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= -0.101 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) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0985 K(o=-0.098,f=-0.84) USER MOD Single : A 38 HIS : no HE2:sc= -0.991 K(o=-0.99,f=-1.6) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 75:sc= 1.25 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 -49:sc= 0.0943 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot -152:sc= 0.32 USER MOD Single : A 65 SER OG : rot 180:sc= -0.471 USER MOD Single : A 75 SER OG : rot -23:sc= 0.757 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.542 K(o=-0.54,f=-1.7) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 34.540 -15.628 2.514 1.00 0.00 N ATOM 232 CA ARG A 18 35.955 -15.612 2.160 1.00 0.00 C ATOM 233 C ARG A 18 36.643 -16.895 2.615 1.00 0.00 C ATOM 234 O ARG A 18 36.537 -17.291 3.777 1.00 0.00 O ATOM 235 CB ARG A 18 36.646 -14.400 2.788 1.00 0.00 C ATOM 236 CG ARG A 18 36.159 -13.069 2.238 1.00 0.00 C ATOM 237 CD ARG A 18 37.319 -12.188 1.804 1.00 0.00 C ATOM 238 NE ARG A 18 36.902 -10.808 1.572 1.00 0.00 N ATOM 239 CZ ARG A 18 37.664 -9.900 0.972 1.00 0.00 C ATOM 240 NH1 ARG A 18 38.877 -10.225 0.546 1.00 0.00 N ATOM 241 NH2 ARG A 18 37.214 -8.664 0.798 1.00 0.00 N ATOM 0 HA ARG A 18 36.032 -15.544 1.075 1.00 0.00 H new ATOM 0 HB2 ARG A 18 36.485 -14.419 3.866 1.00 0.00 H new ATOM 0 HB3 ARG A 18 37.721 -14.480 2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 18 35.497 -13.245 1.390 1.00 0.00 H new ATOM 0 HG3 ARG A 18 35.573 -12.552 2.998 1.00 0.00 H new ATOM 0 HD2 ARG A 18 38.095 -12.208 2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 18 37.759 -12.592 0.892 1.00 0.00 H new ATOM 0 HE ARG A 18 35.974 -10.525 1.888 1.00 0.00 H new ATOM 0 HH11 ARG A 18 39.227 -11.174 0.679 1.00 0.00 H new ATOM 0 HH12 ARG A 18 39.460 -9.526 0.086 1.00 0.00 H new ATOM 0 HH21 ARG A 18 36.282 -8.410 1.125 1.00 0.00 H new ATOM 0 HH22 ARG A 18 37.800 -7.968 0.337 1.00 0.00 H new ATOM 255 N LEU A 19 37.347 -17.542 1.693 1.00 0.00 N ATOM 256 CA LEU A 19 38.053 -18.781 1.999 1.00 0.00 C ATOM 257 C LEU A 19 39.558 -18.609 1.819 1.00 0.00 C ATOM 258 O LEU A 19 40.009 -17.871 0.942 1.00 0.00 O ATOM 259 CB LEU A 19 37.547 -19.914 1.103 1.00 0.00 C ATOM 260 CG LEU A 19 36.048 -20.205 1.173 1.00 0.00 C ATOM 261 CD1 LEU A 19 35.520 -20.617 -0.192 1.00 0.00 C ATOM 262 CD2 LEU A 19 35.762 -21.286 2.206 1.00 0.00 C ATOM 0 H LEU A 19 37.444 -17.229 0.727 1.00 0.00 H new ATOM 0 HA LEU A 19 37.857 -19.034 3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 19 37.803 -19.676 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 19 38.086 -20.825 1.363 1.00 0.00 H new ATOM 0 HG LEU A 19 35.534 -19.293 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.451 -20.820 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.691 -19.812 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.039 -21.515 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.690 -21.480 2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.287 -22.201 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 19 36.104 -20.952 3.186 1.00 0.00 H new ATOM 274 N LEU A 20 40.331 -19.297 2.652 1.00 0.00 N ATOM 275 CA LEU A 20 41.786 -19.223 2.584 1.00 0.00 C ATOM 276 C LEU A 20 42.376 -20.539 2.090 1.00 0.00 C ATOM 277 O LEU A 20 41.659 -21.522 1.904 1.00 0.00 O ATOM 278 CB LEU A 20 42.364 -18.875 3.958 1.00 0.00 C ATOM 279 CG LEU A 20 42.229 -17.416 4.393 1.00 0.00 C ATOM 280 CD1 LEU A 20 42.670 -17.247 5.838 1.00 0.00 C ATOM 281 CD2 LEU A 20 43.037 -16.509 3.477 1.00 0.00 C ATOM 0 H LEU A 20 39.974 -19.913 3.383 1.00 0.00 H new ATOM 0 HA LEU A 20 42.052 -18.439 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 20 41.877 -19.502 4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 20 43.422 -19.138 3.962 1.00 0.00 H new ATOM 0 HG LEU A 20 41.180 -17.131 4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 20 42.567 -16.202 6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 20 42.048 -17.867 6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 20 43.712 -17.551 5.938 1.00 0.00 H new ATOM 0 HD21 LEU A 20 42.929 -15.474 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 20 44.088 -16.794 3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 20 42.674 -16.608 2.454 1.00 0.00 H new ATOM 293 N GLY A 21 43.689 -20.553 1.881 1.00 0.00 N ATOM 294 CA GLY A 21 44.354 -21.755 1.413 1.00 0.00 C ATOM 295 C GLY A 21 45.864 -21.622 1.418 1.00 0.00 C ATOM 296 O GLY A 21 46.401 -20.585 1.807 1.00 0.00 O ATOM 0 H GLY A 21 44.304 -19.753 2.028 1.00 0.00 H new ATOM 0 HA2 GLY A 21 44.064 -22.596 2.044 1.00 0.00 H new ATOM 0 HA3 GLY A 21 44.016 -21.983 0.402 1.00 0.00 H new ATOM 300 N TYR A 22 46.550 -22.674 0.986 1.00 0.00 N ATOM 301 CA TYR A 22 48.007 -22.672 0.946 1.00 0.00 C ATOM 302 C TYR A 22 48.517 -23.229 -0.380 1.00 0.00 C ATOM 303 O TYR A 22 48.161 -24.337 -0.779 1.00 0.00 O ATOM 304 CB TYR A 22 48.571 -23.493 2.107 1.00 0.00 C ATOM 305 CG TYR A 22 48.014 -23.096 3.456 1.00 0.00 C ATOM 306 CD1 TYR A 22 48.242 -21.829 3.979 1.00 0.00 C ATOM 307 CD2 TYR A 22 47.260 -23.989 4.208 1.00 0.00 C ATOM 308 CE1 TYR A 22 47.736 -21.463 5.211 1.00 0.00 C ATOM 309 CE2 TYR A 22 46.749 -23.631 5.440 1.00 0.00 C ATOM 310 CZ TYR A 22 46.989 -22.367 5.937 1.00 0.00 C ATOM 311 OH TYR A 22 46.482 -22.007 7.165 1.00 0.00 O ATOM 0 H TYR A 22 46.120 -23.539 0.659 1.00 0.00 H new ATOM 0 HA TYR A 22 48.346 -21.640 1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 22 48.359 -24.548 1.932 1.00 0.00 H new ATOM 0 HB3 TYR A 22 49.655 -23.384 2.125 1.00 0.00 H new ATOM 0 HD1 TYR A 22 48.825 -21.118 3.412 1.00 0.00 H new ATOM 0 HD2 TYR A 22 47.070 -24.980 3.822 1.00 0.00 H new ATOM 0 HE1 TYR A 22 47.924 -20.475 5.604 1.00 0.00 H new ATOM 0 HE2 TYR A 22 46.165 -24.337 6.011 1.00 0.00 H new ATOM 0 HH TYR A 22 45.979 -22.758 7.544 1.00 0.00 H new ATOM 321 N VAL A 23 49.354 -22.450 -1.058 1.00 0.00 N ATOM 322 CA VAL A 23 49.916 -22.864 -2.338 1.00 0.00 C ATOM 323 C VAL A 23 50.569 -24.238 -2.233 1.00 0.00 C ATOM 324 O VAL A 23 51.597 -24.399 -1.576 1.00 0.00 O ATOM 325 CB VAL A 23 50.956 -21.850 -2.849 1.00 0.00 C ATOM 326 CG1 VAL A 23 51.537 -22.305 -4.180 1.00 0.00 C ATOM 327 CG2 VAL A 23 50.335 -20.467 -2.974 1.00 0.00 C ATOM 0 H VAL A 23 49.658 -21.529 -0.742 1.00 0.00 H new ATOM 0 HA VAL A 23 49.089 -22.912 -3.046 1.00 0.00 H new ATOM 0 HB VAL A 23 51.769 -21.794 -2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 23 52.270 -21.576 -4.525 1.00 0.00 H new ATOM 0 HG12 VAL A 23 52.020 -23.274 -4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 23 50.737 -22.392 -4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 23 51.084 -19.763 -3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 23 49.502 -20.504 -3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 23 49.973 -20.141 -1.999 1.00 0.00 H new ATOM 337 N ALA A 24 49.966 -25.226 -2.886 1.00 0.00 N ATOM 338 CA ALA A 24 50.491 -26.585 -2.869 1.00 0.00 C ATOM 339 C ALA A 24 51.456 -26.816 -4.027 1.00 0.00 C ATOM 340 O ALA A 24 52.474 -27.492 -3.875 1.00 0.00 O ATOM 341 CB ALA A 24 49.351 -27.592 -2.920 1.00 0.00 C ATOM 0 H ALA A 24 49.113 -25.110 -3.433 1.00 0.00 H new ATOM 0 HA ALA A 24 51.042 -26.723 -1.939 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.758 -28.603 -2.907 1.00 0.00 H new ATOM 0 HB2 ALA A 24 48.702 -27.451 -2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 24 48.776 -27.444 -3.834 1.00 0.00 H new ATOM 347 N THR A 25 51.129 -26.252 -5.185 1.00 0.00 N ATOM 348 CA THR A 25 51.966 -26.398 -6.370 1.00 0.00 C ATOM 349 C THR A 25 51.849 -25.179 -7.278 1.00 0.00 C ATOM 350 O THR A 25 50.761 -24.635 -7.468 1.00 0.00 O ATOM 351 CB THR A 25 51.590 -27.659 -7.170 1.00 0.00 C ATOM 352 OG1 THR A 25 51.434 -28.773 -6.284 1.00 0.00 O ATOM 353 CG2 THR A 25 52.655 -27.977 -8.210 1.00 0.00 C ATOM 0 H THR A 25 50.290 -25.690 -5.328 1.00 0.00 H new ATOM 0 HA THR A 25 52.995 -26.491 -6.022 1.00 0.00 H new ATOM 0 HB THR A 25 50.648 -27.469 -7.684 1.00 0.00 H new ATOM 0 HG1 THR A 25 51.193 -29.570 -6.800 1.00 0.00 H new ATOM 0 HG21 THR A 25 52.368 -28.872 -8.763 1.00 0.00 H new ATOM 0 HG22 THR A 25 52.751 -27.139 -8.900 1.00 0.00 H new ATOM 0 HG23 THR A 25 53.610 -28.149 -7.713 1.00 0.00 H new ATOM 361 N LEU A 26 52.977 -24.756 -7.839 1.00 0.00 N ATOM 362 CA LEU A 26 53.002 -23.601 -8.730 1.00 0.00 C ATOM 363 C LEU A 26 53.612 -23.967 -10.079 1.00 0.00 C ATOM 364 O LEU A 26 54.827 -24.124 -10.202 1.00 0.00 O ATOM 365 CB LEU A 26 53.793 -22.457 -8.093 1.00 0.00 C ATOM 366 CG LEU A 26 52.977 -21.243 -7.647 1.00 0.00 C ATOM 367 CD1 LEU A 26 53.685 -20.510 -6.518 1.00 0.00 C ATOM 368 CD2 LEU A 26 52.729 -20.307 -8.820 1.00 0.00 C ATOM 0 H LEU A 26 53.886 -25.195 -7.693 1.00 0.00 H new ATOM 0 HA LEU A 26 51.974 -23.277 -8.893 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.326 -22.849 -7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.546 -22.121 -8.806 1.00 0.00 H new ATOM 0 HG LEU A 26 52.013 -21.593 -7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 26 53.090 -19.649 -6.214 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.810 -21.183 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 26 54.663 -20.172 -6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 26 52.147 -19.449 -8.484 1.00 0.00 H new ATOM 0 HD22 LEU A 26 53.683 -19.964 -9.220 1.00 0.00 H new ATOM 0 HD23 LEU A 26 52.179 -20.836 -9.598 1.00 0.00 H new ATOM 380 N LYS A 27 52.761 -24.100 -11.091 1.00 0.00 N ATOM 381 CA LYS A 27 53.215 -24.444 -12.433 1.00 0.00 C ATOM 382 C LYS A 27 53.489 -23.187 -13.253 1.00 0.00 C ATOM 383 O LYS A 27 53.460 -22.074 -12.729 1.00 0.00 O ATOM 384 CB LYS A 27 52.170 -25.310 -13.141 1.00 0.00 C ATOM 385 CG LYS A 27 51.640 -26.446 -12.283 1.00 0.00 C ATOM 386 CD LYS A 27 52.727 -27.459 -11.966 1.00 0.00 C ATOM 387 CE LYS A 27 52.309 -28.867 -12.363 1.00 0.00 C ATOM 388 NZ LYS A 27 52.336 -29.058 -13.839 1.00 0.00 N ATOM 0 H LYS A 27 51.752 -23.975 -11.007 1.00 0.00 H new ATOM 0 HA LYS A 27 54.144 -25.007 -12.342 1.00 0.00 H new ATOM 0 HB2 LYS A 27 51.336 -24.679 -13.450 1.00 0.00 H new ATOM 0 HB3 LYS A 27 52.609 -25.725 -14.048 1.00 0.00 H new ATOM 0 HG2 LYS A 27 51.235 -26.043 -11.355 1.00 0.00 H new ATOM 0 HG3 LYS A 27 50.819 -26.942 -12.801 1.00 0.00 H new ATOM 0 HD2 LYS A 27 53.643 -27.188 -12.492 1.00 0.00 H new ATOM 0 HD3 LYS A 27 52.952 -27.432 -10.900 1.00 0.00 H new ATOM 0 HE2 LYS A 27 52.974 -29.590 -11.891 1.00 0.00 H new ATOM 0 HE3 LYS A 27 51.305 -29.067 -11.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 52.045 -30.030 -14.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 51.682 -28.385 -14.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 53.300 -28.893 -14.193 1.00 0.00 H new ATOM 402 N ASP A 28 53.753 -23.373 -14.542 1.00 0.00 N ATOM 403 CA ASP A 28 54.030 -22.254 -15.435 1.00 0.00 C ATOM 404 C ASP A 28 52.797 -21.901 -16.261 1.00 0.00 C ATOM 405 O ASP A 28 52.898 -21.613 -17.453 1.00 0.00 O ATOM 406 CB ASP A 28 55.200 -22.590 -16.360 1.00 0.00 C ATOM 407 CG ASP A 28 56.541 -22.481 -15.661 1.00 0.00 C ATOM 408 OD1 ASP A 28 56.877 -21.374 -15.192 1.00 0.00 O ATOM 409 OD2 ASP A 28 57.255 -23.503 -15.584 1.00 0.00 O ATOM 0 H ASP A 28 53.781 -24.288 -14.992 1.00 0.00 H new ATOM 0 HA ASP A 28 54.296 -21.391 -14.825 1.00 0.00 H new ATOM 0 HB2 ASP A 28 55.076 -23.602 -16.745 1.00 0.00 H new ATOM 0 HB3 ASP A 28 55.185 -21.918 -17.218 1.00 0.00 H new ATOM 414 N ASN A 29 51.634 -21.925 -15.619 1.00 0.00 N ATOM 415 CA ASN A 29 50.381 -21.609 -16.295 1.00 0.00 C ATOM 416 C ASN A 29 49.225 -21.554 -15.300 1.00 0.00 C ATOM 417 O ASN A 29 48.326 -20.721 -15.422 1.00 0.00 O ATOM 418 CB ASN A 29 50.086 -22.647 -17.380 1.00 0.00 C ATOM 419 CG ASN A 29 49.634 -22.011 -18.680 1.00 0.00 C ATOM 420 OD1 ASN A 29 50.289 -22.151 -19.713 1.00 0.00 O ATOM 421 ND2 ASN A 29 48.509 -21.308 -18.635 1.00 0.00 N ATOM 0 H ASN A 29 51.533 -22.160 -14.632 1.00 0.00 H new ATOM 0 HA ASN A 29 50.485 -20.628 -16.759 1.00 0.00 H new ATOM 0 HB2 ASN A 29 50.980 -23.243 -17.562 1.00 0.00 H new ATOM 0 HB3 ASN A 29 49.314 -23.330 -17.025 1.00 0.00 H new ATOM 0 HD21 ASN A 29 48.155 -20.857 -19.479 1.00 0.00 H new ATOM 0 HD22 ASN A 29 47.998 -21.218 -17.757 1.00 0.00 H new ATOM 428 N PHE A 30 49.255 -22.447 -14.316 1.00 0.00 N ATOM 429 CA PHE A 30 48.211 -22.501 -13.301 1.00 0.00 C ATOM 430 C PHE A 30 48.756 -23.056 -11.988 1.00 0.00 C ATOM 431 O PHE A 30 49.686 -23.862 -11.981 1.00 0.00 O ATOM 432 CB PHE A 30 47.042 -23.362 -13.786 1.00 0.00 C ATOM 433 CG PHE A 30 47.465 -24.705 -14.309 1.00 0.00 C ATOM 434 CD1 PHE A 30 47.841 -25.716 -13.439 1.00 0.00 C ATOM 435 CD2 PHE A 30 47.485 -24.957 -15.672 1.00 0.00 C ATOM 436 CE1 PHE A 30 48.231 -26.952 -13.919 1.00 0.00 C ATOM 437 CE2 PHE A 30 47.873 -26.192 -16.157 1.00 0.00 C ATOM 438 CZ PHE A 30 48.246 -27.191 -15.279 1.00 0.00 C ATOM 0 H PHE A 30 49.992 -23.143 -14.201 1.00 0.00 H new ATOM 0 HA PHE A 30 47.857 -21.485 -13.126 1.00 0.00 H new ATOM 0 HB2 PHE A 30 46.341 -23.505 -12.964 1.00 0.00 H new ATOM 0 HB3 PHE A 30 46.508 -22.827 -14.571 1.00 0.00 H new ATOM 0 HD1 PHE A 30 47.829 -25.536 -12.374 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.194 -24.180 -16.363 1.00 0.00 H new ATOM 0 HE1 PHE A 30 48.524 -27.731 -13.231 1.00 0.00 H new ATOM 0 HE2 PHE A 30 47.884 -26.376 -17.221 1.00 0.00 H new ATOM 0 HZ PHE A 30 48.549 -28.157 -15.655 1.00 0.00 H new ATOM 448 N GLY A 31 48.170 -22.619 -10.878 1.00 0.00 N ATOM 449 CA GLY A 31 48.610 -23.081 -9.575 1.00 0.00 C ATOM 450 C GLY A 31 47.576 -23.950 -8.888 1.00 0.00 C ATOM 451 O GLY A 31 46.474 -24.142 -9.404 1.00 0.00 O ATOM 0 H GLY A 31 47.398 -21.953 -10.858 1.00 0.00 H new ATOM 0 HA2 GLY A 31 49.537 -23.644 -9.687 1.00 0.00 H new ATOM 0 HA3 GLY A 31 48.834 -22.221 -8.944 1.00 0.00 H new ATOM 455 N PHE A 32 47.930 -24.480 -7.722 1.00 0.00 N ATOM 456 CA PHE A 32 47.025 -25.336 -6.965 1.00 0.00 C ATOM 457 C PHE A 32 46.965 -24.907 -5.502 1.00 0.00 C ATOM 458 O PHE A 32 47.973 -24.498 -4.923 1.00 0.00 O ATOM 459 CB PHE A 32 47.470 -26.797 -7.061 1.00 0.00 C ATOM 460 CG PHE A 32 47.095 -27.454 -8.358 1.00 0.00 C ATOM 461 CD1 PHE A 32 45.782 -27.816 -8.612 1.00 0.00 C ATOM 462 CD2 PHE A 32 48.055 -27.710 -9.324 1.00 0.00 C ATOM 463 CE1 PHE A 32 45.432 -28.421 -9.805 1.00 0.00 C ATOM 464 CE2 PHE A 32 47.711 -28.314 -10.519 1.00 0.00 C ATOM 465 CZ PHE A 32 46.399 -28.671 -10.759 1.00 0.00 C ATOM 0 H PHE A 32 48.838 -24.332 -7.281 1.00 0.00 H new ATOM 0 HA PHE A 32 46.028 -25.237 -7.395 1.00 0.00 H new ATOM 0 HB2 PHE A 32 48.552 -26.848 -6.937 1.00 0.00 H new ATOM 0 HB3 PHE A 32 47.028 -27.358 -6.238 1.00 0.00 H new ATOM 0 HD1 PHE A 32 45.022 -27.623 -7.869 1.00 0.00 H new ATOM 0 HD2 PHE A 32 49.083 -27.435 -9.141 1.00 0.00 H new ATOM 0 HE1 PHE A 32 44.405 -28.698 -9.991 1.00 0.00 H new ATOM 0 HE2 PHE A 32 48.468 -28.507 -11.265 1.00 0.00 H new ATOM 0 HZ PHE A 32 46.129 -29.145 -11.691 1.00 0.00 H new ATOM 475 N ILE A 33 45.779 -25.001 -4.911 1.00 0.00 N ATOM 476 CA ILE A 33 45.588 -24.622 -3.517 1.00 0.00 C ATOM 477 C ILE A 33 45.082 -25.801 -2.692 1.00 0.00 C ATOM 478 O ILE A 33 44.109 -26.457 -3.061 1.00 0.00 O ATOM 479 CB ILE A 33 44.596 -23.452 -3.382 1.00 0.00 C ATOM 480 CG1 ILE A 33 45.082 -22.247 -4.189 1.00 0.00 C ATOM 481 CG2 ILE A 33 44.415 -23.078 -1.918 1.00 0.00 C ATOM 482 CD1 ILE A 33 44.039 -21.163 -4.345 1.00 0.00 C ATOM 0 H ILE A 33 44.936 -25.337 -5.376 1.00 0.00 H new ATOM 0 HA ILE A 33 46.561 -24.307 -3.139 1.00 0.00 H new ATOM 0 HB ILE A 33 43.631 -23.766 -3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 33 45.962 -21.826 -3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 33 45.394 -22.584 -5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 33 43.711 -22.250 -1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 33 44.029 -23.936 -1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 33 45.375 -22.780 -1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 33 44.454 -20.340 -4.928 1.00 0.00 H new ATOM 0 HD12 ILE A 33 43.167 -21.568 -4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 33 43.744 -20.798 -3.361 1.00 0.00 H new ATOM 494 N GLU A 34 45.749 -26.062 -1.572 1.00 0.00 N ATOM 495 CA GLU A 34 45.365 -27.161 -0.694 1.00 0.00 C ATOM 496 C GLU A 34 44.586 -26.647 0.513 1.00 0.00 C ATOM 497 O GLU A 34 45.084 -25.829 1.287 1.00 0.00 O ATOM 498 CB GLU A 34 46.605 -27.926 -0.225 1.00 0.00 C ATOM 499 CG GLU A 34 46.734 -29.310 -0.838 1.00 0.00 C ATOM 500 CD GLU A 34 48.118 -29.902 -0.656 1.00 0.00 C ATOM 501 OE1 GLU A 34 48.890 -29.364 0.165 1.00 0.00 O ATOM 502 OE2 GLU A 34 48.429 -30.904 -1.334 1.00 0.00 O ATOM 0 H GLU A 34 46.557 -25.528 -1.252 1.00 0.00 H new ATOM 0 HA GLU A 34 44.722 -27.836 -1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 34 47.494 -27.345 -0.470 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.575 -28.020 0.861 1.00 0.00 H new ATOM 0 HG2 GLU A 34 45.997 -29.974 -0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 34 46.503 -29.255 -1.902 1.00 0.00 H new ATOM 509 N THR A 35 43.357 -27.131 0.667 1.00 0.00 N ATOM 510 CA THR A 35 42.507 -26.720 1.777 1.00 0.00 C ATOM 511 C THR A 35 43.065 -27.211 3.108 1.00 0.00 C ATOM 512 O THR A 35 43.972 -28.042 3.143 1.00 0.00 O ATOM 513 CB THR A 35 41.070 -27.250 1.610 1.00 0.00 C ATOM 514 OG1 THR A 35 41.061 -28.679 1.696 1.00 0.00 O ATOM 515 CG2 THR A 35 40.485 -26.814 0.275 1.00 0.00 C ATOM 0 H THR A 35 42.928 -27.808 0.036 1.00 0.00 H new ATOM 0 HA THR A 35 42.488 -25.630 1.774 1.00 0.00 H new ATOM 0 HB THR A 35 40.458 -26.835 2.411 1.00 0.00 H new ATOM 0 HG1 THR A 35 40.144 -29.007 1.591 1.00 0.00 H new ATOM 0 HG21 THR A 35 39.470 -27.200 0.179 1.00 0.00 H new ATOM 0 HG22 THR A 35 40.466 -25.725 0.224 1.00 0.00 H new ATOM 0 HG23 THR A 35 41.100 -27.204 -0.536 1.00 0.00 H new ATOM 523 N ALA A 36 42.517 -26.691 4.201 1.00 0.00 N ATOM 524 CA ALA A 36 42.959 -27.079 5.535 1.00 0.00 C ATOM 525 C ALA A 36 42.717 -28.564 5.784 1.00 0.00 C ATOM 526 O ALA A 36 43.412 -29.190 6.583 1.00 0.00 O ATOM 527 CB ALA A 36 42.250 -26.243 6.590 1.00 0.00 C ATOM 0 H ALA A 36 41.767 -26.000 4.189 1.00 0.00 H new ATOM 0 HA ALA A 36 44.031 -26.896 5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 36 42.590 -26.544 7.581 1.00 0.00 H new ATOM 0 HB2 ALA A 36 42.478 -25.189 6.432 1.00 0.00 H new ATOM 0 HB3 ALA A 36 41.174 -26.397 6.513 1.00 0.00 H new ATOM 533 N ASN A 37 41.727 -29.121 5.094 1.00 0.00 N ATOM 534 CA ASN A 37 41.393 -30.533 5.241 1.00 0.00 C ATOM 535 C ASN A 37 42.338 -31.405 4.418 1.00 0.00 C ATOM 536 O ASN A 37 42.533 -32.583 4.719 1.00 0.00 O ATOM 537 CB ASN A 37 39.946 -30.784 4.811 1.00 0.00 C ATOM 538 CG ASN A 37 39.265 -31.839 5.662 1.00 0.00 C ATOM 539 OD1 ASN A 37 39.457 -31.891 6.877 1.00 0.00 O ATOM 540 ND2 ASN A 37 38.465 -32.686 5.025 1.00 0.00 N ATOM 0 H ASN A 37 41.142 -28.616 4.428 1.00 0.00 H new ATOM 0 HA ASN A 37 41.504 -30.799 6.292 1.00 0.00 H new ATOM 0 HB2 ASN A 37 39.384 -29.852 4.874 1.00 0.00 H new ATOM 0 HB3 ASN A 37 39.929 -31.097 3.767 1.00 0.00 H new ATOM 0 HD21 ASN A 37 37.980 -33.418 5.544 1.00 0.00 H new ATOM 0 HD22 ASN A 37 38.336 -32.605 4.016 1.00 0.00 H new ATOM 547 N HIS A 38 42.922 -30.817 3.379 1.00 0.00 N ATOM 548 CA HIS A 38 43.847 -31.539 2.513 1.00 0.00 C ATOM 549 C HIS A 38 43.144 -32.697 1.812 1.00 0.00 C ATOM 550 O HIS A 38 43.698 -33.790 1.689 1.00 0.00 O ATOM 551 CB HIS A 38 45.034 -32.062 3.323 1.00 0.00 C ATOM 552 CG HIS A 38 46.239 -32.369 2.489 1.00 0.00 C ATOM 553 ND1 HIS A 38 46.671 -33.654 2.235 1.00 0.00 N ATOM 554 CD2 HIS A 38 47.105 -31.549 1.848 1.00 0.00 C ATOM 555 CE1 HIS A 38 47.751 -33.611 1.475 1.00 0.00 C ATOM 556 NE2 HIS A 38 48.035 -32.345 1.226 1.00 0.00 N ATOM 0 H HIS A 38 42.771 -29.843 3.116 1.00 0.00 H new ATOM 0 HA HIS A 38 44.211 -30.846 1.754 1.00 0.00 H new ATOM 0 HB2 HIS A 38 45.303 -31.322 4.077 1.00 0.00 H new ATOM 0 HB3 HIS A 38 44.731 -32.964 3.855 1.00 0.00 H new ATOM 0 HD1 HIS A 38 46.226 -34.505 2.580 1.00 0.00 H new ATOM 0 HD2 HIS A 38 47.071 -30.470 1.829 1.00 0.00 H new ATOM 0 HE1 HIS A 38 48.307 -34.465 1.118 1.00 0.00 H new ATOM 564 N ASP A 39 41.921 -32.451 1.355 1.00 0.00 N ATOM 565 CA ASP A 39 41.142 -33.474 0.667 1.00 0.00 C ATOM 566 C ASP A 39 40.902 -33.085 -0.789 1.00 0.00 C ATOM 567 O ASP A 39 40.998 -33.919 -1.690 1.00 0.00 O ATOM 568 CB ASP A 39 39.805 -33.691 1.377 1.00 0.00 C ATOM 569 CG ASP A 39 39.266 -35.094 1.179 1.00 0.00 C ATOM 570 OD1 ASP A 39 39.928 -36.052 1.629 1.00 0.00 O ATOM 571 OD2 ASP A 39 38.182 -35.234 0.575 1.00 0.00 O ATOM 0 H ASP A 39 41.448 -31.552 1.449 1.00 0.00 H new ATOM 0 HA ASP A 39 41.710 -34.404 0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.928 -33.499 2.443 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.078 -32.969 1.005 1.00 0.00 H new ATOM 576 N LYS A 40 40.588 -31.814 -1.012 1.00 0.00 N ATOM 577 CA LYS A 40 40.333 -31.313 -2.358 1.00 0.00 C ATOM 578 C LYS A 40 41.210 -30.103 -2.663 1.00 0.00 C ATOM 579 O LYS A 40 41.496 -29.294 -1.780 1.00 0.00 O ATOM 580 CB LYS A 40 38.857 -30.940 -2.515 1.00 0.00 C ATOM 581 CG LYS A 40 38.394 -30.889 -3.961 1.00 0.00 C ATOM 582 CD LYS A 40 37.319 -29.834 -4.164 1.00 0.00 C ATOM 583 CE LYS A 40 35.976 -30.295 -3.617 1.00 0.00 C ATOM 584 NZ LYS A 40 34.839 -29.774 -4.426 1.00 0.00 N ATOM 0 H LYS A 40 40.504 -31.111 -0.278 1.00 0.00 H new ATOM 0 HA LYS A 40 40.578 -32.105 -3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 40 38.248 -31.663 -1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 40 38.685 -29.968 -2.053 1.00 0.00 H new ATOM 0 HG2 LYS A 40 39.244 -30.674 -4.609 1.00 0.00 H new ATOM 0 HG3 LYS A 40 38.008 -31.865 -4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 40 37.617 -28.910 -3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 40 37.223 -29.610 -5.226 1.00 0.00 H new ATOM 0 HE2 LYS A 40 35.944 -31.384 -3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 40 35.870 -29.961 -2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 33.942 -30.110 -4.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 34.855 -28.734 -4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 34.925 -30.113 -5.405 1.00 0.00 H new ATOM 598 N GLU A 41 41.632 -29.984 -3.918 1.00 0.00 N ATOM 599 CA GLU A 41 42.475 -28.871 -4.338 1.00 0.00 C ATOM 600 C GLU A 41 41.696 -27.901 -5.222 1.00 0.00 C ATOM 601 O GLU A 41 40.595 -28.210 -5.679 1.00 0.00 O ATOM 602 CB GLU A 41 43.704 -29.388 -5.089 1.00 0.00 C ATOM 603 CG GLU A 41 44.660 -30.184 -4.216 1.00 0.00 C ATOM 604 CD GLU A 41 46.013 -30.388 -4.869 1.00 0.00 C ATOM 605 OE1 GLU A 41 46.061 -30.496 -6.112 1.00 0.00 O ATOM 606 OE2 GLU A 41 47.024 -30.439 -4.137 1.00 0.00 O ATOM 0 H GLU A 41 41.404 -30.644 -4.661 1.00 0.00 H new ATOM 0 HA GLU A 41 42.801 -28.339 -3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 41 43.376 -30.014 -5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 41 44.238 -28.542 -5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 41 44.794 -29.668 -3.265 1.00 0.00 H new ATOM 0 HG3 GLU A 41 44.219 -31.155 -3.992 1.00 0.00 H new ATOM 613 N ILE A 42 42.275 -26.729 -5.457 1.00 0.00 N ATOM 614 CA ILE A 42 41.636 -25.714 -6.286 1.00 0.00 C ATOM 615 C ILE A 42 42.458 -25.430 -7.538 1.00 0.00 C ATOM 616 O ILE A 42 43.688 -25.476 -7.510 1.00 0.00 O ATOM 617 CB ILE A 42 41.431 -24.400 -5.510 1.00 0.00 C ATOM 618 CG1 ILE A 42 40.764 -24.677 -4.162 1.00 0.00 C ATOM 619 CG2 ILE A 42 40.599 -23.425 -6.329 1.00 0.00 C ATOM 620 CD1 ILE A 42 39.411 -25.343 -4.283 1.00 0.00 C ATOM 0 H ILE A 42 43.185 -26.458 -5.085 1.00 0.00 H new ATOM 0 HA ILE A 42 40.663 -26.110 -6.576 1.00 0.00 H new ATOM 0 HB ILE A 42 42.406 -23.949 -5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 42 41.420 -25.311 -3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 42 40.650 -23.737 -3.622 1.00 0.00 H new ATOM 0 HG21 ILE A 42 40.463 -22.501 -5.767 1.00 0.00 H new ATOM 0 HG22 ILE A 42 41.111 -23.207 -7.266 1.00 0.00 H new ATOM 0 HG23 ILE A 42 39.626 -23.867 -6.542 1.00 0.00 H new ATOM 0 HD11 ILE A 42 38.997 -25.509 -3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 42 38.739 -24.701 -4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 42 39.521 -26.299 -4.795 1.00 0.00 H new ATOM 632 N PHE A 43 41.771 -25.133 -8.636 1.00 0.00 N ATOM 633 CA PHE A 43 42.438 -24.839 -9.900 1.00 0.00 C ATOM 634 C PHE A 43 42.150 -23.409 -10.346 1.00 0.00 C ATOM 635 O PHE A 43 41.032 -23.085 -10.747 1.00 0.00 O ATOM 636 CB PHE A 43 41.986 -25.824 -10.980 1.00 0.00 C ATOM 637 CG PHE A 43 42.497 -25.486 -12.351 1.00 0.00 C ATOM 638 CD1 PHE A 43 41.776 -24.649 -13.187 1.00 0.00 C ATOM 639 CD2 PHE A 43 43.700 -26.005 -12.804 1.00 0.00 C ATOM 640 CE1 PHE A 43 42.245 -24.337 -14.449 1.00 0.00 C ATOM 641 CE2 PHE A 43 44.174 -25.696 -14.065 1.00 0.00 C ATOM 642 CZ PHE A 43 43.445 -24.860 -14.888 1.00 0.00 C ATOM 0 H PHE A 43 40.753 -25.089 -8.677 1.00 0.00 H new ATOM 0 HA PHE A 43 43.512 -24.944 -9.749 1.00 0.00 H new ATOM 0 HB2 PHE A 43 42.324 -26.825 -10.712 1.00 0.00 H new ATOM 0 HB3 PHE A 43 40.897 -25.851 -11.003 1.00 0.00 H new ATOM 0 HD1 PHE A 43 40.837 -24.236 -12.849 1.00 0.00 H new ATOM 0 HD2 PHE A 43 44.274 -26.659 -12.164 1.00 0.00 H new ATOM 0 HE1 PHE A 43 41.673 -23.684 -15.092 1.00 0.00 H new ATOM 0 HE2 PHE A 43 45.113 -26.107 -14.406 1.00 0.00 H new ATOM 0 HZ PHE A 43 43.813 -24.616 -15.874 1.00 0.00 H new ATOM 652 N PHE A 44 43.168 -22.557 -10.274 1.00 0.00 N ATOM 653 CA PHE A 44 43.025 -21.161 -10.669 1.00 0.00 C ATOM 654 C PHE A 44 43.988 -20.815 -11.801 1.00 0.00 C ATOM 655 O PHE A 44 45.149 -21.225 -11.791 1.00 0.00 O ATOM 656 CB PHE A 44 43.277 -20.242 -9.472 1.00 0.00 C ATOM 657 CG PHE A 44 44.710 -20.225 -9.020 1.00 0.00 C ATOM 658 CD1 PHE A 44 45.623 -19.359 -9.600 1.00 0.00 C ATOM 659 CD2 PHE A 44 45.143 -21.075 -8.016 1.00 0.00 C ATOM 660 CE1 PHE A 44 46.941 -19.341 -9.186 1.00 0.00 C ATOM 661 CE2 PHE A 44 46.460 -21.061 -7.597 1.00 0.00 C ATOM 662 CZ PHE A 44 47.361 -20.194 -8.184 1.00 0.00 C ATOM 0 H PHE A 44 44.100 -22.809 -9.946 1.00 0.00 H new ATOM 0 HA PHE A 44 42.005 -21.012 -11.024 1.00 0.00 H new ATOM 0 HB2 PHE A 44 42.975 -19.228 -9.733 1.00 0.00 H new ATOM 0 HB3 PHE A 44 42.646 -20.559 -8.642 1.00 0.00 H new ATOM 0 HD1 PHE A 44 45.301 -18.690 -10.385 1.00 0.00 H new ATOM 0 HD2 PHE A 44 44.443 -21.757 -7.555 1.00 0.00 H new ATOM 0 HE1 PHE A 44 47.642 -18.660 -9.646 1.00 0.00 H new ATOM 0 HE2 PHE A 44 46.784 -21.727 -6.811 1.00 0.00 H new ATOM 0 HZ PHE A 44 48.391 -20.183 -7.860 1.00 0.00 H new ATOM 672 N HIS A 45 43.497 -20.058 -12.778 1.00 0.00 N ATOM 673 CA HIS A 45 44.313 -19.657 -13.918 1.00 0.00 C ATOM 674 C HIS A 45 45.091 -18.382 -13.607 1.00 0.00 C ATOM 675 O HIS A 45 44.598 -17.497 -12.907 1.00 0.00 O ATOM 676 CB HIS A 45 43.434 -19.444 -15.151 1.00 0.00 C ATOM 677 CG HIS A 45 43.887 -20.217 -16.351 1.00 0.00 C ATOM 678 ND1 HIS A 45 44.985 -19.860 -17.106 1.00 0.00 N ATOM 679 CD2 HIS A 45 43.386 -21.336 -16.924 1.00 0.00 C ATOM 680 CE1 HIS A 45 45.137 -20.725 -18.093 1.00 0.00 C ATOM 681 NE2 HIS A 45 44.180 -21.631 -18.005 1.00 0.00 N ATOM 0 H HIS A 45 42.538 -19.710 -12.803 1.00 0.00 H new ATOM 0 HA HIS A 45 45.026 -20.456 -14.123 1.00 0.00 H new ATOM 0 HB2 HIS A 45 42.410 -19.730 -14.911 1.00 0.00 H new ATOM 0 HB3 HIS A 45 43.419 -18.382 -15.397 1.00 0.00 H new ATOM 0 HD2 HIS A 45 42.522 -21.893 -16.593 1.00 0.00 H new ATOM 0 HE1 HIS A 45 45.912 -20.696 -18.844 1.00 0.00 H new ATOM 0 HE2 HIS A 45 44.052 -22.421 -18.637 1.00 0.00 H new ATOM 689 N TYR A 46 46.309 -18.296 -14.131 1.00 0.00 N ATOM 690 CA TYR A 46 47.157 -17.131 -13.907 1.00 0.00 C ATOM 691 C TYR A 46 46.431 -15.847 -14.294 1.00 0.00 C ATOM 692 O TYR A 46 46.650 -14.792 -13.697 1.00 0.00 O ATOM 693 CB TYR A 46 48.455 -17.258 -14.706 1.00 0.00 C ATOM 694 CG TYR A 46 49.583 -17.900 -13.931 1.00 0.00 C ATOM 695 CD1 TYR A 46 49.397 -19.105 -13.265 1.00 0.00 C ATOM 696 CD2 TYR A 46 50.835 -17.301 -13.864 1.00 0.00 C ATOM 697 CE1 TYR A 46 50.424 -19.695 -12.555 1.00 0.00 C ATOM 698 CE2 TYR A 46 51.869 -17.884 -13.157 1.00 0.00 C ATOM 699 CZ TYR A 46 51.659 -19.081 -12.505 1.00 0.00 C ATOM 700 OH TYR A 46 52.686 -19.665 -11.799 1.00 0.00 O ATOM 0 H TYR A 46 46.731 -19.019 -14.714 1.00 0.00 H new ATOM 0 HA TYR A 46 47.396 -17.085 -12.844 1.00 0.00 H new ATOM 0 HB2 TYR A 46 48.263 -17.845 -15.604 1.00 0.00 H new ATOM 0 HB3 TYR A 46 48.769 -16.267 -15.034 1.00 0.00 H new ATOM 0 HD1 TYR A 46 48.432 -19.589 -13.303 1.00 0.00 H new ATOM 0 HD2 TYR A 46 51.003 -16.364 -14.373 1.00 0.00 H new ATOM 0 HE1 TYR A 46 50.262 -20.631 -12.042 1.00 0.00 H new ATOM 0 HE2 TYR A 46 52.836 -17.405 -13.115 1.00 0.00 H new ATOM 0 HH TYR A 46 53.034 -20.431 -12.301 1.00 0.00 H new ATOM 710 N SER A 47 45.564 -15.943 -15.297 1.00 0.00 N ATOM 711 CA SER A 47 44.807 -14.789 -15.768 1.00 0.00 C ATOM 712 C SER A 47 43.772 -14.360 -14.732 1.00 0.00 C ATOM 713 O SER A 47 43.482 -13.173 -14.585 1.00 0.00 O ATOM 714 CB SER A 47 44.116 -15.112 -17.094 1.00 0.00 C ATOM 715 OG SER A 47 44.594 -14.278 -18.134 1.00 0.00 O ATOM 0 H SER A 47 45.368 -16.809 -15.799 1.00 0.00 H new ATOM 0 HA SER A 47 45.504 -13.966 -15.922 1.00 0.00 H new ATOM 0 HB2 SER A 47 44.289 -16.157 -17.353 1.00 0.00 H new ATOM 0 HB3 SER A 47 43.039 -14.984 -16.987 1.00 0.00 H new ATOM 0 HG SER A 47 44.138 -14.505 -18.971 1.00 0.00 H new ATOM 721 N GLU A 48 43.219 -15.335 -14.018 1.00 0.00 N ATOM 722 CA GLU A 48 42.215 -15.059 -12.997 1.00 0.00 C ATOM 723 C GLU A 48 42.859 -14.463 -11.748 1.00 0.00 C ATOM 724 O GLU A 48 42.216 -13.735 -10.992 1.00 0.00 O ATOM 725 CB GLU A 48 41.459 -16.339 -12.633 1.00 0.00 C ATOM 726 CG GLU A 48 41.005 -17.141 -13.841 1.00 0.00 C ATOM 727 CD GLU A 48 40.264 -18.406 -13.455 1.00 0.00 C ATOM 728 OE1 GLU A 48 40.325 -18.791 -12.269 1.00 0.00 O ATOM 729 OE2 GLU A 48 39.622 -19.012 -14.339 1.00 0.00 O ATOM 0 H GLU A 48 43.449 -16.323 -14.128 1.00 0.00 H new ATOM 0 HA GLU A 48 41.511 -14.333 -13.404 1.00 0.00 H new ATOM 0 HB2 GLU A 48 42.099 -16.965 -12.011 1.00 0.00 H new ATOM 0 HB3 GLU A 48 40.588 -16.078 -12.032 1.00 0.00 H new ATOM 0 HG2 GLU A 48 40.359 -16.521 -14.462 1.00 0.00 H new ATOM 0 HG3 GLU A 48 41.873 -17.403 -14.446 1.00 0.00 H new ATOM 736 N PHE A 49 44.133 -14.779 -11.539 1.00 0.00 N ATOM 737 CA PHE A 49 44.864 -14.277 -10.381 1.00 0.00 C ATOM 738 C PHE A 49 45.258 -12.816 -10.578 1.00 0.00 C ATOM 739 O PHE A 49 45.660 -12.412 -11.670 1.00 0.00 O ATOM 740 CB PHE A 49 46.114 -15.125 -10.134 1.00 0.00 C ATOM 741 CG PHE A 49 46.753 -14.875 -8.798 1.00 0.00 C ATOM 742 CD1 PHE A 49 47.581 -13.781 -8.605 1.00 0.00 C ATOM 743 CD2 PHE A 49 46.526 -15.734 -7.735 1.00 0.00 C ATOM 744 CE1 PHE A 49 48.171 -13.549 -7.377 1.00 0.00 C ATOM 745 CE2 PHE A 49 47.113 -15.508 -6.505 1.00 0.00 C ATOM 746 CZ PHE A 49 47.936 -14.413 -6.325 1.00 0.00 C ATOM 0 H PHE A 49 44.680 -15.380 -12.156 1.00 0.00 H new ATOM 0 HA PHE A 49 44.209 -14.345 -9.512 1.00 0.00 H new ATOM 0 HB2 PHE A 49 45.849 -16.180 -10.209 1.00 0.00 H new ATOM 0 HB3 PHE A 49 46.842 -14.922 -10.920 1.00 0.00 H new ATOM 0 HD1 PHE A 49 47.767 -13.102 -9.424 1.00 0.00 H new ATOM 0 HD2 PHE A 49 45.882 -16.591 -7.870 1.00 0.00 H new ATOM 0 HE1 PHE A 49 48.815 -12.693 -7.240 1.00 0.00 H new ATOM 0 HE2 PHE A 49 46.929 -16.186 -5.685 1.00 0.00 H new ATOM 0 HZ PHE A 49 48.395 -14.233 -5.364 1.00 0.00 H new ATOM 756 N SER A 50 45.139 -12.029 -9.514 1.00 0.00 N ATOM 757 CA SER A 50 45.478 -10.611 -9.570 1.00 0.00 C ATOM 758 C SER A 50 46.645 -10.295 -8.640 1.00 0.00 C ATOM 759 O SER A 50 46.501 -10.305 -7.419 1.00 0.00 O ATOM 760 CB SER A 50 44.264 -9.760 -9.192 1.00 0.00 C ATOM 761 OG SER A 50 44.068 -8.710 -10.124 1.00 0.00 O ATOM 0 H SER A 50 44.811 -12.349 -8.603 1.00 0.00 H new ATOM 0 HA SER A 50 45.775 -10.373 -10.591 1.00 0.00 H new ATOM 0 HB2 SER A 50 43.374 -10.388 -9.154 1.00 0.00 H new ATOM 0 HB3 SER A 50 44.404 -9.344 -8.194 1.00 0.00 H new ATOM 0 HG SER A 50 43.285 -8.182 -9.862 1.00 0.00 H new ATOM 767 N GLY A 51 47.804 -10.014 -9.230 1.00 0.00 N ATOM 768 CA GLY A 51 48.980 -9.698 -8.440 1.00 0.00 C ATOM 769 C GLY A 51 50.210 -10.453 -8.905 1.00 0.00 C ATOM 770 O GLY A 51 50.198 -11.079 -9.965 1.00 0.00 O ATOM 0 H GLY A 51 47.949 -10.000 -10.240 1.00 0.00 H new ATOM 0 HA2 GLY A 51 49.173 -8.627 -8.494 1.00 0.00 H new ATOM 0 HA3 GLY A 51 48.786 -9.935 -7.394 1.00 0.00 H new ATOM 774 N ASP A 52 51.273 -10.394 -8.111 1.00 0.00 N ATOM 775 CA ASP A 52 52.517 -11.077 -8.448 1.00 0.00 C ATOM 776 C ASP A 52 52.371 -12.586 -8.279 1.00 0.00 C ATOM 777 O ASP A 52 52.772 -13.150 -7.261 1.00 0.00 O ATOM 778 CB ASP A 52 53.660 -10.562 -7.571 1.00 0.00 C ATOM 779 CG ASP A 52 53.618 -9.057 -7.390 1.00 0.00 C ATOM 780 OD1 ASP A 52 53.322 -8.349 -8.375 1.00 0.00 O ATOM 781 OD2 ASP A 52 53.880 -8.588 -6.263 1.00 0.00 O ATOM 0 H ASP A 52 51.299 -9.881 -7.230 1.00 0.00 H new ATOM 0 HA ASP A 52 52.747 -10.867 -9.492 1.00 0.00 H new ATOM 0 HB2 ASP A 52 53.610 -11.044 -6.595 1.00 0.00 H new ATOM 0 HB3 ASP A 52 54.613 -10.845 -8.018 1.00 0.00 H new ATOM 786 N VAL A 53 51.792 -13.235 -9.285 1.00 0.00 N ATOM 787 CA VAL A 53 51.593 -14.679 -9.249 1.00 0.00 C ATOM 788 C VAL A 53 52.914 -15.420 -9.420 1.00 0.00 C ATOM 789 O VAL A 53 53.102 -16.508 -8.876 1.00 0.00 O ATOM 790 CB VAL A 53 50.613 -15.137 -10.345 1.00 0.00 C ATOM 791 CG1 VAL A 53 51.188 -14.860 -11.726 1.00 0.00 C ATOM 792 CG2 VAL A 53 50.285 -16.614 -10.182 1.00 0.00 C ATOM 0 H VAL A 53 51.453 -12.783 -10.134 1.00 0.00 H new ATOM 0 HA VAL A 53 51.171 -14.917 -8.273 1.00 0.00 H new ATOM 0 HB VAL A 53 49.689 -14.569 -10.242 1.00 0.00 H new ATOM 0 HG11 VAL A 53 50.481 -15.190 -12.487 1.00 0.00 H new ATOM 0 HG12 VAL A 53 51.368 -13.791 -11.837 1.00 0.00 H new ATOM 0 HG13 VAL A 53 52.127 -15.400 -11.844 1.00 0.00 H new ATOM 0 HG21 VAL A 53 49.591 -16.921 -10.965 1.00 0.00 H new ATOM 0 HG22 VAL A 53 51.201 -17.201 -10.258 1.00 0.00 H new ATOM 0 HG23 VAL A 53 49.828 -16.780 -9.206 1.00 0.00 H new ATOM 802 N ASP A 54 53.826 -14.825 -10.180 1.00 0.00 N ATOM 803 CA ASP A 54 55.131 -15.428 -10.423 1.00 0.00 C ATOM 804 C ASP A 54 56.002 -15.361 -9.172 1.00 0.00 C ATOM 805 O ASP A 54 56.876 -16.203 -8.966 1.00 0.00 O ATOM 806 CB ASP A 54 55.833 -14.725 -11.586 1.00 0.00 C ATOM 807 CG ASP A 54 55.929 -13.226 -11.384 1.00 0.00 C ATOM 808 OD1 ASP A 54 54.871 -12.563 -11.353 1.00 0.00 O ATOM 809 OD2 ASP A 54 57.061 -12.715 -11.257 1.00 0.00 O ATOM 0 H ASP A 54 53.686 -13.925 -10.639 1.00 0.00 H new ATOM 0 HA ASP A 54 54.977 -16.476 -10.681 1.00 0.00 H new ATOM 0 HB2 ASP A 54 56.835 -15.137 -11.704 1.00 0.00 H new ATOM 0 HB3 ASP A 54 55.293 -14.930 -12.510 1.00 0.00 H new ATOM 814 N SER A 55 55.756 -14.355 -8.339 1.00 0.00 N ATOM 815 CA SER A 55 56.521 -14.175 -7.111 1.00 0.00 C ATOM 816 C SER A 55 56.047 -15.141 -6.030 1.00 0.00 C ATOM 817 O SER A 55 56.809 -15.518 -5.139 1.00 0.00 O ATOM 818 CB SER A 55 56.396 -12.734 -6.613 1.00 0.00 C ATOM 819 OG SER A 55 55.185 -12.544 -5.901 1.00 0.00 O ATOM 0 H SER A 55 55.033 -13.652 -8.492 1.00 0.00 H new ATOM 0 HA SER A 55 57.568 -14.386 -7.330 1.00 0.00 H new ATOM 0 HB2 SER A 55 57.242 -12.494 -5.969 1.00 0.00 H new ATOM 0 HB3 SER A 55 56.435 -12.049 -7.460 1.00 0.00 H new ATOM 0 HG SER A 55 54.438 -12.903 -6.424 1.00 0.00 H new ATOM 825 N LEU A 56 54.782 -15.539 -6.114 1.00 0.00 N ATOM 826 CA LEU A 56 54.204 -16.462 -5.144 1.00 0.00 C ATOM 827 C LEU A 56 55.062 -17.716 -5.006 1.00 0.00 C ATOM 828 O LEU A 56 55.786 -18.088 -5.929 1.00 0.00 O ATOM 829 CB LEU A 56 52.783 -16.846 -5.560 1.00 0.00 C ATOM 830 CG LEU A 56 51.651 -16.144 -4.809 1.00 0.00 C ATOM 831 CD1 LEU A 56 50.302 -16.521 -5.402 1.00 0.00 C ATOM 832 CD2 LEU A 56 51.699 -16.488 -3.328 1.00 0.00 C ATOM 0 H LEU A 56 54.137 -15.237 -6.844 1.00 0.00 H new ATOM 0 HA LEU A 56 54.170 -15.960 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 56 52.669 -16.639 -6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 56 52.666 -17.922 -5.430 1.00 0.00 H new ATOM 0 HG LEU A 56 51.784 -15.067 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 56 49.509 -16.012 -4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 56 50.269 -16.223 -6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 56 50.160 -17.599 -5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 56 50.886 -15.979 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 56 51.592 -17.565 -3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 56 52.653 -16.166 -2.910 1.00 0.00 H new ATOM 844 N GLU A 57 54.974 -18.363 -3.849 1.00 0.00 N ATOM 845 CA GLU A 57 55.741 -19.576 -3.592 1.00 0.00 C ATOM 846 C GLU A 57 54.925 -20.575 -2.777 1.00 0.00 C ATOM 847 O GLU A 57 53.743 -20.355 -2.508 1.00 0.00 O ATOM 848 CB GLU A 57 57.039 -19.238 -2.854 1.00 0.00 C ATOM 849 CG GLU A 57 56.817 -18.570 -1.507 1.00 0.00 C ATOM 850 CD GLU A 57 58.114 -18.149 -0.844 1.00 0.00 C ATOM 851 OE1 GLU A 57 58.742 -17.184 -1.327 1.00 0.00 O ATOM 852 OE2 GLU A 57 58.500 -18.786 0.158 1.00 0.00 O ATOM 0 H GLU A 57 54.379 -18.068 -3.075 1.00 0.00 H new ATOM 0 HA GLU A 57 55.984 -20.031 -4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 57 57.612 -20.153 -2.706 1.00 0.00 H new ATOM 0 HB3 GLU A 57 57.643 -18.582 -3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 57 56.181 -17.695 -1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 57 56.283 -19.256 -0.849 1.00 0.00 H new ATOM 859 N LEU A 58 55.563 -21.672 -2.386 1.00 0.00 N ATOM 860 CA LEU A 58 54.897 -22.706 -1.602 1.00 0.00 C ATOM 861 C LEU A 58 54.869 -22.335 -0.123 1.00 0.00 C ATOM 862 O LEU A 58 55.904 -22.043 0.474 1.00 0.00 O ATOM 863 CB LEU A 58 55.603 -24.050 -1.788 1.00 0.00 C ATOM 864 CG LEU A 58 55.963 -24.425 -3.226 1.00 0.00 C ATOM 865 CD1 LEU A 58 56.588 -25.811 -3.276 1.00 0.00 C ATOM 866 CD2 LEU A 58 54.732 -24.360 -4.119 1.00 0.00 C ATOM 0 H LEU A 58 56.541 -21.869 -2.599 1.00 0.00 H new ATOM 0 HA LEU A 58 53.870 -22.790 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 58 56.518 -24.042 -1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 58 54.965 -24.833 -1.378 1.00 0.00 H new ATOM 0 HG LEU A 58 56.694 -23.706 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 58 56.838 -26.061 -4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 58 57.494 -25.824 -2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 58 55.881 -26.543 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 58 55.007 -24.630 -5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 58 53.978 -25.056 -3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 58 54.328 -23.348 -4.108 1.00 0.00 H new ATOM 878 N GLY A 59 53.676 -22.349 0.464 1.00 0.00 N ATOM 879 CA GLY A 59 53.536 -22.014 1.869 1.00 0.00 C ATOM 880 C GLY A 59 53.026 -20.602 2.080 1.00 0.00 C ATOM 881 O GLY A 59 53.129 -20.055 3.178 1.00 0.00 O ATOM 0 H GLY A 59 52.804 -22.586 -0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 59 52.851 -22.719 2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 59 54.501 -22.126 2.364 1.00 0.00 H new ATOM 885 N ASP A 60 52.477 -20.009 1.026 1.00 0.00 N ATOM 886 CA ASP A 60 51.950 -18.651 1.100 1.00 0.00 C ATOM 887 C ASP A 60 50.426 -18.662 1.161 1.00 0.00 C ATOM 888 O ASP A 60 49.774 -19.466 0.496 1.00 0.00 O ATOM 889 CB ASP A 60 52.419 -17.833 -0.104 1.00 0.00 C ATOM 890 CG ASP A 60 53.468 -16.804 0.269 1.00 0.00 C ATOM 891 OD1 ASP A 60 54.659 -17.172 0.345 1.00 0.00 O ATOM 892 OD2 ASP A 60 53.098 -15.630 0.485 1.00 0.00 O ATOM 0 H ASP A 60 52.385 -20.447 0.110 1.00 0.00 H new ATOM 0 HA ASP A 60 52.329 -18.190 2.012 1.00 0.00 H new ATOM 0 HB2 ASP A 60 52.826 -18.505 -0.860 1.00 0.00 H new ATOM 0 HB3 ASP A 60 51.563 -17.329 -0.553 1.00 0.00 H new ATOM 897 N MET A 61 49.865 -17.765 1.965 1.00 0.00 N ATOM 898 CA MET A 61 48.417 -17.672 2.113 1.00 0.00 C ATOM 899 C MET A 61 47.801 -16.890 0.957 1.00 0.00 C ATOM 900 O MET A 61 48.372 -15.905 0.488 1.00 0.00 O ATOM 901 CB MET A 61 48.060 -17.005 3.443 1.00 0.00 C ATOM 902 CG MET A 61 47.854 -17.991 4.581 1.00 0.00 C ATOM 903 SD MET A 61 48.813 -17.568 6.049 1.00 0.00 S ATOM 904 CE MET A 61 50.415 -18.239 5.611 1.00 0.00 C ATOM 0 H MET A 61 50.390 -17.093 2.524 1.00 0.00 H new ATOM 0 HA MET A 61 48.010 -18.683 2.102 1.00 0.00 H new ATOM 0 HB2 MET A 61 48.853 -16.309 3.715 1.00 0.00 H new ATOM 0 HB3 MET A 61 47.151 -16.418 3.313 1.00 0.00 H new ATOM 0 HG2 MET A 61 46.796 -18.025 4.840 1.00 0.00 H new ATOM 0 HG3 MET A 61 48.132 -18.990 4.246 1.00 0.00 H new ATOM 0 HE1 MET A 61 51.120 -18.056 6.422 1.00 0.00 H new ATOM 0 HE2 MET A 61 50.326 -19.312 5.443 1.00 0.00 H new ATOM 0 HE3 MET A 61 50.775 -17.758 4.702 1.00 0.00 H new ATOM 914 N VAL A 62 46.635 -17.335 0.502 1.00 0.00 N ATOM 915 CA VAL A 62 45.942 -16.676 -0.599 1.00 0.00 C ATOM 916 C VAL A 62 44.431 -16.717 -0.400 1.00 0.00 C ATOM 917 O VAL A 62 43.911 -17.586 0.299 1.00 0.00 O ATOM 918 CB VAL A 62 46.289 -17.328 -1.951 1.00 0.00 C ATOM 919 CG1 VAL A 62 47.728 -17.023 -2.336 1.00 0.00 C ATOM 920 CG2 VAL A 62 46.049 -18.829 -1.895 1.00 0.00 C ATOM 0 H VAL A 62 46.150 -18.149 0.879 1.00 0.00 H new ATOM 0 HA VAL A 62 46.276 -15.639 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 62 45.637 -16.908 -2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 62 47.956 -17.491 -3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 62 47.862 -15.944 -2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 62 48.400 -17.414 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 62 46.299 -19.274 -2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 62 46.675 -19.269 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 62 45.000 -19.022 -1.668 1.00 0.00 H new ATOM 930 N GLU A 63 43.732 -15.772 -1.021 1.00 0.00 N ATOM 931 CA GLU A 63 42.279 -15.701 -0.912 1.00 0.00 C ATOM 932 C GLU A 63 41.613 -16.161 -2.206 1.00 0.00 C ATOM 933 O GLU A 63 42.166 -15.997 -3.294 1.00 0.00 O ATOM 934 CB GLU A 63 41.840 -14.274 -0.579 1.00 0.00 C ATOM 935 CG GLU A 63 40.513 -14.201 0.158 1.00 0.00 C ATOM 936 CD GLU A 63 39.365 -13.796 -0.746 1.00 0.00 C ATOM 937 OE1 GLU A 63 39.331 -12.621 -1.169 1.00 0.00 O ATOM 938 OE2 GLU A 63 38.502 -14.652 -1.030 1.00 0.00 O ATOM 0 H GLU A 63 44.148 -15.046 -1.604 1.00 0.00 H new ATOM 0 HA GLU A 63 41.968 -16.367 -0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 63 42.610 -13.799 0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 63 41.765 -13.701 -1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 63 40.295 -15.172 0.603 1.00 0.00 H new ATOM 0 HG3 GLU A 63 40.595 -13.486 0.977 1.00 0.00 H new ATOM 945 N TYR A 64 40.424 -16.738 -2.078 1.00 0.00 N ATOM 946 CA TYR A 64 39.683 -17.226 -3.236 1.00 0.00 C ATOM 947 C TYR A 64 38.226 -17.500 -2.874 1.00 0.00 C ATOM 948 O TYR A 64 37.816 -17.325 -1.727 1.00 0.00 O ATOM 949 CB TYR A 64 40.332 -18.497 -3.785 1.00 0.00 C ATOM 950 CG TYR A 64 40.257 -19.673 -2.838 1.00 0.00 C ATOM 951 CD1 TYR A 64 39.166 -20.532 -2.850 1.00 0.00 C ATOM 952 CD2 TYR A 64 41.279 -19.926 -1.931 1.00 0.00 C ATOM 953 CE1 TYR A 64 39.093 -21.607 -1.986 1.00 0.00 C ATOM 954 CE2 TYR A 64 41.216 -20.999 -1.064 1.00 0.00 C ATOM 955 CZ TYR A 64 40.120 -21.837 -1.095 1.00 0.00 C ATOM 956 OH TYR A 64 40.052 -22.908 -0.233 1.00 0.00 O ATOM 0 H TYR A 64 39.952 -16.880 -1.185 1.00 0.00 H new ATOM 0 HA TYR A 64 39.709 -16.453 -4.004 1.00 0.00 H new ATOM 0 HB2 TYR A 64 39.848 -18.766 -4.724 1.00 0.00 H new ATOM 0 HB3 TYR A 64 41.378 -18.291 -4.013 1.00 0.00 H new ATOM 0 HD1 TYR A 64 38.360 -20.356 -3.547 1.00 0.00 H new ATOM 0 HD2 TYR A 64 42.138 -19.272 -1.904 1.00 0.00 H new ATOM 0 HE1 TYR A 64 38.236 -22.264 -2.008 1.00 0.00 H new ATOM 0 HE2 TYR A 64 42.020 -21.181 -0.366 1.00 0.00 H new ATOM 0 HH TYR A 64 40.560 -22.706 0.580 1.00 0.00 H new ATOM 966 N SER A 65 37.450 -17.934 -3.862 1.00 0.00 N ATOM 967 CA SER A 65 36.038 -18.231 -3.650 1.00 0.00 C ATOM 968 C SER A 65 35.571 -19.344 -4.584 1.00 0.00 C ATOM 969 O SER A 65 36.294 -19.751 -5.494 1.00 0.00 O ATOM 970 CB SER A 65 35.192 -16.975 -3.872 1.00 0.00 C ATOM 971 OG SER A 65 35.670 -16.227 -4.976 1.00 0.00 O ATOM 0 H SER A 65 37.775 -18.088 -4.817 1.00 0.00 H new ATOM 0 HA SER A 65 35.913 -18.567 -2.621 1.00 0.00 H new ATOM 0 HB2 SER A 65 34.153 -17.258 -4.043 1.00 0.00 H new ATOM 0 HB3 SER A 65 35.211 -16.357 -2.974 1.00 0.00 H new ATOM 0 HG SER A 65 35.112 -15.431 -5.098 1.00 0.00 H new ATOM 977 N LEU A 66 34.357 -19.831 -4.351 1.00 0.00 N ATOM 978 CA LEU A 66 33.792 -20.898 -5.170 1.00 0.00 C ATOM 979 C LEU A 66 32.398 -20.523 -5.666 1.00 0.00 C ATOM 980 O LEU A 66 31.619 -19.900 -4.945 1.00 0.00 O ATOM 981 CB LEU A 66 33.728 -22.201 -4.373 1.00 0.00 C ATOM 982 CG LEU A 66 35.061 -22.725 -3.836 1.00 0.00 C ATOM 983 CD1 LEU A 66 34.835 -23.908 -2.907 1.00 0.00 C ATOM 984 CD2 LEU A 66 35.982 -23.115 -4.983 1.00 0.00 C ATOM 0 H LEU A 66 33.746 -19.505 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 66 34.440 -21.040 -6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 66 33.052 -22.056 -3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 66 33.287 -22.970 -5.007 1.00 0.00 H new ATOM 0 HG LEU A 66 35.539 -21.928 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.795 -24.267 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 66 34.213 -23.598 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 66 34.335 -24.708 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 66 36.925 -23.485 -4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 66 35.510 -23.895 -5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 66 36.171 -22.244 -5.610 1.00 0.00 H new ATOM 1117 N SER A 75 36.242 -24.500 -9.156 1.00 0.00 N ATOM 1118 CA SER A 75 37.529 -23.816 -9.202 1.00 0.00 C ATOM 1119 C SER A 75 37.468 -22.493 -8.445 1.00 0.00 C ATOM 1120 O SER A 75 36.424 -22.115 -7.916 1.00 0.00 O ATOM 1121 CB SER A 75 37.947 -23.567 -10.653 1.00 0.00 C ATOM 1122 OG SER A 75 36.828 -23.614 -11.521 1.00 0.00 O ATOM 0 HA SER A 75 38.270 -24.456 -8.723 1.00 0.00 H new ATOM 0 HB2 SER A 75 38.433 -22.595 -10.733 1.00 0.00 H new ATOM 0 HB3 SER A 75 38.679 -24.315 -10.957 1.00 0.00 H new ATOM 0 HG SER A 75 36.111 -24.134 -11.102 1.00 0.00 H new ATOM 1128 N ALA A 76 38.597 -21.793 -8.398 1.00 0.00 N ATOM 1129 CA ALA A 76 38.674 -20.512 -7.708 1.00 0.00 C ATOM 1130 C ALA A 76 38.368 -19.358 -8.657 1.00 0.00 C ATOM 1131 O ALA A 76 38.321 -19.539 -9.873 1.00 0.00 O ATOM 1132 CB ALA A 76 40.048 -20.331 -7.079 1.00 0.00 C ATOM 0 H ALA A 76 39.471 -22.092 -8.830 1.00 0.00 H new ATOM 0 HA ALA A 76 37.923 -20.508 -6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 76 40.090 -19.370 -6.567 1.00 0.00 H new ATOM 0 HB2 ALA A 76 40.228 -21.132 -6.362 1.00 0.00 H new ATOM 0 HB3 ALA A 76 40.811 -20.362 -7.857 1.00 0.00 H new ATOM 1138 N GLU A 77 38.161 -18.172 -8.092 1.00 0.00 N ATOM 1139 CA GLU A 77 37.859 -16.989 -8.890 1.00 0.00 C ATOM 1140 C GLU A 77 38.357 -15.724 -8.198 1.00 0.00 C ATOM 1141 O GLU A 77 38.159 -15.541 -6.996 1.00 0.00 O ATOM 1142 CB GLU A 77 36.353 -16.888 -9.141 1.00 0.00 C ATOM 1143 CG GLU A 77 35.520 -16.923 -7.870 1.00 0.00 C ATOM 1144 CD GLU A 77 34.046 -17.148 -8.144 1.00 0.00 C ATOM 1145 OE1 GLU A 77 33.477 -16.410 -8.976 1.00 0.00 O ATOM 1146 OE2 GLU A 77 33.461 -18.062 -7.527 1.00 0.00 O ATOM 0 H GLU A 77 38.197 -18.005 -7.086 1.00 0.00 H new ATOM 0 HA GLU A 77 38.374 -17.085 -9.846 1.00 0.00 H new ATOM 0 HB2 GLU A 77 36.144 -15.962 -9.677 1.00 0.00 H new ATOM 0 HB3 GLU A 77 36.045 -17.708 -9.790 1.00 0.00 H new ATOM 0 HG2 GLU A 77 35.890 -17.716 -7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 77 35.646 -15.984 -7.331 1.00 0.00 H new ATOM 1153 N LYS A 78 39.005 -14.854 -8.964 1.00 0.00 N ATOM 1154 CA LYS A 78 39.532 -13.605 -8.427 1.00 0.00 C ATOM 1155 C LYS A 78 40.494 -13.871 -7.274 1.00 0.00 C ATOM 1156 O LYS A 78 40.358 -13.298 -6.194 1.00 0.00 O ATOM 1157 CB LYS A 78 38.387 -12.706 -7.953 1.00 0.00 C ATOM 1158 CG LYS A 78 37.286 -12.529 -8.983 1.00 0.00 C ATOM 1159 CD LYS A 78 36.119 -11.734 -8.422 1.00 0.00 C ATOM 1160 CE LYS A 78 36.382 -10.237 -8.487 1.00 0.00 C ATOM 1161 NZ LYS A 78 35.659 -9.500 -7.414 1.00 0.00 N ATOM 0 H LYS A 78 39.178 -14.991 -9.960 1.00 0.00 H new ATOM 0 HA LYS A 78 40.078 -13.099 -9.223 1.00 0.00 H new ATOM 0 HB2 LYS A 78 37.958 -13.127 -7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 78 38.789 -11.727 -7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 78 37.686 -12.020 -9.860 1.00 0.00 H new ATOM 0 HG3 LYS A 78 36.936 -13.507 -9.314 1.00 0.00 H new ATOM 0 HD2 LYS A 78 35.214 -11.970 -8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 78 35.940 -12.029 -7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 78 37.452 -10.052 -8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 78 36.074 -9.856 -9.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 35.864 -8.483 -7.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 34.636 -9.656 -7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 35.972 -9.846 -6.484 1.00 0.00 H new ATOM 1175 N VAL A 79 41.468 -14.744 -7.512 1.00 0.00 N ATOM 1176 CA VAL A 79 42.455 -15.085 -6.494 1.00 0.00 C ATOM 1177 C VAL A 79 43.429 -13.934 -6.266 1.00 0.00 C ATOM 1178 O VAL A 79 43.935 -13.338 -7.216 1.00 0.00 O ATOM 1179 CB VAL A 79 43.250 -16.345 -6.883 1.00 0.00 C ATOM 1180 CG1 VAL A 79 44.174 -16.764 -5.750 1.00 0.00 C ATOM 1181 CG2 VAL A 79 42.304 -17.477 -7.257 1.00 0.00 C ATOM 0 H VAL A 79 41.595 -15.228 -8.401 1.00 0.00 H new ATOM 0 HA VAL A 79 41.905 -15.281 -5.573 1.00 0.00 H new ATOM 0 HB VAL A 79 43.864 -16.112 -7.753 1.00 0.00 H new ATOM 0 HG11 VAL A 79 44.728 -17.656 -6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 79 44.874 -15.957 -5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 79 43.583 -16.980 -4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 79 42.883 -18.360 -7.529 1.00 0.00 H new ATOM 0 HG22 VAL A 79 41.663 -17.711 -6.407 1.00 0.00 H new ATOM 0 HG23 VAL A 79 41.688 -17.172 -8.103 1.00 0.00 H new ATOM 1191 N ASN A 80 43.687 -13.627 -4.999 1.00 0.00 N ATOM 1192 CA ASN A 80 44.600 -12.546 -4.645 1.00 0.00 C ATOM 1193 C ASN A 80 45.338 -12.861 -3.347 1.00 0.00 C ATOM 1194 O ASN A 80 44.766 -13.431 -2.418 1.00 0.00 O ATOM 1195 CB ASN A 80 43.835 -11.229 -4.504 1.00 0.00 C ATOM 1196 CG ASN A 80 43.021 -11.167 -3.226 1.00 0.00 C ATOM 1197 OD1 ASN A 80 42.102 -11.961 -3.023 1.00 0.00 O ATOM 1198 ND2 ASN A 80 43.356 -10.221 -2.356 1.00 0.00 N ATOM 0 H ASN A 80 43.277 -14.111 -4.200 1.00 0.00 H new ATOM 0 HA ASN A 80 45.334 -12.447 -5.445 1.00 0.00 H new ATOM 0 HB2 ASN A 80 44.541 -10.398 -4.523 1.00 0.00 H new ATOM 0 HB3 ASN A 80 43.172 -11.104 -5.360 1.00 0.00 H new ATOM 0 HD21 ASN A 80 42.844 -10.131 -1.478 1.00 0.00 H new ATOM 0 HD22 ASN A 80 44.125 -9.584 -2.566 1.00 0.00 H new ATOM 1205 N LYS A 81 46.611 -12.484 -3.290 1.00 0.00 N ATOM 1206 CA LYS A 81 47.428 -12.723 -2.107 1.00 0.00 C ATOM 1207 C LYS A 81 46.974 -11.844 -0.946 1.00 0.00 C ATOM 1208 O LYS A 81 46.719 -10.651 -1.119 1.00 0.00 O ATOM 1209 CB LYS A 81 48.902 -12.456 -2.417 1.00 0.00 C ATOM 1210 CG LYS A 81 49.777 -13.695 -2.325 1.00 0.00 C ATOM 1211 CD LYS A 81 51.152 -13.366 -1.769 1.00 0.00 C ATOM 1212 CE LYS A 81 52.022 -12.672 -2.806 1.00 0.00 C ATOM 1213 NZ LYS A 81 52.702 -11.472 -2.246 1.00 0.00 N ATOM 0 H LYS A 81 47.099 -12.011 -4.051 1.00 0.00 H new ATOM 0 HA LYS A 81 47.308 -13.767 -1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 81 48.984 -12.037 -3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 81 49.279 -11.703 -1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 81 49.294 -14.436 -1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 81 49.881 -14.143 -3.313 1.00 0.00 H new ATOM 0 HD2 LYS A 81 51.048 -12.726 -0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 81 51.640 -14.282 -1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 81 52.770 -13.372 -3.180 1.00 0.00 H new ATOM 0 HE3 LYS A 81 51.408 -12.377 -3.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 53.285 -11.027 -2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 51.989 -10.793 -1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 53.308 -11.756 -1.450 1.00 0.00 H new ATOM 1227 N THR A 82 46.877 -12.439 0.239 1.00 0.00 N ATOM 1228 CA THR A 82 46.455 -11.710 1.428 1.00 0.00 C ATOM 1229 C THR A 82 47.377 -11.999 2.607 1.00 0.00 C ATOM 1230 O THR A 82 47.732 -13.150 2.861 1.00 0.00 O ATOM 1231 CB THR A 82 45.009 -12.067 1.822 1.00 0.00 C ATOM 1232 OG1 THR A 82 44.573 -11.227 2.897 1.00 0.00 O ATOM 1233 CG2 THR A 82 44.906 -13.526 2.238 1.00 0.00 C ATOM 0 H THR A 82 47.085 -13.424 0.400 1.00 0.00 H new ATOM 0 HA THR A 82 46.506 -10.649 1.183 1.00 0.00 H new ATOM 0 HB THR A 82 44.369 -11.907 0.954 1.00 0.00 H new ATOM 0 HG1 THR A 82 43.652 -11.459 3.141 1.00 0.00 H new ATOM 0 HG21 THR A 82 43.876 -13.754 2.512 1.00 0.00 H new ATOM 0 HG22 THR A 82 45.211 -14.163 1.408 1.00 0.00 H new ATOM 0 HG23 THR A 82 45.557 -13.707 3.093 1.00 0.00 H new