00 0.00 H new ATOM 0 HZ PHE A 49 48.483 -14.137 -5.052 1.00 0.00 H new ATOM 756 N SER A 50 44.968 -11.920 -9.436 1.00 0.00 N ATOM 757 CA SER A 50 45.232 -10.487 -9.502 1.00 0.00 C ATOM 758 C SER A 50 46.315 -10.087 -8.504 1.00 0.00 C ATOM 759 O SER A 50 46.112 -10.149 -7.293 1.00 0.00 O ATOM 760 CB SER A 50 43.951 -9.698 -9.224 1.00 0.00 C ATOM 761 OG SER A 50 44.108 -8.332 -9.569 1.00 0.00 O ATOM 0 H SER A 50 44.397 -12.208 -8.641 1.00 0.00 H new ATOM 0 HA SER A 50 45.584 -10.254 -10.507 1.00 0.00 H new ATOM 0 HB2 SER A 50 43.125 -10.127 -9.792 1.00 0.00 H new ATOM 0 HB3 SER A 50 43.690 -9.782 -8.169 1.00 0.00 H new ATOM 0 HG SER A 50 43.275 -7.850 -9.384 1.00 0.00 H new ATOM 767 N GLY A 51 47.468 -9.677 -9.025 1.00 0.00 N ATOM 768 CA GLY A 51 48.567 -9.274 -8.167 1.00 0.00 C ATOM 769 C GLY A 51 49.887 -9.889 -8.589 1.00 0.00 C ATOM 770 O GLY A 51 50.198 -9.954 -9.778 1.00 0.00 O ATOM 0 H GLY A 51 47.660 -9.617 -10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 51 48.655 -8.188 -8.180 1.00 0.00 H new ATOM 0 HA3 GLY A 51 48.347 -9.563 -7.139 1.00 0.00 H new ATOM 774 N ASP A 52 50.666 -10.340 -7.612 1.00 0.00 N ATOM 775 CA ASP A 52 51.960 -10.952 -7.887 1.00 0.00 C ATOM 776 C ASP A 52 51.876 -12.472 -7.783 1.00 0.00 C ATOM 777 O ASP A 52 52.156 -13.049 -6.732 1.00 0.00 O ATOM 778 CB ASP A 52 53.017 -10.420 -6.918 1.00 0.00 C ATOM 779 CG ASP A 52 53.889 -9.349 -7.543 1.00 0.00 C ATOM 780 OD1 ASP A 52 53.334 -8.344 -8.036 1.00 0.00 O ATOM 781 OD2 ASP A 52 55.126 -9.514 -7.538 1.00 0.00 O ATOM 0 H ASP A 52 50.424 -10.293 -6.622 1.00 0.00 H new ATOM 0 HA ASP A 52 52.248 -10.691 -8.905 1.00 0.00 H new ATOM 0 HB2 ASP A 52 52.524 -10.013 -6.035 1.00 0.00 H new ATOM 0 HB3 ASP A 52 53.645 -11.245 -6.581 1.00 0.00 H new ATOM 786 N VAL A 53 51.487 -13.114 -8.879 1.00 0.00 N ATOM 787 CA VAL A 53 51.365 -14.567 -8.912 1.00 0.00 C ATOM 788 C VAL A 53 52.735 -15.231 -8.993 1.00 0.00 C ATOM 789 O VAL A 53 52.907 -16.376 -8.574 1.00 0.00 O ATOM 790 CB VAL A 53 50.509 -15.032 -10.105 1.00 0.00 C ATOM 791 CG1 VAL A 53 51.154 -14.616 -11.418 1.00 0.00 C ATOM 792 CG2 VAL A 53 50.302 -16.538 -10.056 1.00 0.00 C ATOM 0 H VAL A 53 51.251 -12.651 -9.757 1.00 0.00 H new ATOM 0 HA VAL A 53 50.874 -14.865 -7.985 1.00 0.00 H new ATOM 0 HB VAL A 53 49.533 -14.552 -10.040 1.00 0.00 H new ATOM 0 HG11 VAL A 53 50.536 -14.953 -12.250 1.00 0.00 H new ATOM 0 HG12 VAL A 53 51.246 -13.530 -11.450 1.00 0.00 H new ATOM 0 HG13 VAL A 53 52.144 -15.066 -11.496 1.00 0.00 H new ATOM 0 HG21 VAL A 53 49.695 -16.850 -10.906 1.00 0.00 H new ATOM 0 HG22 VAL A 53 51.269 -17.040 -10.097 1.00 0.00 H new ATOM 0 HG23 VAL A 53 49.793 -16.805 -9.130 1.00 0.00 H new ATOM 802 N ASP A 54 53.707 -14.506 -9.534 1.00 0.00 N ATOM 803 CA ASP A 54 55.063 -15.024 -9.669 1.00 0.00 C ATOM 804 C ASP A 54 55.788 -15.007 -8.327 1.00 0.00 C ATOM 805 O ASP A 54 56.440 -15.981 -7.950 1.00 0.00 O ATOM 806 CB ASP A 54 55.846 -14.203 -10.695 1.00 0.00 C ATOM 807 CG ASP A 54 56.613 -15.074 -11.670 1.00 0.00 C ATOM 808 OD1 ASP A 54 57.273 -16.032 -11.217 1.00 0.00 O ATOM 809 OD2 ASP A 54 56.554 -14.798 -12.887 1.00 0.00 O ATOM 0 H ASP A 54 53.581 -13.557 -9.886 1.00 0.00 H new ATOM 0 HA ASP A 54 54.998 -16.056 -10.014 1.00 0.00 H new ATOM 0 HB2 ASP A 54 55.157 -13.565 -11.247 1.00 0.00 H new ATOM 0 HB3 ASP A 54 56.542 -13.545 -10.175 1.00 0.00 H new ATOM 814 N SER A 55 55.670 -13.894 -7.610 1.00 0.00 N ATOM 815 CA SER A 55 56.317 -13.748 -6.312 1.00 0.00 C ATOM 816 C SER A 55 55.848 -14.832 -5.346 1.00 0.00 C ATOM 817 O SER A 55 56.572 -15.216 -4.426 1.00 0.00 O ATOM 818 CB SER A 55 56.025 -12.365 -5.725 1.00 0.00 C ATOM 819 OG SER A 55 54.947 -12.418 -4.807 1.00 0.00 O ATOM 0 H SER A 55 55.132 -13.080 -7.907 1.00 0.00 H new ATOM 0 HA SER A 55 57.392 -13.854 -6.456 1.00 0.00 H new ATOM 0 HB2 SER A 55 56.915 -11.984 -5.224 1.00 0.00 H new ATOM 0 HB3 SER A 55 55.788 -11.668 -6.529 1.00 0.00 H new ATOM 0 HG SER A 55 54.781 -11.523 -4.445 1.00 0.00 H new ATOM 825 N LEU A 56 54.632 -15.321 -5.561 1.00 0.00 N ATOM 826 CA LEU A 56 54.064 -16.362 -4.711 1.00 0.00 C ATOM 827 C LEU A 56 55.000 -17.562 -4.621 1.00 0.00 C ATOM 828 O LEU A 56 55.844 -17.770 -5.492 1.00 0.00 O ATOM 829 CB LEU A 56 52.702 -16.802 -5.250 1.00 0.00 C ATOM 830 CG LEU A 56 51.479 -16.213 -4.546 1.00 0.00 C ATOM 831 CD1 LEU A 56 50.199 -16.680 -5.221 1.00 0.00 C ATOM 832 CD2 LEU A 56 51.477 -16.595 -3.073 1.00 0.00 C ATOM 0 H LEU A 56 54.020 -15.013 -6.317 1.00 0.00 H new ATOM 0 HA LEU A 56 53.935 -15.949 -3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 56 52.650 -16.539 -6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 56 52.643 -17.889 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 56 51.529 -15.127 -4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 56 49.339 -16.251 -4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 56 50.198 -16.357 -6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 56 50.141 -17.768 -5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 56 50.600 -16.167 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 56 51.451 -17.681 -2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 56 52.379 -16.211 -2.596 1.00 0.00 H new ATOM 844 N GLU A 57 54.844 -18.351 -3.562 1.00 0.00 N ATOM 845 CA GLU A 57 55.675 -19.532 -3.360 1.00 0.00 C ATOM 846 C GLU A 57 54.876 -20.652 -2.700 1.00 0.00 C ATOM 847 O GLU A 57 53.664 -20.539 -2.511 1.00 0.00 O ATOM 848 CB GLU A 57 56.893 -19.185 -2.501 1.00 0.00 C ATOM 849 CG GLU A 57 56.561 -18.967 -1.034 1.00 0.00 C ATOM 850 CD GLU A 57 57.689 -18.296 -0.275 1.00 0.00 C ATOM 851 OE1 GLU A 57 58.844 -18.756 -0.399 1.00 0.00 O ATOM 852 OE2 GLU A 57 57.418 -17.312 0.444 1.00 0.00 O ATOM 0 H GLU A 57 54.150 -18.193 -2.831 1.00 0.00 H new ATOM 0 HA GLU A 57 56.015 -19.878 -4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 57 57.626 -19.988 -2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 57 57.361 -18.284 -2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 57 55.661 -18.356 -0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 57 56.336 -19.927 -0.570 1.00 0.00 H new ATOM 859 N LEU A 58 55.564 -21.734 -2.352 1.00 0.00 N ATOM 860 CA LEU A 58 54.920 -22.877 -1.713 1.00 0.00 C ATOM 861 C LEU A 58 54.709 -22.622 -0.224 1.00 0.00 C ATOM 862 O LEU A 58 55.663 -22.393 0.518 1.00 0.00 O ATOM 863 CB LEU A 58 55.762 -24.139 -1.911 1.00 0.00 C ATOM 864 CG LEU A 58 55.820 -24.690 -3.337 1.00 0.00 C ATOM 865 CD1 LEU A 58 56.748 -25.893 -3.406 1.00 0.00 C ATOM 866 CD2 LEU A 58 54.426 -25.060 -3.823 1.00 0.00 C ATOM 0 H LEU A 58 56.567 -21.844 -2.501 1.00 0.00 H new ATOM 0 HA LEU A 58 53.946 -23.020 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 58 56.780 -23.928 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 58 55.371 -24.919 -1.257 1.00 0.00 H new ATOM 0 HG LEU A 58 56.216 -23.913 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 58 56.777 -26.272 -4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 58 57.751 -25.597 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 58 56.382 -26.674 -2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 58 54.487 -25.450 -4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 58 54.002 -25.820 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 58 53.790 -24.175 -3.811 1.00 0.00 H new ATOM 878 N GLY A 59 53.451 -22.664 0.206 1.00 0.00 N ATOM 879 CA GLY A 59 53.138 -22.437 1.604 1.00 0.00 C ATOM 880 C GLY A 59 52.431 -21.116 1.833 1.00 0.00 C ATOM 881 O GLY A 59 51.664 -20.971 2.786 1.00 0.00 O ATOM 0 H GLY A 59 52.644 -22.851 -0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 59 52.510 -23.250 1.969 1.00 0.00 H new ATOM 0 HA3 GLY A 59 54.059 -22.459 2.187 1.00 0.00 H new ATOM 885 N ASP A 60 52.689 -20.150 0.959 1.00 0.00 N ATOM 886 CA ASP A 60 52.072 -18.833 1.071 1.00 0.00 C ATOM 887 C ASP A 60 50.553 -18.949 1.141 1.00 0.00 C ATOM 888 O ASP A 60 49.971 -19.918 0.654 1.00 0.00 O ATOM 889 CB ASP A 60 52.474 -17.956 -0.116 1.00 0.00 C ATOM 890 CG ASP A 60 53.307 -16.760 0.304 1.00 0.00 C ATOM 891 OD1 ASP A 60 54.503 -16.948 0.609 1.00 0.00 O ATOM 892 OD2 ASP A 60 52.762 -15.637 0.326 1.00 0.00 O ATOM 0 H ASP A 60 53.321 -20.254 0.165 1.00 0.00 H new ATOM 0 HA ASP A 60 52.426 -18.370 1.992 1.00 0.00 H new ATOM 0 HB2 ASP A 60 53.038 -18.554 -0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 60 51.577 -17.608 -0.628 1.00 0.00 H new ATOM 897 N MET A 61 49.916 -17.955 1.753 1.00 0.00 N ATOM 898 CA MET A 61 48.464 -17.947 1.888 1.00 0.00 C ATOM 899 C MET A 61 47.818 -17.154 0.756 1.00 0.00 C ATOM 900 O MET A 61 48.385 -16.177 0.266 1.00 0.00 O ATOM 901 CB MET A 61 48.059 -17.352 3.238 1.00 0.00 C ATOM 902 CG MET A 61 47.425 -18.362 4.181 1.00 0.00 C ATOM 903 SD MET A 61 47.376 -17.783 5.888 1.00 0.00 S ATOM 904 CE MET A 61 48.988 -18.306 6.469 1.00 0.00 C ATOM 0 H MET A 61 50.382 -17.146 2.163 1.00 0.00 H new ATOM 0 HA MET A 61 48.113 -18.978 1.833 1.00 0.00 H new ATOM 0 HB2 MET A 61 48.940 -16.924 3.716 1.00 0.00 H new ATOM 0 HB3 MET A 61 47.358 -16.534 3.070 1.00 0.00 H new ATOM 0 HG2 MET A 61 46.411 -18.579 3.846 1.00 0.00 H new ATOM 0 HG3 MET A 61 47.983 -19.297 4.134 1.00 0.00 H new ATOM 0 HE1 MET A 61 49.367 -17.582 7.191 1.00 0.00 H new ATOM 0 HE2 MET A 61 48.904 -19.283 6.945 1.00 0.00 H new ATOM 0 HE3 MET A 61 49.675 -18.371 5.625 1.00 0.00 H new ATOM 914 N VAL A 62 46.628 -17.581 0.344 1.00 0.00 N ATOM 915 CA VAL A 62 45.905 -16.910 -0.730 1.00 0.00 C ATOM 916 C VAL A 62 44.401 -16.946 -0.485 1.00 0.00 C ATOM 917 O VAL A 62 43.874 -17.917 0.056 1.00 0.00 O ATOM 918 CB VAL A 62 46.207 -17.553 -2.097 1.00 0.00 C ATOM 919 CG1 VAL A 62 47.632 -17.241 -2.530 1.00 0.00 C ATOM 920 CG2 VAL A 62 45.974 -19.055 -2.042 1.00 0.00 C ATOM 0 H VAL A 62 46.145 -18.388 0.738 1.00 0.00 H new ATOM 0 HA VAL A 62 46.244 -15.874 -0.741 1.00 0.00 H new ATOM 0 HB VAL A 62 45.527 -17.130 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 62 47.828 -17.703 -3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 62 47.760 -16.162 -2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 62 48.331 -17.635 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 62 46.192 -19.493 -3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 62 46.628 -19.497 -1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 62 44.935 -19.253 -1.780 1.00 0.00 H new ATOM 930 N GLU A 63 43.715 -15.881 -0.889 1.00 0.00 N ATOM 931 CA GLU A 63 42.271 -15.791 -0.713 1.00 0.00 C ATOM 932 C GLU A 63 41.543 -16.101 -2.018 1.00 0.00 C ATOM 933 O GLU A 63 41.953 -15.655 -3.090 1.00 0.00 O ATOM 934 CB GLU A 63 41.880 -14.397 -0.217 1.00 0.00 C ATOM 935 CG GLU A 63 40.830 -14.414 0.881 1.00 0.00 C ATOM 936 CD GLU A 63 39.641 -13.528 0.563 1.00 0.00 C ATOM 937 OE1 GLU A 63 39.110 -13.629 -0.563 1.00 0.00 O ATOM 938 OE2 GLU A 63 39.241 -12.734 1.440 1.00 0.00 O ATOM 0 H GLU A 63 44.136 -15.069 -1.340 1.00 0.00 H new ATOM 0 HA GLU A 63 41.976 -16.530 0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 63 42.771 -13.889 0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 63 41.505 -13.813 -1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 63 40.486 -15.437 1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 63 41.283 -14.087 1.817 1.00 0.00 H new ATOM 945 N TYR A 64 40.463 -16.868 -1.919 1.00 0.00 N ATOM 946 CA TYR A 64 39.680 -17.240 -3.091 1.00 0.00 C ATOM 947 C TYR A 64 38.238 -17.558 -2.704 1.00 0.00 C ATOM 948 O TYR A 64 37.893 -17.590 -1.523 1.00 0.00 O ATOM 949 CB TYR A 64 40.310 -18.446 -3.789 1.00 0.00 C ATOM 950 CG TYR A 64 40.272 -19.712 -2.964 1.00 0.00 C ATOM 951 CD1 TYR A 64 39.179 -20.568 -3.020 1.00 0.00 C ATOM 952 CD2 TYR A 64 41.329 -20.053 -2.129 1.00 0.00 C ATOM 953 CE1 TYR A 64 39.140 -21.726 -2.267 1.00 0.00 C ATOM 954 CE2 TYR A 64 41.299 -21.209 -1.374 1.00 0.00 C ATOM 955 CZ TYR A 64 40.202 -22.042 -1.446 1.00 0.00 C ATOM 956 OH TYR A 64 40.167 -23.195 -0.696 1.00 0.00 O ATOM 0 H TYR A 64 40.110 -17.244 -1.039 1.00 0.00 H new ATOM 0 HA TYR A 64 39.675 -16.393 -3.777 1.00 0.00 H new ATOM 0 HB2 TYR A 64 39.792 -18.621 -4.732 1.00 0.00 H new ATOM 0 HB3 TYR A 64 41.346 -18.213 -4.034 1.00 0.00 H new ATOM 0 HD1 TYR A 64 38.346 -20.324 -3.663 1.00 0.00 H new ATOM 0 HD2 TYR A 64 42.189 -19.403 -2.069 1.00 0.00 H new ATOM 0 HE1 TYR A 64 38.282 -22.380 -2.321 1.00 0.00 H new ATOM 0 HE2 TYR A 64 42.130 -21.459 -0.731 1.00 0.00 H new ATOM 0 HH TYR A 64 40.992 -23.270 -0.173 1.00 0.00 H new ATOM 966 N SER A 65 37.401 -17.794 -3.709 1.00 0.00 N ATOM 967 CA SER A 65 35.996 -18.107 -3.476 1.00 0.00 C ATOM 968 C SER A 65 35.534 -19.241 -4.387 1.00 0.00 C ATOM 969 O SER A 65 36.267 -19.677 -5.276 1.00 0.00 O ATOM 970 CB SER A 65 35.131 -16.867 -3.708 1.00 0.00 C ATOM 971 OG SER A 65 35.788 -15.937 -4.551 1.00 0.00 O ATOM 0 H SER A 65 37.671 -17.774 -4.692 1.00 0.00 H new ATOM 0 HA SER A 65 35.887 -18.429 -2.440 1.00 0.00 H new ATOM 0 HB2 SER A 65 34.182 -17.161 -4.156 1.00 0.00 H new ATOM 0 HB3 SER A 65 34.901 -16.396 -2.752 1.00 0.00 H new ATOM 0 HG SER A 65 35.214 -15.154 -4.685 1.00 0.00 H new ATOM 977 N LEU A 66 34.315 -19.715 -4.158 1.00 0.00 N ATOM 978 CA LEU A 66 33.753 -20.798 -4.957 1.00 0.00 C ATOM 979 C LEU A 66 32.322 -20.479 -5.378 1.00 0.00 C ATOM 980 O LEU A 66 31.611 -19.745 -4.691 1.00 0.00 O ATOM 981 CB LEU A 66 33.784 -22.109 -4.169 1.00 0.00 C ATOM 982 CG LEU A 66 35.112 -22.453 -3.492 1.00 0.00 C ATOM 983 CD1 LEU A 66 34.959 -23.685 -2.613 1.00 0.00 C ATOM 984 CD2 LEU A 66 36.201 -22.670 -4.533 1.00 0.00 C ATOM 0 H LEU A 66 33.697 -19.367 -3.426 1.00 0.00 H new ATOM 0 HA LEU A 66 34.361 -20.906 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 66 33.009 -22.068 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 66 33.522 -22.923 -4.845 1.00 0.00 H new ATOM 0 HG LEU A 66 35.404 -21.614 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.913 -23.915 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 66 34.210 -23.493 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 66 34.644 -24.531 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 66 37.139 -22.914 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 66 35.917 -23.491 -5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 66 36.329 -21.761 -5.121 1.00 0.00 H new ATOM 1117 N SER A 75 36.633 -24.725 -9.029 1.00 0.00 N ATOM 1118 CA SER A 75 37.863 -23.966 -9.220 1.00 0.00 C ATOM 1119 C SER A 75 37.779 -22.610 -8.526 1.00 0.00 C ATOM 1120 O SER A 75 36.706 -22.185 -8.099 1.00 0.00 O ATOM 1121 CB SER A 75 38.140 -23.771 -10.712 1.00 0.00 C ATOM 1122 OG SER A 75 37.028 -24.171 -11.494 1.00 0.00 O ATOM 0 HA SER A 75 38.682 -24.532 -8.776 1.00 0.00 H new ATOM 0 HB2 SER A 75 38.369 -22.724 -10.909 1.00 0.00 H new ATOM 0 HB3 SER A 75 39.018 -24.349 -11.001 1.00 0.00 H new ATOM 0 HG SER A 75 36.356 -24.590 -10.917 1.00 0.00 H new ATOM 1128 N ALA A 76 38.920 -21.937 -8.416 1.00 0.00 N ATOM 1129 CA ALA A 76 38.976 -20.629 -7.776 1.00 0.00 C ATOM 1130 C ALA A 76 38.729 -19.512 -8.785 1.00 0.00 C ATOM 1131 O ALA A 76 38.972 -19.679 -9.979 1.00 0.00 O ATOM 1132 CB ALA A 76 40.320 -20.434 -7.089 1.00 0.00 C ATOM 0 H ALA A 76 39.818 -22.276 -8.762 1.00 0.00 H new ATOM 0 HA ALA A 76 38.187 -20.586 -7.025 1.00 0.00 H new ATOM 0 HB1 ALA A 76 40.348 -19.453 -6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 76 40.457 -21.206 -6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 76 41.119 -20.503 -7.827 1.00 0.00 H new ATOM 1138 N GLU A 77 38.244 -18.375 -8.296 1.00 0.00 N ATOM 1139 CA GLU A 77 37.962 -17.233 -9.157 1.00 0.00 C ATOM 1140 C GLU A 77 38.431 -15.934 -8.507 1.00 0.00 C ATOM 1141 O GLU A 77 38.088 -15.639 -7.362 1.00 0.00 O ATOM 1142 CB GLU A 77 36.465 -17.152 -9.462 1.00 0.00 C ATOM 1143 CG GLU A 77 35.588 -17.185 -8.221 1.00 0.00 C ATOM 1144 CD GLU A 77 34.121 -16.974 -8.539 1.00 0.00 C ATOM 1145 OE1 GLU A 77 33.762 -15.862 -8.977 1.00 0.00 O ATOM 1146 OE2 GLU A 77 33.331 -17.923 -8.348 1.00 0.00 O ATOM 0 H GLU A 77 38.038 -18.220 -7.309 1.00 0.00 H new ATOM 0 HA GLU A 77 38.508 -17.371 -10.090 1.00 0.00 H new ATOM 0 HB2 GLU A 77 36.264 -16.234 -10.014 1.00 0.00 H new ATOM 0 HB3 GLU A 77 36.190 -17.982 -10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 77 35.713 -18.144 -7.718 1.00 0.00 H new ATOM 0 HG3 GLU A 77 35.920 -16.414 -7.525 1.00 0.00 H new ATOM 1153 N LYS A 78 39.218 -15.160 -9.247 1.00 0.00 N ATOM 1154 CA LYS A 78 39.734 -13.892 -8.745 1.00 0.00 C ATOM 1155 C LYS A 78 40.569 -14.104 -7.486 1.00 0.00 C ATOM 1156 O LYS A 78 40.215 -13.629 -6.407 1.00 0.00 O ATOM 1157 CB LYS A 78 38.582 -12.929 -8.449 1.00 0.00 C ATOM 1158 CG LYS A 78 37.683 -12.671 -9.646 1.00 0.00 C ATOM 1159 CD LYS A 78 37.953 -11.310 -10.264 1.00 0.00 C ATOM 1160 CE LYS A 78 36.829 -10.888 -11.198 1.00 0.00 C ATOM 1161 NZ LYS A 78 35.722 -10.213 -10.464 1.00 0.00 N ATOM 0 H LYS A 78 39.512 -15.389 -10.196 1.00 0.00 H new ATOM 0 HA LYS A 78 40.373 -13.459 -9.515 1.00 0.00 H new ATOM 0 HB2 LYS A 78 37.981 -13.334 -7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 78 38.992 -11.981 -8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 78 37.840 -13.448 -10.394 1.00 0.00 H new ATOM 0 HG3 LYS A 78 36.639 -12.731 -9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 78 38.069 -10.568 -9.474 1.00 0.00 H new ATOM 0 HD3 LYS A 78 38.893 -11.340 -10.815 1.00 0.00 H new ATOM 0 HE2 LYS A 78 37.223 -10.215 -11.960 1.00 0.00 H new ATOM 0 HE3 LYS A 78 36.440 -11.764 -11.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 34.976 -9.941 -11.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 35.329 -10.863 -9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 36.088 -9.363 -9.990 1.00 0.00 H new ATOM 1175 N VAL A 79 41.681 -14.818 -7.632 1.00 0.00 N ATOM 1176 CA VAL A 79 42.567 -15.091 -6.507 1.00 0.00 C ATOM 1177 C VAL A 79 43.539 -13.938 -6.282 1.00 0.00 C ATOM 1178 O VAL A 79 44.049 -13.348 -7.234 1.00 0.00 O ATOM 1179 CB VAL A 79 43.368 -16.388 -6.726 1.00 0.00 C ATOM 1180 CG1 VAL A 79 44.149 -16.751 -5.472 1.00 0.00 C ATOM 1181 CG2 VAL A 79 42.442 -17.523 -7.134 1.00 0.00 C ATOM 0 H VAL A 79 41.989 -15.218 -8.518 1.00 0.00 H new ATOM 0 HA VAL A 79 41.935 -15.207 -5.626 1.00 0.00 H new ATOM 0 HB VAL A 79 44.081 -16.223 -7.534 1.00 0.00 H new ATOM 0 HG11 VAL A 79 44.709 -17.670 -5.645 1.00 0.00 H new ATOM 0 HG12 VAL A 79 44.841 -15.945 -5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 79 43.457 -16.898 -4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 79 43.025 -18.432 -7.285 1.00 0.00 H new ATOM 0 HG22 VAL A 79 41.704 -17.691 -6.349 1.00 0.00 H new ATOM 0 HG23 VAL A 79 41.932 -17.261 -8.061 1.00 0.00 H new ATOM 1191 N ASN A 80 43.792 -13.623 -5.016 1.00 0.00 N ATOM 1192 CA ASN A 80 44.703 -12.540 -4.665 1.00 0.00 C ATOM 1193 C ASN A 80 45.448 -12.853 -3.370 1.00 0.00 C ATOM 1194 O ASN A 80 44.878 -13.413 -2.434 1.00 0.00 O ATOM 1195 CB ASN A 80 43.934 -11.225 -4.519 1.00 0.00 C ATOM 1196 CG ASN A 80 42.700 -11.371 -3.650 1.00 0.00 C ATOM 1197 OD1 ASN A 80 41.619 -11.701 -4.137 1.00 0.00 O ATOM 1198 ND2 ASN A 80 42.857 -11.124 -2.354 1.00 0.00 N ATOM 0 H ASN A 80 43.379 -14.102 -4.216 1.00 0.00 H new ATOM 0 HA ASN A 80 45.433 -12.439 -5.468 1.00 0.00 H new ATOM 0 HB2 ASN A 80 44.591 -10.469 -4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 80 43.640 -10.868 -5.506 1.00 0.00 H new ATOM 0 HD21 ASN A 80 42.063 -11.205 -1.719 1.00 0.00 H new ATOM 0 HD22 ASN A 80 43.772 -10.853 -1.994 1.00 0.00 H new ATOM 1205 N LYS A 81 46.724 -12.487 -3.325 1.00 0.00 N ATOM 1206 CA LYS A 81 47.548 -12.727 -2.146 1.00 0.00 C ATOM 1207 C LYS A 81 46.971 -12.016 -0.926 1.00 0.00 C ATOM 1208 O LYS A 81 46.306 -10.987 -1.050 1.00 0.00 O ATOM 1209 CB LYS A 81 48.981 -12.253 -2.395 1.00 0.00 C ATOM 1210 CG LYS A 81 49.995 -13.383 -2.447 1.00 0.00 C ATOM 1211 CD LYS A 81 51.200 -13.091 -1.569 1.00 0.00 C ATOM 1212 CE LYS A 81 52.178 -12.152 -2.258 1.00 0.00 C ATOM 1213 NZ LYS A 81 53.589 -12.593 -2.081 1.00 0.00 N ATOM 0 H LYS A 81 47.211 -12.023 -4.092 1.00 0.00 H new ATOM 0 HA LYS A 81 47.555 -13.799 -1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 81 49.014 -11.702 -3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 81 49.266 -11.556 -1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 81 49.524 -14.311 -2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 81 50.321 -13.533 -3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 81 50.868 -12.647 -0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 81 51.705 -14.025 -1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 81 51.944 -12.101 -3.321 1.00 0.00 H new ATOM 0 HE3 LYS A 81 52.059 -11.146 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 54.083 -11.931 -1.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 53.605 -13.546 -1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 54.066 -12.611 -3.005 1.00 0.00 H new ATOM 1227 N THR A 82 47.230 -12.570 0.254 1.00 0.00 N ATOM 1228 CA THR A 82 46.737 -11.989 1.497 1.00 0.00 C ATOM 1229 C THR A 82 47.627 -12.372 2.674 1.00 0.00 C ATOM 1230 O THR A 82 47.921 -13.548 2.885 1.00 0.00 O ATOM 1231 CB THR A 82 45.293 -12.437 1.792 1.00 0.00 C ATOM 1232 OG1 THR A 82 44.829 -11.829 3.003 1.00 0.00 O ATOM 1233 CG2 THR A 82 45.211 -13.951 1.916 1.00 0.00 C ATOM 0 H THR A 82 47.779 -13.421 0.375 1.00 0.00 H new ATOM 0 HA THR A 82 46.755 -10.907 1.369 1.00 0.00 H new ATOM 0 HB THR A 82 44.661 -12.121 0.962 1.00 0.00 H new ATOM 0 HG1 THR A 82 43.910 -12.117 3.183 1.00 0.00 H new ATOM 0 HG21 THR A 82 44.182 -14.244 2.124 1.00 0.00 H new ATOM 0 HG22 THR A 82 45.537 -14.411 0.983 1.00 0.00 H new ATOM 0 HG23 THR A 82 45.855 -14.285 2.730 1.00 0.00 H new