USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 431 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= -0.011 (180deg=-0.104) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.291 X(o=-0.29,f=-0.66) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.0648 X(o=-0.065,f=0.0024) USER MOD Single : A 46 TYR OH : rot 60:sc= 0.624 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -162:sc= -0.0238 (180deg=-0.2) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0658 USER MOD Single : A 75 SER OG : rot -30:sc= 0.343 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.287 K(o=-0.29,f=-2.7!) 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 34.307 -15.449 1.654 1.00 0.00 N ATOM 232 CA ARG A 18 35.753 -15.469 1.466 1.00 0.00 C ATOM 233 C ARG A 18 36.374 -16.684 2.150 1.00 0.00 C ATOM 234 O ARG A 18 35.883 -17.146 3.181 1.00 0.00 O ATOM 235 CB ARG A 18 36.378 -14.186 2.015 1.00 0.00 C ATOM 236 CG ARG A 18 36.126 -13.971 3.498 1.00 0.00 C ATOM 237 CD ARG A 18 37.249 -14.550 4.344 1.00 0.00 C ATOM 238 NE ARG A 18 37.452 -13.793 5.576 1.00 0.00 N ATOM 239 CZ ARG A 18 38.525 -13.920 6.349 1.00 0.00 C ATOM 240 NH1 ARG A 18 39.487 -14.769 6.018 1.00 0.00 N ATOM 241 NH2 ARG A 18 38.637 -13.196 7.455 1.00 0.00 N ATOM 0 HA ARG A 18 35.954 -15.534 0.397 1.00 0.00 H new ATOM 0 HB2 ARG A 18 37.453 -14.211 1.838 1.00 0.00 H new ATOM 0 HB3 ARG A 18 35.984 -13.334 1.461 1.00 0.00 H new ATOM 0 HG2 ARG A 18 36.029 -12.904 3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 18 35.181 -14.436 3.779 1.00 0.00 H new ATOM 0 HD2 ARG A 18 37.020 -15.587 4.589 1.00 0.00 H new ATOM 0 HD3 ARG A 18 38.173 -14.556 3.766 1.00 0.00 H new ATOM 0 HE ARG A 18 36.730 -13.130 5.859 1.00 0.00 H new ATOM 0 HH11 ARG A 18 39.405 -15.327 5.168 1.00 0.00 H new ATOM 0 HH12 ARG A 18 40.310 -14.865 6.613 1.00 0.00 H new ATOM 0 HH21 ARG A 18 37.899 -12.541 7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 18 39.461 -13.294 8.048 1.00 0.00 H new ATOM 255 N LEU A 19 37.454 -17.195 1.571 1.00 0.00 N ATOM 256 CA LEU A 19 38.142 -18.357 2.124 1.00 0.00 C ATOM 257 C LEU A 19 39.652 -18.223 1.962 1.00 0.00 C ATOM 258 O LEU A 19 40.134 -17.386 1.197 1.00 0.00 O ATOM 259 CB LEU A 19 37.655 -19.636 1.441 1.00 0.00 C ATOM 260 CG LEU A 19 36.142 -19.852 1.421 1.00 0.00 C ATOM 261 CD1 LEU A 19 35.759 -20.846 0.335 1.00 0.00 C ATOM 262 CD2 LEU A 19 35.652 -20.330 2.780 1.00 0.00 C ATOM 0 H LEU A 19 37.873 -16.823 0.718 1.00 0.00 H new ATOM 0 HA LEU A 19 37.913 -18.412 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 19 38.015 -19.634 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 19 38.117 -20.488 1.939 1.00 0.00 H new ATOM 0 HG LEU A 19 35.662 -18.899 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.678 -20.987 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.074 -20.464 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.250 -21.800 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.573 -20.478 2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.140 -21.272 3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.892 -19.583 3.537 1.00 0.00 H new ATOM 274 N LEU A 20 40.395 -19.053 2.685 1.00 0.00 N ATOM 275 CA LEU A 20 41.853 -19.030 2.620 1.00 0.00 C ATOM 276 C LEU A 20 42.409 -20.427 2.367 1.00 0.00 C ATOM 277 O LEU A 20 41.729 -21.427 2.591 1.00 0.00 O ATOM 278 CB LEU A 20 42.432 -18.466 3.919 1.00 0.00 C ATOM 279 CG LEU A 20 42.092 -17.008 4.228 1.00 0.00 C ATOM 280 CD1 LEU A 20 42.542 -16.641 5.634 1.00 0.00 C ATOM 281 CD2 LEU A 20 42.730 -16.082 3.203 1.00 0.00 C ATOM 0 H LEU A 20 40.013 -19.751 3.323 1.00 0.00 H new ATOM 0 HA LEU A 20 42.145 -18.387 1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 20 42.083 -19.083 4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 20 43.517 -18.565 3.883 1.00 0.00 H new ATOM 0 HG LEU A 20 41.010 -16.888 4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 20 42.292 -15.600 5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 20 42.037 -17.282 6.357 1.00 0.00 H new ATOM 0 HD13 LEU A 20 43.620 -16.778 5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 20 42.477 -15.048 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 20 43.813 -16.205 3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 20 42.358 -16.328 2.209 1.00 0.00 H new ATOM 293 N GLY A 21 43.652 -20.488 1.899 1.00 0.00 N ATOM 294 CA GLY A 21 44.280 -21.767 1.625 1.00 0.00 C ATOM 295 C GLY A 21 45.793 -21.680 1.610 1.00 0.00 C ATOM 296 O GLY A 21 46.374 -20.757 2.183 1.00 0.00 O ATOM 0 H GLY A 21 44.235 -19.674 1.705 1.00 0.00 H new ATOM 0 HA2 GLY A 21 43.968 -22.490 2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 21 43.931 -22.140 0.662 1.00 0.00 H new ATOM 300 N TYR A 22 46.434 -22.642 0.956 1.00 0.00 N ATOM 301 CA TYR A 22 47.889 -22.672 0.872 1.00 0.00 C ATOM 302 C TYR A 22 48.346 -23.158 -0.500 1.00 0.00 C ATOM 303 O TYR A 22 47.861 -24.170 -1.006 1.00 0.00 O ATOM 304 CB TYR A 22 48.465 -23.575 1.964 1.00 0.00 C ATOM 305 CG TYR A 22 47.968 -23.239 3.352 1.00 0.00 C ATOM 306 CD1 TYR A 22 48.480 -22.153 4.051 1.00 0.00 C ATOM 307 CD2 TYR A 22 46.985 -24.007 3.964 1.00 0.00 C ATOM 308 CE1 TYR A 22 48.030 -21.843 5.320 1.00 0.00 C ATOM 309 CE2 TYR A 22 46.528 -23.704 5.232 1.00 0.00 C ATOM 310 CZ TYR A 22 47.054 -22.621 5.906 1.00 0.00 C ATOM 311 OH TYR A 22 46.601 -22.315 7.169 1.00 0.00 O ATOM 0 H TYR A 22 45.968 -23.412 0.476 1.00 0.00 H new ATOM 0 HA TYR A 22 48.257 -21.656 1.018 1.00 0.00 H new ATOM 0 HB2 TYR A 22 48.213 -24.611 1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 22 49.552 -23.501 1.949 1.00 0.00 H new ATOM 0 HD1 TYR A 22 49.243 -21.540 3.594 1.00 0.00 H new ATOM 0 HD2 TYR A 22 46.571 -24.855 3.439 1.00 0.00 H new ATOM 0 HE1 TYR A 22 48.440 -20.996 5.850 1.00 0.00 H new ATOM 0 HE2 TYR A 22 45.763 -24.311 5.693 1.00 0.00 H new ATOM 0 HH TYR A 22 45.913 -22.960 7.435 1.00 0.00 H new ATOM 321 N VAL A 23 49.285 -22.430 -1.096 1.00 0.00 N ATOM 322 CA VAL A 23 49.810 -22.787 -2.408 1.00 0.00 C ATOM 323 C VAL A 23 50.411 -24.188 -2.397 1.00 0.00 C ATOM 324 O VAL A 23 51.509 -24.400 -1.883 1.00 0.00 O ATOM 325 CB VAL A 23 50.882 -21.784 -2.875 1.00 0.00 C ATOM 326 CG1 VAL A 23 51.434 -22.186 -4.234 1.00 0.00 C ATOM 327 CG2 VAL A 23 50.311 -20.375 -2.918 1.00 0.00 C ATOM 0 H VAL A 23 49.697 -21.590 -0.691 1.00 0.00 H new ATOM 0 HA VAL A 23 48.971 -22.761 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 23 51.703 -21.797 -2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 23 52.190 -21.466 -4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 23 51.883 -23.177 -4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 23 50.625 -22.204 -4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 23 51.082 -19.680 -3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 23 49.471 -20.344 -3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 23 49.970 -20.090 -1.923 1.00 0.00 H new ATOM 337 N ALA A 24 49.684 -25.142 -2.969 1.00 0.00 N ATOM 338 CA ALA A 24 50.146 -26.524 -3.027 1.00 0.00 C ATOM 339 C ALA A 24 51.193 -26.707 -4.121 1.00 0.00 C ATOM 340 O ALA A 24 52.271 -27.249 -3.879 1.00 0.00 O ATOM 341 CB ALA A 24 48.972 -27.464 -3.254 1.00 0.00 C ATOM 0 H ALA A 24 48.773 -24.984 -3.399 1.00 0.00 H new ATOM 0 HA ALA A 24 50.611 -26.766 -2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.332 -28.492 -3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 24 48.260 -27.361 -2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 24 48.482 -27.213 -4.195 1.00 0.00 H new ATOM 347 N THR A 25 50.867 -26.251 -5.327 1.00 0.00 N ATOM 348 CA THR A 25 51.778 -26.366 -6.459 1.00 0.00 C ATOM 349 C THR A 25 51.698 -25.136 -7.356 1.00 0.00 C ATOM 350 O THR A 25 50.609 -24.653 -7.669 1.00 0.00 O ATOM 351 CB THR A 25 51.475 -27.621 -7.299 1.00 0.00 C ATOM 352 OG1 THR A 25 51.565 -28.792 -6.480 1.00 0.00 O ATOM 353 CG2 THR A 25 52.442 -27.737 -8.467 1.00 0.00 C ATOM 0 H THR A 25 49.979 -25.799 -5.544 1.00 0.00 H new ATOM 0 HA THR A 25 52.784 -26.448 -6.048 1.00 0.00 H new ATOM 0 HB THR A 25 50.463 -27.531 -7.694 1.00 0.00 H new ATOM 0 HG1 THR A 25 51.369 -29.585 -7.021 1.00 0.00 H new ATOM 0 HG21 THR A 25 52.208 -28.631 -9.045 1.00 0.00 H new ATOM 0 HG22 THR A 25 52.350 -26.858 -9.104 1.00 0.00 H new ATOM 0 HG23 THR A 25 53.462 -27.806 -8.089 1.00 0.00 H new ATOM 361 N LEU A 26 52.857 -24.634 -7.768 1.00 0.00 N ATOM 362 CA LEU A 26 52.918 -23.460 -8.632 1.00 0.00 C ATOM 363 C LEU A 26 53.699 -23.761 -9.907 1.00 0.00 C ATOM 364 O LEU A 26 54.917 -23.933 -9.876 1.00 0.00 O ATOM 365 CB LEU A 26 53.565 -22.289 -7.889 1.00 0.00 C ATOM 366 CG LEU A 26 52.611 -21.206 -7.384 1.00 0.00 C ATOM 367 CD1 LEU A 26 53.324 -20.279 -6.411 1.00 0.00 C ATOM 368 CD2 LEU A 26 52.035 -20.416 -8.550 1.00 0.00 C ATOM 0 H LEU A 26 53.767 -25.021 -7.518 1.00 0.00 H new ATOM 0 HA LEU A 26 51.899 -23.190 -8.908 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.116 -22.686 -7.037 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.294 -21.823 -8.551 1.00 0.00 H new ATOM 0 HG LEU A 26 51.788 -21.690 -6.858 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.630 -19.515 -6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.688 -20.855 -5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 26 54.166 -19.803 -6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 26 51.358 -19.650 -8.171 1.00 0.00 H new ATOM 0 HD22 LEU A 26 52.845 -19.943 -9.104 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.488 -21.089 -9.210 1.00 0.00 H new ATOM 380 N LYS A 27 52.989 -23.823 -11.029 1.00 0.00 N ATOM 381 CA LYS A 27 53.614 -24.100 -12.316 1.00 0.00 C ATOM 382 C LYS A 27 53.885 -22.807 -13.079 1.00 0.00 C ATOM 383 O LYS A 27 53.733 -21.712 -12.537 1.00 0.00 O ATOM 384 CB LYS A 27 52.722 -25.020 -13.152 1.00 0.00 C ATOM 385 CG LYS A 27 52.323 -26.298 -12.434 1.00 0.00 C ATOM 386 CD LYS A 27 53.540 -27.101 -12.008 1.00 0.00 C ATOM 387 CE LYS A 27 53.489 -28.520 -12.554 1.00 0.00 C ATOM 388 NZ LYS A 27 53.572 -28.547 -14.040 1.00 0.00 N ATOM 0 H LYS A 27 51.979 -23.685 -11.072 1.00 0.00 H new ATOM 0 HA LYS A 27 54.566 -24.598 -12.130 1.00 0.00 H new ATOM 0 HB2 LYS A 27 51.821 -24.477 -13.437 1.00 0.00 H new ATOM 0 HB3 LYS A 27 53.244 -25.279 -14.073 1.00 0.00 H new ATOM 0 HG2 LYS A 27 51.723 -26.052 -11.558 1.00 0.00 H new ATOM 0 HG3 LYS A 27 51.697 -26.904 -13.089 1.00 0.00 H new ATOM 0 HD2 LYS A 27 54.445 -26.607 -12.360 1.00 0.00 H new ATOM 0 HD3 LYS A 27 53.596 -27.130 -10.920 1.00 0.00 H new ATOM 0 HE2 LYS A 27 54.311 -29.100 -12.134 1.00 0.00 H new ATOM 0 HE3 LYS A 27 52.564 -28.999 -12.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 53.839 -29.501 -14.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 52.648 -28.294 -14.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 54.288 -27.864 -14.360 1.00 0.00 H new ATOM 402 N ASP A 28 54.286 -22.942 -14.338 1.00 0.00 N ATOM 403 CA ASP A 28 54.575 -21.784 -15.176 1.00 0.00 C ATOM 404 C ASP A 28 53.380 -21.439 -16.059 1.00 0.00 C ATOM 405 O ASP A 28 53.531 -21.181 -17.252 1.00 0.00 O ATOM 406 CB ASP A 28 55.806 -22.051 -16.045 1.00 0.00 C ATOM 407 CG ASP A 28 56.990 -22.541 -15.235 1.00 0.00 C ATOM 408 OD1 ASP A 28 57.592 -21.722 -14.510 1.00 0.00 O ATOM 409 OD2 ASP A 28 57.316 -23.743 -15.327 1.00 0.00 O ATOM 0 H ASP A 28 54.418 -23.841 -14.801 1.00 0.00 H new ATOM 0 HA ASP A 28 54.777 -20.936 -14.522 1.00 0.00 H new ATOM 0 HB2 ASP A 28 55.557 -22.792 -16.805 1.00 0.00 H new ATOM 0 HB3 ASP A 28 56.082 -21.137 -16.570 1.00 0.00 H new ATOM 414 N ASN A 29 52.192 -21.439 -15.464 1.00 0.00 N ATOM 415 CA ASN A 29 50.970 -21.127 -16.196 1.00 0.00 C ATOM 416 C ASN A 29 49.761 -21.131 -15.265 1.00 0.00 C ATOM 417 O ASN A 29 48.881 -20.277 -15.369 1.00 0.00 O ATOM 418 CB ASN A 29 50.758 -22.135 -17.328 1.00 0.00 C ATOM 419 CG ASN A 29 50.250 -21.480 -18.598 1.00 0.00 C ATOM 420 OD1 ASN A 29 50.903 -20.601 -19.161 1.00 0.00 O ATOM 421 ND2 ASN A 29 49.078 -21.905 -19.054 1.00 0.00 N ATOM 0 H ASN A 29 52.049 -21.652 -14.477 1.00 0.00 H new ATOM 0 HA ASN A 29 51.076 -20.129 -16.621 1.00 0.00 H new ATOM 0 HB2 ASN A 29 51.698 -22.646 -17.537 1.00 0.00 H new ATOM 0 HB3 ASN A 29 50.047 -22.895 -17.005 1.00 0.00 H new ATOM 0 HD21 ASN A 29 48.684 -21.501 -19.904 1.00 0.00 H new ATOM 0 HD22 ASN A 29 48.571 -22.636 -18.555 1.00 0.00 H new ATOM 428 N PHE A 30 49.726 -22.098 -14.354 1.00 0.00 N ATOM 429 CA PHE A 30 48.625 -22.214 -13.404 1.00 0.00 C ATOM 430 C PHE A 30 49.111 -22.788 -12.076 1.00 0.00 C ATOM 431 O PHE A 30 50.184 -23.386 -12.001 1.00 0.00 O ATOM 432 CB PHE A 30 47.518 -23.099 -13.980 1.00 0.00 C ATOM 433 CG PHE A 30 48.015 -24.414 -14.509 1.00 0.00 C ATOM 434 CD1 PHE A 30 48.475 -25.394 -13.645 1.00 0.00 C ATOM 435 CD2 PHE A 30 48.022 -24.669 -15.871 1.00 0.00 C ATOM 436 CE1 PHE A 30 48.933 -26.605 -14.129 1.00 0.00 C ATOM 437 CE2 PHE A 30 48.479 -25.878 -16.361 1.00 0.00 C ATOM 438 CZ PHE A 30 48.936 -26.847 -15.489 1.00 0.00 C ATOM 0 H PHE A 30 50.447 -22.812 -14.253 1.00 0.00 H new ATOM 0 HA PHE A 30 48.226 -21.216 -13.224 1.00 0.00 H new ATOM 0 HB2 PHE A 30 46.774 -23.286 -13.206 1.00 0.00 H new ATOM 0 HB3 PHE A 30 47.014 -22.561 -14.783 1.00 0.00 H new ATOM 0 HD1 PHE A 30 48.476 -25.210 -12.581 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.666 -23.915 -16.557 1.00 0.00 H new ATOM 0 HE1 PHE A 30 49.288 -27.361 -13.445 1.00 0.00 H new ATOM 0 HE2 PHE A 30 48.479 -26.065 -17.425 1.00 0.00 H new ATOM 0 HZ PHE A 30 49.295 -27.792 -15.870 1.00 0.00 H new ATOM 448 N GLY A 31 48.313 -22.599 -11.030 1.00 0.00 N ATOM 449 CA GLY A 31 48.679 -23.102 -9.718 1.00 0.00 C ATOM 450 C GLY A 31 47.544 -23.851 -9.048 1.00 0.00 C ATOM 451 O GLY A 31 46.453 -23.968 -9.605 1.00 0.00 O ATOM 0 H GLY A 31 47.420 -22.107 -11.067 1.00 0.00 H new ATOM 0 HA2 GLY A 31 49.541 -23.763 -9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 31 48.984 -22.269 -9.085 1.00 0.00 H new ATOM 455 N PHE A 32 47.802 -24.363 -7.849 1.00 0.00 N ATOM 456 CA PHE A 32 46.794 -25.108 -7.103 1.00 0.00 C ATOM 457 C PHE A 32 46.808 -24.714 -5.629 1.00 0.00 C ATOM 458 O PHE A 32 47.856 -24.384 -5.073 1.00 0.00 O ATOM 459 CB PHE A 32 47.034 -26.612 -7.243 1.00 0.00 C ATOM 460 CG PHE A 32 46.890 -27.114 -8.651 1.00 0.00 C ATOM 461 CD1 PHE A 32 47.919 -26.955 -9.566 1.00 0.00 C ATOM 462 CD2 PHE A 32 45.726 -27.744 -9.060 1.00 0.00 C ATOM 463 CE1 PHE A 32 47.788 -27.415 -10.862 1.00 0.00 C ATOM 464 CE2 PHE A 32 45.590 -28.207 -10.356 1.00 0.00 C ATOM 465 CZ PHE A 32 46.623 -28.043 -11.258 1.00 0.00 C ATOM 0 H PHE A 32 48.700 -24.276 -7.373 1.00 0.00 H new ATOM 0 HA PHE A 32 45.816 -24.863 -7.517 1.00 0.00 H new ATOM 0 HB2 PHE A 32 48.036 -26.847 -6.883 1.00 0.00 H new ATOM 0 HB3 PHE A 32 46.332 -27.145 -6.602 1.00 0.00 H new ATOM 0 HD1 PHE A 32 48.833 -26.466 -9.262 1.00 0.00 H new ATOM 0 HD2 PHE A 32 44.915 -27.875 -8.359 1.00 0.00 H new ATOM 0 HE1 PHE A 32 48.597 -27.284 -11.566 1.00 0.00 H new ATOM 0 HE2 PHE A 32 44.677 -28.696 -10.662 1.00 0.00 H new ATOM 0 HZ PHE A 32 46.520 -28.405 -12.270 1.00 0.00 H new ATOM 475 N ILE A 33 45.637 -24.750 -5.002 1.00 0.00 N ATOM 476 CA ILE A 33 45.514 -24.398 -3.593 1.00 0.00 C ATOM 477 C ILE A 33 45.005 -25.579 -2.773 1.00 0.00 C ATOM 478 O ILE A 33 43.974 -26.169 -3.092 1.00 0.00 O ATOM 479 CB ILE A 33 44.564 -23.202 -3.393 1.00 0.00 C ATOM 480 CG1 ILE A 33 45.061 -21.990 -4.184 1.00 0.00 C ATOM 481 CG2 ILE A 33 44.444 -22.864 -1.914 1.00 0.00 C ATOM 482 CD1 ILE A 33 44.008 -20.922 -4.376 1.00 0.00 C ATOM 0 H ILE A 33 44.760 -25.019 -5.448 1.00 0.00 H new ATOM 0 HA ILE A 33 46.511 -24.122 -3.249 1.00 0.00 H new ATOM 0 HB ILE A 33 43.576 -23.474 -3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 33 45.918 -21.556 -3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 33 45.412 -22.323 -5.161 1.00 0.00 H new ATOM 0 HG21 ILE A 33 43.770 -22.017 -1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 33 44.050 -23.725 -1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 33 45.427 -22.607 -1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 33 44.430 -20.093 -4.945 1.00 0.00 H new ATOM 0 HD12 ILE A 33 43.160 -21.340 -4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 33 43.674 -20.562 -3.403 1.00 0.00 H new ATOM 494 N GLU A 34 45.737 -25.917 -1.716 1.00 0.00 N ATOM 495 CA GLU A 34 45.359 -27.028 -0.850 1.00 0.00 C ATOM 496 C GLU A 34 44.557 -26.533 0.350 1.00 0.00 C ATOM 497 O GLU A 34 44.912 -25.538 0.982 1.00 0.00 O ATOM 498 CB GLU A 34 46.604 -27.777 -0.371 1.00 0.00 C ATOM 499 CG GLU A 34 46.610 -29.250 -0.747 1.00 0.00 C ATOM 500 CD GLU A 34 47.830 -29.981 -0.222 1.00 0.00 C ATOM 501 OE1 GLU A 34 48.939 -29.412 -0.296 1.00 0.00 O ATOM 502 OE2 GLU A 34 47.676 -31.121 0.264 1.00 0.00 O ATOM 0 H GLU A 34 46.594 -25.438 -1.439 1.00 0.00 H new ATOM 0 HA GLU A 34 44.734 -27.709 -1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 34 47.489 -27.300 -0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.678 -27.687 0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 34 45.710 -29.725 -0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 34 46.574 -29.344 -1.832 1.00 0.00 H new ATOM 509 N THR A 35 43.471 -27.236 0.660 1.00 0.00 N ATOM 510 CA THR A 35 42.617 -26.869 1.782 1.00 0.00 C ATOM 511 C THR A 35 43.218 -27.332 3.105 1.00 0.00 C ATOM 512 O THR A 35 44.131 -28.156 3.127 1.00 0.00 O ATOM 513 CB THR A 35 41.206 -27.469 1.634 1.00 0.00 C ATOM 514 OG1 THR A 35 41.276 -28.899 1.665 1.00 0.00 O ATOM 515 CG2 THR A 35 40.559 -27.015 0.334 1.00 0.00 C ATOM 0 H THR A 35 43.163 -28.063 0.149 1.00 0.00 H new ATOM 0 HA THR A 35 42.543 -25.782 1.780 1.00 0.00 H new ATOM 0 HB THR A 35 40.596 -27.118 2.467 1.00 0.00 H new ATOM 0 HG1 THR A 35 40.375 -29.273 1.572 1.00 0.00 H new ATOM 0 HG21 THR A 35 39.564 -27.451 0.251 1.00 0.00 H new ATOM 0 HG22 THR A 35 40.481 -25.928 0.327 1.00 0.00 H new ATOM 0 HG23 THR A 35 41.169 -27.340 -0.509 1.00 0.00 H new ATOM 523 N ALA A 36 42.698 -26.798 4.205 1.00 0.00 N ATOM 524 CA ALA A 36 43.181 -27.159 5.531 1.00 0.00 C ATOM 525 C ALA A 36 43.048 -28.658 5.775 1.00 0.00 C ATOM 526 O ALA A 36 43.875 -29.261 6.458 1.00 0.00 O ATOM 527 CB ALA A 36 42.426 -26.380 6.598 1.00 0.00 C ATOM 0 H ALA A 36 41.942 -26.114 4.204 1.00 0.00 H new ATOM 0 HA ALA A 36 44.238 -26.901 5.588 1.00 0.00 H new ATOM 0 HB1 ALA A 36 42.797 -26.660 7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 36 42.577 -25.312 6.443 1.00 0.00 H new ATOM 0 HB3 ALA A 36 41.363 -26.610 6.532 1.00 0.00 H new ATOM 533 N ASN A 37 42.002 -29.254 5.212 1.00 0.00 N ATOM 534 CA ASN A 37 41.760 -30.683 5.370 1.00 0.00 C ATOM 535 C ASN A 37 42.684 -31.494 4.467 1.00 0.00 C ATOM 536 O ASN A 37 42.968 -32.661 4.738 1.00 0.00 O ATOM 537 CB ASN A 37 40.300 -31.013 5.052 1.00 0.00 C ATOM 538 CG ASN A 37 39.330 -30.250 5.933 1.00 0.00 C ATOM 539 OD1 ASN A 37 39.402 -30.320 7.160 1.00 0.00 O ATOM 540 ND2 ASN A 37 38.416 -29.515 5.309 1.00 0.00 N ATOM 0 H ASN A 37 41.309 -28.769 4.642 1.00 0.00 H new ATOM 0 HA ASN A 37 41.968 -30.949 6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 37 40.097 -30.780 4.007 1.00 0.00 H new ATOM 0 HB3 ASN A 37 40.136 -32.083 5.178 1.00 0.00 H new ATOM 0 HD21 ASN A 37 37.737 -28.979 5.849 1.00 0.00 H new ATOM 0 HD22 ASN A 37 38.394 -29.487 4.290 1.00 0.00 H new ATOM 547 N HIS A 38 43.151 -30.867 3.391 1.00 0.00 N ATOM 548 CA HIS A 38 44.045 -31.530 2.448 1.00 0.00 C ATOM 549 C HIS A 38 43.362 -32.735 1.808 1.00 0.00 C ATOM 550 O HIS A 38 44.011 -33.731 1.488 1.00 0.00 O ATOM 551 CB HIS A 38 45.328 -31.971 3.152 1.00 0.00 C ATOM 552 CG HIS A 38 45.962 -30.890 3.974 1.00 0.00 C ATOM 553 ND1 HIS A 38 46.490 -29.740 3.427 1.00 0.00 N ATOM 554 CD2 HIS A 38 46.148 -30.789 5.311 1.00 0.00 C ATOM 555 CE1 HIS A 38 46.976 -28.979 4.391 1.00 0.00 C ATOM 556 NE2 HIS A 38 46.781 -29.593 5.544 1.00 0.00 N ATOM 0 H HIS A 38 42.925 -29.902 3.151 1.00 0.00 H new ATOM 0 HA HIS A 38 44.297 -30.818 1.663 1.00 0.00 H new ATOM 0 HB2 HIS A 38 45.106 -32.822 3.795 1.00 0.00 H new ATOM 0 HB3 HIS A 38 46.043 -32.315 2.405 1.00 0.00 H new ATOM 0 HD2 HIS A 38 45.853 -31.514 6.055 1.00 0.00 H new ATOM 0 HE1 HIS A 38 47.452 -28.018 4.259 1.00 0.00 H new ATOM 0 HE2 HIS A 38 47.056 -29.236 6.459 1.00 0.00 H new ATOM 564 N ASP A 39 42.050 -32.637 1.625 1.00 0.00 N ATOM 565 CA ASP A 39 41.280 -33.719 1.023 1.00 0.00 C ATOM 566 C ASP A 39 40.909 -33.386 -0.419 1.00 0.00 C ATOM 567 O ASP A 39 40.735 -34.278 -1.249 1.00 0.00 O ATOM 568 CB ASP A 39 40.014 -33.988 1.839 1.00 0.00 C ATOM 569 CG ASP A 39 39.702 -35.467 1.952 1.00 0.00 C ATOM 570 OD1 ASP A 39 40.608 -36.237 2.333 1.00 0.00 O ATOM 571 OD2 ASP A 39 38.551 -35.855 1.659 1.00 0.00 O ATOM 0 H ASP A 39 41.498 -31.820 1.885 1.00 0.00 H new ATOM 0 HA ASP A 39 41.900 -34.616 1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.133 -33.567 2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.171 -33.476 1.375 1.00 0.00 H new ATOM 576 N LYS A 40 40.789 -32.095 -0.710 1.00 0.00 N ATOM 577 CA LYS A 40 40.439 -31.641 -2.051 1.00 0.00 C ATOM 578 C LYS A 40 41.510 -30.707 -2.606 1.00 0.00 C ATOM 579 O LYS A 40 42.472 -30.372 -1.915 1.00 0.00 O ATOM 580 CB LYS A 40 39.085 -30.929 -2.033 1.00 0.00 C ATOM 581 CG LYS A 40 38.074 -31.520 -3.001 1.00 0.00 C ATOM 582 CD LYS A 40 36.887 -30.594 -3.202 1.00 0.00 C ATOM 583 CE LYS A 40 35.620 -31.171 -2.589 1.00 0.00 C ATOM 584 NZ LYS A 40 34.744 -31.800 -3.616 1.00 0.00 N ATOM 0 H LYS A 40 40.929 -31.344 -0.034 1.00 0.00 H new ATOM 0 HA LYS A 40 40.374 -32.515 -2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 40 38.676 -30.970 -1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 40 39.234 -29.877 -2.274 1.00 0.00 H new ATOM 0 HG2 LYS A 40 38.555 -31.709 -3.960 1.00 0.00 H new ATOM 0 HG3 LYS A 40 37.727 -32.482 -2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 40 37.101 -29.624 -2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 40 36.733 -30.425 -4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 40 35.886 -31.912 -1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 40 35.071 -30.380 -2.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 33.891 -32.181 -3.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 34.469 -31.087 -4.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 35.259 -32.572 -4.086 1.00 0.00 H new ATOM 598 N GLU A 41 41.334 -30.290 -3.856 1.00 0.00 N ATOM 599 CA GLU A 41 42.286 -29.394 -4.502 1.00 0.00 C ATOM 600 C GLU A 41 41.562 -28.276 -5.247 1.00 0.00 C ATOM 601 O GLU A 41 40.360 -28.363 -5.501 1.00 0.00 O ATOM 602 CB GLU A 41 43.177 -30.173 -5.471 1.00 0.00 C ATOM 603 CG GLU A 41 43.713 -31.473 -4.894 1.00 0.00 C ATOM 604 CD GLU A 41 44.628 -32.205 -5.856 1.00 0.00 C ATOM 605 OE1 GLU A 41 44.112 -32.825 -6.810 1.00 0.00 O ATOM 606 OE2 GLU A 41 45.859 -32.158 -5.655 1.00 0.00 O ATOM 0 H GLU A 41 40.542 -30.558 -4.441 1.00 0.00 H new ATOM 0 HA GLU A 41 42.908 -28.947 -3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 41 42.610 -30.393 -6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 41 44.016 -29.543 -5.766 1.00 0.00 H new ATOM 0 HG2 GLU A 41 44.256 -31.261 -3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 41 42.877 -32.121 -4.630 1.00 0.00 H new ATOM 613 N ILE A 42 42.301 -27.227 -5.592 1.00 0.00 N ATOM 614 CA ILE A 42 41.730 -26.093 -6.308 1.00 0.00 C ATOM 615 C ILE A 42 42.526 -25.783 -7.571 1.00 0.00 C ATOM 616 O ILE A 42 43.744 -25.957 -7.609 1.00 0.00 O ATOM 617 CB ILE A 42 41.684 -24.834 -5.422 1.00 0.00 C ATOM 618 CG1 ILE A 42 40.994 -25.145 -4.092 1.00 0.00 C ATOM 619 CG2 ILE A 42 40.967 -23.704 -6.145 1.00 0.00 C ATOM 620 CD1 ILE A 42 39.539 -25.533 -4.242 1.00 0.00 C ATOM 0 H ILE A 42 43.296 -27.139 -5.387 1.00 0.00 H new ATOM 0 HA ILE A 42 40.713 -26.372 -6.582 1.00 0.00 H new ATOM 0 HB ILE A 42 42.706 -24.516 -5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 42 41.528 -25.955 -3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 42 41.064 -24.272 -3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 42 40.942 -22.821 -5.506 1.00 0.00 H new ATOM 0 HG22 ILE A 42 41.496 -23.469 -7.068 1.00 0.00 H new ATOM 0 HG23 ILE A 42 39.948 -24.011 -6.379 1.00 0.00 H new ATOM 0 HD11 ILE A 42 39.114 -25.739 -3.260 1.00 0.00 H new ATOM 0 HD12 ILE A 42 38.991 -24.715 -4.710 1.00 0.00 H new ATOM 0 HD13 ILE A 42 39.462 -26.424 -4.865 1.00 0.00 H new ATOM 632 N PHE A 43 41.829 -25.322 -8.604 1.00 0.00 N ATOM 633 CA PHE A 43 42.470 -24.986 -9.870 1.00 0.00 C ATOM 634 C PHE A 43 42.172 -23.543 -10.265 1.00 0.00 C ATOM 635 O PHE A 43 41.019 -23.174 -10.490 1.00 0.00 O ATOM 636 CB PHE A 43 41.998 -25.936 -10.973 1.00 0.00 C ATOM 637 CG PHE A 43 42.538 -25.593 -12.332 1.00 0.00 C ATOM 638 CD1 PHE A 43 41.867 -24.701 -13.153 1.00 0.00 C ATOM 639 CD2 PHE A 43 43.716 -26.161 -12.788 1.00 0.00 C ATOM 640 CE1 PHE A 43 42.361 -24.384 -14.404 1.00 0.00 C ATOM 641 CE2 PHE A 43 44.215 -25.847 -14.038 1.00 0.00 C ATOM 642 CZ PHE A 43 43.537 -24.956 -14.847 1.00 0.00 C ATOM 0 H PHE A 43 40.820 -25.172 -8.589 1.00 0.00 H new ATOM 0 HA PHE A 43 43.547 -25.094 -9.743 1.00 0.00 H new ATOM 0 HB2 PHE A 43 42.297 -26.953 -10.718 1.00 0.00 H new ATOM 0 HB3 PHE A 43 40.909 -25.924 -11.010 1.00 0.00 H new ATOM 0 HD1 PHE A 43 40.948 -24.249 -12.811 1.00 0.00 H new ATOM 0 HD2 PHE A 43 44.251 -26.857 -12.159 1.00 0.00 H new ATOM 0 HE1 PHE A 43 41.827 -23.689 -15.035 1.00 0.00 H new ATOM 0 HE2 PHE A 43 45.134 -26.298 -14.382 1.00 0.00 H new ATOM 0 HZ PHE A 43 43.926 -24.707 -15.823 1.00 0.00 H new ATOM 652 N PHE A 44 43.220 -22.730 -10.347 1.00 0.00 N ATOM 653 CA PHE A 44 43.072 -21.326 -10.713 1.00 0.00 C ATOM 654 C PHE A 44 44.105 -20.925 -11.762 1.00 0.00 C ATOM 655 O PHE A 44 45.282 -21.268 -11.653 1.00 0.00 O ATOM 656 CB PHE A 44 43.214 -20.437 -9.476 1.00 0.00 C ATOM 657 CG PHE A 44 44.617 -20.368 -8.944 1.00 0.00 C ATOM 658 CD1 PHE A 44 45.068 -21.298 -8.021 1.00 0.00 C ATOM 659 CD2 PHE A 44 45.485 -19.376 -9.369 1.00 0.00 C ATOM 660 CE1 PHE A 44 46.358 -21.237 -7.530 1.00 0.00 C ATOM 661 CE2 PHE A 44 46.777 -19.310 -8.881 1.00 0.00 C ATOM 662 CZ PHE A 44 47.214 -20.242 -7.961 1.00 0.00 C ATOM 0 H PHE A 44 44.181 -23.019 -10.165 1.00 0.00 H new ATOM 0 HA PHE A 44 42.077 -21.190 -11.138 1.00 0.00 H new ATOM 0 HB2 PHE A 44 42.877 -19.430 -9.722 1.00 0.00 H new ATOM 0 HB3 PHE A 44 42.555 -20.811 -8.692 1.00 0.00 H new ATOM 0 HD1 PHE A 44 44.404 -22.079 -7.682 1.00 0.00 H new ATOM 0 HD2 PHE A 44 45.149 -18.646 -10.090 1.00 0.00 H new ATOM 0 HE1 PHE A 44 46.697 -21.967 -6.810 1.00 0.00 H new ATOM 0 HE2 PHE A 44 47.443 -18.530 -9.219 1.00 0.00 H new ATOM 0 HZ PHE A 44 48.223 -20.193 -7.579 1.00 0.00 H new ATOM 672 N HIS A 45 43.654 -20.198 -12.780 1.00 0.00 N ATOM 673 CA HIS A 45 44.539 -19.750 -13.850 1.00 0.00 C ATOM 674 C HIS A 45 45.257 -18.463 -13.457 1.00 0.00 C ATOM 675 O HIS A 45 44.758 -17.685 -12.644 1.00 0.00 O ATOM 676 CB HIS A 45 43.745 -19.533 -15.138 1.00 0.00 C ATOM 677 CG HIS A 45 44.137 -20.461 -16.247 1.00 0.00 C ATOM 678 ND1 HIS A 45 45.035 -20.115 -17.235 1.00 0.00 N ATOM 679 CD2 HIS A 45 43.750 -21.729 -16.519 1.00 0.00 C ATOM 680 CE1 HIS A 45 45.181 -21.130 -18.068 1.00 0.00 C ATOM 681 NE2 HIS A 45 44.413 -22.122 -17.656 1.00 0.00 N ATOM 0 H HIS A 45 42.682 -19.907 -12.886 1.00 0.00 H new ATOM 0 HA HIS A 45 45.287 -20.525 -14.019 1.00 0.00 H new ATOM 0 HB2 HIS A 45 42.683 -19.661 -14.927 1.00 0.00 H new ATOM 0 HB3 HIS A 45 43.882 -18.504 -15.471 1.00 0.00 H new ATOM 0 HD2 HIS A 45 43.050 -22.322 -15.948 1.00 0.00 H new ATOM 0 HE1 HIS A 45 45.820 -21.146 -18.938 1.00 0.00 H new ATOM 0 HE2 HIS A 45 44.326 -23.032 -18.108 1.00 0.00 H new ATOM 689 N TYR A 46 46.431 -18.245 -14.040 1.00 0.00 N ATOM 690 CA TYR A 46 47.220 -17.054 -13.749 1.00 0.00 C ATOM 691 C TYR A 46 46.421 -15.787 -14.042 1.00 0.00 C ATOM 692 O TYR A 46 46.538 -14.788 -13.332 1.00 0.00 O ATOM 693 CB TYR A 46 48.510 -17.058 -14.569 1.00 0.00 C ATOM 694 CG TYR A 46 49.711 -17.571 -13.807 1.00 0.00 C ATOM 695 CD1 TYR A 46 49.625 -18.718 -13.027 1.00 0.00 C ATOM 696 CD2 TYR A 46 50.931 -16.908 -13.865 1.00 0.00 C ATOM 697 CE1 TYR A 46 50.719 -19.190 -12.328 1.00 0.00 C ATOM 698 CE2 TYR A 46 52.031 -17.374 -13.171 1.00 0.00 C ATOM 699 CZ TYR A 46 51.920 -18.514 -12.403 1.00 0.00 C ATOM 700 OH TYR A 46 53.012 -18.981 -11.709 1.00 0.00 O ATOM 0 H TYR A 46 46.857 -18.878 -14.717 1.00 0.00 H new ATOM 0 HA TYR A 46 47.472 -17.066 -12.689 1.00 0.00 H new ATOM 0 HB2 TYR A 46 48.364 -17.673 -15.457 1.00 0.00 H new ATOM 0 HB3 TYR A 46 48.715 -16.044 -14.913 1.00 0.00 H new ATOM 0 HD1 TYR A 46 48.687 -19.249 -12.966 1.00 0.00 H new ATOM 0 HD2 TYR A 46 51.021 -16.013 -14.463 1.00 0.00 H new ATOM 0 HE1 TYR A 46 50.635 -20.083 -11.726 1.00 0.00 H new ATOM 0 HE2 TYR A 46 52.973 -16.848 -13.230 1.00 0.00 H new ATOM 0 HH TYR A 46 53.225 -19.890 -12.007 1.00 0.00 H new ATOM 710 N SER A 47 45.610 -15.837 -15.093 1.00 0.00 N ATOM 711 CA SER A 47 44.794 -14.693 -15.484 1.00 0.00 C ATOM 712 C SER A 47 43.737 -14.393 -14.425 1.00 0.00 C ATOM 713 O SER A 47 43.302 -13.252 -14.274 1.00 0.00 O ATOM 714 CB SER A 47 44.120 -14.957 -16.832 1.00 0.00 C ATOM 715 OG SER A 47 43.330 -16.132 -16.787 1.00 0.00 O ATOM 0 H SER A 47 45.500 -16.657 -15.689 1.00 0.00 H new ATOM 0 HA SER A 47 45.448 -13.826 -15.576 1.00 0.00 H new ATOM 0 HB2 SER A 47 43.495 -14.106 -17.102 1.00 0.00 H new ATOM 0 HB3 SER A 47 44.879 -15.055 -17.608 1.00 0.00 H new ATOM 0 HG SER A 47 42.909 -16.277 -17.660 1.00 0.00 H new ATOM 721 N GLU A 48 43.329 -15.427 -13.696 1.00 0.00 N ATOM 722 CA GLU A 48 42.322 -15.274 -12.652 1.00 0.00 C ATOM 723 C GLU A 48 42.921 -14.617 -11.411 1.00 0.00 C ATOM 724 O GLU A 48 42.216 -13.968 -10.638 1.00 0.00 O ATOM 725 CB GLU A 48 41.726 -16.635 -12.285 1.00 0.00 C ATOM 726 CG GLU A 48 40.990 -17.306 -13.432 1.00 0.00 C ATOM 727 CD GLU A 48 39.982 -18.334 -12.956 1.00 0.00 C ATOM 728 OE1 GLU A 48 39.070 -17.959 -12.189 1.00 0.00 O ATOM 729 OE2 GLU A 48 40.104 -19.513 -13.349 1.00 0.00 O ATOM 0 H GLU A 48 43.680 -16.378 -13.809 1.00 0.00 H new ATOM 0 HA GLU A 48 41.531 -14.631 -13.037 1.00 0.00 H new ATOM 0 HB2 GLU A 48 42.526 -17.292 -11.944 1.00 0.00 H new ATOM 0 HB3 GLU A 48 41.039 -16.508 -11.448 1.00 0.00 H new ATOM 0 HG2 GLU A 48 40.478 -16.547 -14.024 1.00 0.00 H new ATOM 0 HG3 GLU A 48 41.713 -17.789 -14.090 1.00 0.00 H new ATOM 736 N PHE A 49 44.225 -14.792 -11.227 1.00 0.00 N ATOM 737 CA PHE A 49 44.919 -14.219 -10.080 1.00 0.00 C ATOM 738 C PHE A 49 45.228 -12.743 -10.314 1.00 0.00 C ATOM 739 O PHE A 49 45.772 -12.369 -11.353 1.00 0.00 O ATOM 740 CB PHE A 49 46.214 -14.986 -9.805 1.00 0.00 C ATOM 741 CG PHE A 49 46.779 -14.735 -8.436 1.00 0.00 C ATOM 742 CD1 PHE A 49 47.473 -13.568 -8.161 1.00 0.00 C ATOM 743 CD2 PHE A 49 46.616 -15.667 -7.423 1.00 0.00 C ATOM 744 CE1 PHE A 49 47.995 -13.336 -6.902 1.00 0.00 C ATOM 745 CE2 PHE A 49 47.135 -15.441 -6.163 1.00 0.00 C ATOM 746 CZ PHE A 49 47.825 -14.273 -5.902 1.00 0.00 C ATOM 0 H PHE A 49 44.823 -15.326 -11.858 1.00 0.00 H new ATOM 0 HA PHE A 49 44.265 -14.302 -9.212 1.00 0.00 H new ATOM 0 HB2 PHE A 49 46.027 -16.053 -9.922 1.00 0.00 H new ATOM 0 HB3 PHE A 49 46.957 -14.709 -10.553 1.00 0.00 H new ATOM 0 HD1 PHE A 49 47.608 -12.831 -8.939 1.00 0.00 H new ATOM 0 HD2 PHE A 49 46.076 -16.581 -7.621 1.00 0.00 H new ATOM 0 HE1 PHE A 49 48.535 -12.423 -6.701 1.00 0.00 H new ATOM 0 HE2 PHE A 49 47.002 -16.176 -5.383 1.00 0.00 H new ATOM 0 HZ PHE A 49 48.231 -14.093 -4.917 1.00 0.00 H new ATOM 756 N SER A 50 44.877 -11.909 -9.340 1.00 0.00 N ATOM 757 CA SER A 50 45.113 -10.474 -9.441 1.00 0.00 C ATOM 758 C SER A 50 46.196 -10.031 -8.463 1.00 0.00 C ATOM 759 O SER A 50 45.963 -9.943 -7.258 1.00 0.00 O ATOM 760 CB SER A 50 43.819 -9.703 -9.170 1.00 0.00 C ATOM 761 OG SER A 50 42.688 -10.549 -9.281 1.00 0.00 O ATOM 0 H SER A 50 44.428 -12.203 -8.472 1.00 0.00 H new ATOM 0 HA SER A 50 45.452 -10.257 -10.454 1.00 0.00 H new ATOM 0 HB2 SER A 50 43.854 -9.267 -8.172 1.00 0.00 H new ATOM 0 HB3 SER A 50 43.730 -8.877 -9.876 1.00 0.00 H new ATOM 0 HG SER A 50 41.875 -10.033 -9.102 1.00 0.00 H new ATOM 767 N GLY A 51 47.384 -9.753 -8.991 1.00 0.00 N ATOM 768 CA GLY A 51 48.487 -9.323 -8.152 1.00 0.00 C ATOM 769 C GLY A 51 49.822 -9.864 -8.626 1.00 0.00 C ATOM 770 O GLY A 51 50.042 -10.026 -9.826 1.00 0.00 O ATOM 0 H GLY A 51 47.602 -9.818 -9.985 1.00 0.00 H new ATOM 0 HA2 GLY A 51 48.525 -8.234 -8.137 1.00 0.00 H new ATOM 0 HA3 GLY A 51 48.309 -9.650 -7.128 1.00 0.00 H new ATOM 774 N ASP A 52 50.715 -10.141 -7.683 1.00 0.00 N ATOM 775 CA ASP A 52 52.035 -10.666 -8.010 1.00 0.00 C ATOM 776 C ASP A 52 52.064 -12.186 -7.877 1.00 0.00 C ATOM 777 O ASP A 52 52.553 -12.723 -6.883 1.00 0.00 O ATOM 778 CB ASP A 52 53.096 -10.042 -7.102 1.00 0.00 C ATOM 779 CG ASP A 52 52.981 -8.532 -7.031 1.00 0.00 C ATOM 780 OD1 ASP A 52 52.787 -7.902 -8.092 1.00 0.00 O ATOM 781 OD2 ASP A 52 53.086 -7.980 -5.916 1.00 0.00 O ATOM 0 H ASP A 52 50.549 -10.011 -6.685 1.00 0.00 H new ATOM 0 HA ASP A 52 52.256 -10.405 -9.045 1.00 0.00 H new ATOM 0 HB2 ASP A 52 53.002 -10.458 -6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 52 54.087 -10.311 -7.467 1.00 0.00 H new ATOM 786 N VAL A 53 51.537 -12.873 -8.885 1.00 0.00 N ATOM 787 CA VAL A 53 51.502 -14.331 -8.881 1.00 0.00 C ATOM 788 C VAL A 53 52.907 -14.914 -8.985 1.00 0.00 C ATOM 789 O VAL A 53 53.159 -16.037 -8.546 1.00 0.00 O ATOM 790 CB VAL A 53 50.645 -14.875 -10.039 1.00 0.00 C ATOM 791 CG1 VAL A 53 51.164 -14.364 -11.374 1.00 0.00 C ATOM 792 CG2 VAL A 53 50.621 -16.396 -10.014 1.00 0.00 C ATOM 0 H VAL A 53 51.128 -12.444 -9.715 1.00 0.00 H new ATOM 0 HA VAL A 53 51.055 -14.635 -7.935 1.00 0.00 H new ATOM 0 HB VAL A 53 49.624 -14.516 -9.912 1.00 0.00 H new ATOM 0 HG11 VAL A 53 50.546 -14.759 -12.180 1.00 0.00 H new ATOM 0 HG12 VAL A 53 51.125 -13.275 -11.387 1.00 0.00 H new ATOM 0 HG13 VAL A 53 52.194 -14.691 -11.513 1.00 0.00 H new ATOM 0 HG21 VAL A 53 50.011 -16.764 -10.839 1.00 0.00 H new ATOM 0 HG22 VAL A 53 51.637 -16.778 -10.116 1.00 0.00 H new ATOM 0 HG23 VAL A 53 50.198 -16.738 -9.069 1.00 0.00 H new ATOM 802 N ASP A 54 53.819 -14.145 -9.569 1.00 0.00 N ATOM 803 CA ASP A 54 55.200 -14.584 -9.730 1.00 0.00 C ATOM 804 C ASP A 54 55.925 -14.602 -8.388 1.00 0.00 C ATOM 805 O ASP A 54 56.770 -15.462 -8.139 1.00 0.00 O ATOM 806 CB ASP A 54 55.938 -13.670 -10.710 1.00 0.00 C ATOM 807 CG ASP A 54 55.875 -12.212 -10.300 1.00 0.00 C ATOM 808 OD1 ASP A 54 56.766 -11.769 -9.545 1.00 0.00 O ATOM 809 OD2 ASP A 54 54.936 -11.513 -10.736 1.00 0.00 O ATOM 0 H ASP A 54 53.627 -13.214 -9.939 1.00 0.00 H new ATOM 0 HA ASP A 54 55.188 -15.598 -10.130 1.00 0.00 H new ATOM 0 HB2 ASP A 54 56.981 -13.981 -10.778 1.00 0.00 H new ATOM 0 HB3 ASP A 54 55.506 -13.784 -11.704 1.00 0.00 H new ATOM 814 N SER A 55 55.590 -13.646 -7.528 1.00 0.00 N ATOM 815 CA SER A 55 56.213 -13.548 -6.213 1.00 0.00 C ATOM 816 C SER A 55 55.709 -14.654 -5.290 1.00 0.00 C ATOM 817 O SER A 55 56.417 -15.092 -4.383 1.00 0.00 O ATOM 818 CB SER A 55 55.927 -12.180 -5.590 1.00 0.00 C ATOM 819 OG SER A 55 57.084 -11.361 -5.608 1.00 0.00 O ATOM 0 H SER A 55 54.891 -12.928 -7.718 1.00 0.00 H new ATOM 0 HA SER A 55 57.289 -13.664 -6.339 1.00 0.00 H new ATOM 0 HB2 SER A 55 55.121 -11.689 -6.136 1.00 0.00 H new ATOM 0 HB3 SER A 55 55.584 -12.309 -4.563 1.00 0.00 H new ATOM 0 HG SER A 55 56.876 -10.492 -5.206 1.00 0.00 H new ATOM 825 N LEU A 56 54.481 -15.101 -5.528 1.00 0.00 N ATOM 826 CA LEU A 56 53.880 -16.156 -4.720 1.00 0.00 C ATOM 827 C LEU A 56 54.801 -17.369 -4.637 1.00 0.00 C ATOM 828 O LEU A 56 55.596 -17.620 -5.542 1.00 0.00 O ATOM 829 CB LEU A 56 52.528 -16.567 -5.305 1.00 0.00 C ATOM 830 CG LEU A 56 51.294 -16.116 -4.524 1.00 0.00 C ATOM 831 CD1 LEU A 56 50.023 -16.592 -5.212 1.00 0.00 C ATOM 832 CD2 LEU A 56 51.351 -16.628 -3.092 1.00 0.00 C ATOM 0 H LEU A 56 53.882 -14.749 -6.275 1.00 0.00 H new ATOM 0 HA LEU A 56 53.729 -15.767 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 56 52.457 -16.170 -6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 56 52.505 -17.654 -5.386 1.00 0.00 H new ATOM 0 HG LEU A 56 51.283 -15.026 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 56 49.155 -16.262 -4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 56 49.976 -16.175 -6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 56 50.026 -17.680 -5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 56 50.464 -16.297 -2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 56 51.388 -17.717 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 56 52.242 -16.237 -2.601 1.00 0.00 H new ATOM 844 N GLU A 57 54.687 -18.119 -3.545 1.00 0.00 N ATOM 845 CA GLU A 57 55.509 -19.307 -3.345 1.00 0.00 C ATOM 846 C GLU A 57 54.687 -20.442 -2.739 1.00 0.00 C ATOM 847 O GLU A 57 53.469 -20.331 -2.592 1.00 0.00 O ATOM 848 CB GLU A 57 56.699 -18.985 -2.439 1.00 0.00 C ATOM 849 CG GLU A 57 57.406 -17.690 -2.802 1.00 0.00 C ATOM 850 CD GLU A 57 58.868 -17.691 -2.400 1.00 0.00 C ATOM 851 OE1 GLU A 57 59.149 -17.614 -1.185 1.00 0.00 O ATOM 852 OE2 GLU A 57 59.731 -17.769 -3.299 1.00 0.00 O ATOM 0 H GLU A 57 54.034 -17.925 -2.786 1.00 0.00 H new ATOM 0 HA GLU A 57 55.879 -19.629 -4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 57 56.353 -18.924 -1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 57 57.414 -19.806 -2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 57 57.329 -17.527 -3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 57 56.900 -16.856 -2.316 1.00 0.00 H new ATOM 859 N LEU A 58 55.362 -21.532 -2.391 1.00 0.00 N ATOM 860 CA LEU A 58 54.696 -22.688 -1.802 1.00 0.00 C ATOM 861 C LEU A 58 54.505 -22.500 -0.300 1.00 0.00 C ATOM 862 O LEU A 58 55.469 -22.295 0.437 1.00 0.00 O ATOM 863 CB LEU A 58 55.504 -23.959 -2.070 1.00 0.00 C ATOM 864 CG LEU A 58 55.806 -24.266 -3.537 1.00 0.00 C ATOM 865 CD1 LEU A 58 56.548 -25.587 -3.664 1.00 0.00 C ATOM 866 CD2 LEU A 58 54.520 -24.294 -4.351 1.00 0.00 C ATOM 0 H LEU A 58 56.370 -21.639 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 58 53.714 -22.785 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 58 56.450 -23.884 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 58 54.963 -24.805 -1.646 1.00 0.00 H new ATOM 0 HG LEU A 58 56.445 -23.475 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 58 56.754 -25.789 -4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 58 57.487 -25.531 -3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 58 55.935 -26.390 -3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 58 54.754 -24.514 -5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 58 53.857 -25.064 -3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 58 54.027 -23.324 -4.287 1.00 0.00 H new ATOM 878 N GLY A 59 53.255 -22.573 0.147 1.00 0.00 N ATOM 879 CA GLY A 59 52.961 -22.411 1.558 1.00 0.00 C ATOM 880 C GLY A 59 52.277 -21.092 1.860 1.00 0.00 C ATOM 881 O GLY A 59 51.459 -21.005 2.776 1.00 0.00 O ATOM 0 H GLY A 59 52.441 -22.742 -0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 59 52.324 -23.231 1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 59 53.887 -22.475 2.129 1.00 0.00 H new ATOM 885 N ASP A 60 52.614 -20.063 1.091 1.00 0.00 N ATOM 886 CA ASP A 60 52.027 -18.742 1.281 1.00 0.00 C ATOM 887 C ASP A 60 50.504 -18.814 1.251 1.00 0.00 C ATOM 888 O ASP A 60 49.926 -19.651 0.558 1.00 0.00 O ATOM 889 CB ASP A 60 52.526 -17.779 0.202 1.00 0.00 C ATOM 890 CG ASP A 60 53.470 -16.730 0.754 1.00 0.00 C ATOM 891 OD1 ASP A 60 53.017 -15.885 1.555 1.00 0.00 O ATOM 892 OD2 ASP A 60 54.663 -16.753 0.386 1.00 0.00 O ATOM 0 H ASP A 60 53.291 -20.118 0.330 1.00 0.00 H new ATOM 0 HA ASP A 60 52.336 -18.372 2.259 1.00 0.00 H new ATOM 0 HB2 ASP A 60 53.033 -18.345 -0.579 1.00 0.00 H new ATOM 0 HB3 ASP A 60 51.673 -17.286 -0.264 1.00 0.00 H new ATOM 897 N MET A 61 49.859 -17.933 2.008 1.00 0.00 N ATOM 898 CA MET A 61 48.403 -17.897 2.068 1.00 0.00 C ATOM 899 C MET A 61 47.831 -17.080 0.913 1.00 0.00 C ATOM 900 O MET A 61 48.488 -16.178 0.393 1.00 0.00 O ATOM 901 CB MET A 61 47.940 -17.310 3.402 1.00 0.00 C ATOM 902 CG MET A 61 47.639 -18.362 4.458 1.00 0.00 C ATOM 903 SD MET A 61 48.476 -18.036 6.021 1.00 0.00 S ATOM 904 CE MET A 61 50.187 -18.266 5.544 1.00 0.00 C ATOM 0 H MET A 61 50.322 -17.234 2.589 1.00 0.00 H new ATOM 0 HA MET A 61 48.036 -18.920 1.983 1.00 0.00 H new ATOM 0 HB2 MET A 61 48.710 -16.637 3.780 1.00 0.00 H new ATOM 0 HB3 MET A 61 47.046 -16.709 3.234 1.00 0.00 H new ATOM 0 HG2 MET A 61 46.563 -18.403 4.628 1.00 0.00 H new ATOM 0 HG3 MET A 61 47.941 -19.341 4.086 1.00 0.00 H new ATOM 0 HE1 MET A 61 50.796 -18.416 6.435 1.00 0.00 H new ATOM 0 HE2 MET A 61 50.270 -19.139 4.896 1.00 0.00 H new ATOM 0 HE3 MET A 61 50.538 -17.383 5.010 1.00 0.00 H new ATOM 914 N VAL A 62 46.604 -17.402 0.517 1.00 0.00 N ATOM 915 CA VAL A 62 45.943 -16.697 -0.575 1.00 0.00 C ATOM 916 C VAL A 62 44.438 -16.619 -0.348 1.00 0.00 C ATOM 917 O VAL A 62 43.854 -17.480 0.309 1.00 0.00 O ATOM 918 CB VAL A 62 46.213 -17.381 -1.929 1.00 0.00 C ATOM 919 CG1 VAL A 62 47.690 -17.299 -2.283 1.00 0.00 C ATOM 920 CG2 VAL A 62 45.742 -18.827 -1.897 1.00 0.00 C ATOM 0 H VAL A 62 46.047 -18.147 0.936 1.00 0.00 H new ATOM 0 HA VAL A 62 46.356 -15.689 -0.597 1.00 0.00 H new ATOM 0 HB VAL A 62 45.650 -16.857 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 62 47.862 -17.787 -3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 62 47.991 -16.253 -2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 62 48.277 -17.798 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 62 45.940 -19.296 -2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 62 46.276 -19.366 -1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 62 44.672 -18.857 -1.692 1.00 0.00 H new ATOM 930 N GLU A 63 43.815 -15.580 -0.897 1.00 0.00 N ATOM 931 CA GLU A 63 42.376 -15.390 -0.754 1.00 0.00 C ATOM 932 C GLU A 63 41.641 -15.833 -2.016 1.00 0.00 C ATOM 933 O GLU A 63 41.988 -15.426 -3.125 1.00 0.00 O ATOM 934 CB GLU A 63 42.061 -13.923 -0.455 1.00 0.00 C ATOM 935 CG GLU A 63 40.623 -13.686 -0.025 1.00 0.00 C ATOM 936 CD GLU A 63 40.103 -12.327 -0.452 1.00 0.00 C ATOM 937 OE1 GLU A 63 40.747 -11.312 -0.111 1.00 0.00 O ATOM 938 OE2 GLU A 63 39.054 -12.278 -1.127 1.00 0.00 O ATOM 0 H GLU A 63 44.284 -14.858 -1.444 1.00 0.00 H new ATOM 0 HA GLU A 63 42.034 -16.005 0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 63 42.729 -13.569 0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 63 42.269 -13.327 -1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 63 39.988 -14.464 -0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 63 40.553 -13.774 1.059 1.00 0.00 H new ATOM 945 N TYR A 64 40.624 -16.669 -1.838 1.00 0.00 N ATOM 946 CA TYR A 64 39.841 -17.170 -2.961 1.00 0.00 C ATOM 947 C TYR A 64 38.427 -17.535 -2.520 1.00 0.00 C ATOM 948 O TYR A 64 38.079 -17.407 -1.346 1.00 0.00 O ATOM 949 CB TYR A 64 40.524 -18.390 -3.583 1.00 0.00 C ATOM 950 CG TYR A 64 40.523 -19.607 -2.686 1.00 0.00 C ATOM 951 CD1 TYR A 64 41.543 -19.818 -1.767 1.00 0.00 C ATOM 952 CD2 TYR A 64 39.500 -20.545 -2.757 1.00 0.00 C ATOM 953 CE1 TYR A 64 41.546 -20.929 -0.946 1.00 0.00 C ATOM 954 CE2 TYR A 64 39.495 -21.658 -1.939 1.00 0.00 C ATOM 955 CZ TYR A 64 40.520 -21.846 -1.035 1.00 0.00 C ATOM 956 OH TYR A 64 40.519 -22.954 -0.218 1.00 0.00 O ATOM 0 H TYR A 64 40.323 -17.014 -0.927 1.00 0.00 H new ATOM 0 HA TYR A 64 39.776 -16.378 -3.707 1.00 0.00 H new ATOM 0 HB2 TYR A 64 40.023 -18.638 -4.519 1.00 0.00 H new ATOM 0 HB3 TYR A 64 41.554 -18.132 -3.831 1.00 0.00 H new ATOM 0 HD1 TYR A 64 42.347 -19.101 -1.693 1.00 0.00 H new ATOM 0 HD2 TYR A 64 38.696 -20.401 -3.463 1.00 0.00 H new ATOM 0 HE1 TYR A 64 42.348 -21.079 -0.238 1.00 0.00 H new ATOM 0 HE2 TYR A 64 38.693 -22.378 -2.007 1.00 0.00 H new ATOM 0 HH TYR A 64 39.726 -23.499 -0.406 1.00 0.00 H new ATOM 966 N SER A 65 37.617 -17.990 -3.470 1.00 0.00 N ATOM 967 CA SER A 65 36.239 -18.371 -3.182 1.00 0.00 C ATOM 968 C SER A 65 35.759 -19.449 -4.149 1.00 0.00 C ATOM 969 O SER A 65 36.425 -19.750 -5.141 1.00 0.00 O ATOM 970 CB SER A 65 35.321 -17.150 -3.266 1.00 0.00 C ATOM 971 OG SER A 65 35.756 -16.124 -2.389 1.00 0.00 O ATOM 0 H SER A 65 37.891 -18.104 -4.446 1.00 0.00 H new ATOM 0 HA SER A 65 36.205 -18.774 -2.170 1.00 0.00 H new ATOM 0 HB2 SER A 65 35.302 -16.775 -4.289 1.00 0.00 H new ATOM 0 HB3 SER A 65 34.301 -17.440 -3.014 1.00 0.00 H new ATOM 0 HG SER A 65 35.154 -15.354 -2.462 1.00 0.00 H new ATOM 977 N LEU A 66 34.600 -20.027 -3.854 1.00 0.00 N ATOM 978 CA LEU A 66 34.030 -21.072 -4.697 1.00 0.00 C ATOM 979 C LEU A 66 32.600 -20.726 -5.099 1.00 0.00 C ATOM 980 O LEU A 66 31.848 -20.143 -4.318 1.00 0.00 O ATOM 981 CB LEU A 66 34.055 -22.415 -3.965 1.00 0.00 C ATOM 982 CG LEU A 66 35.390 -22.809 -3.332 1.00 0.00 C ATOM 983 CD1 LEU A 66 35.268 -24.145 -2.617 1.00 0.00 C ATOM 984 CD2 LEU A 66 36.486 -22.864 -4.387 1.00 0.00 C ATOM 0 H LEU A 66 34.037 -19.790 -3.038 1.00 0.00 H new ATOM 0 HA LEU A 66 34.635 -21.147 -5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 66 33.297 -22.394 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 66 33.765 -23.195 -4.669 1.00 0.00 H new ATOM 0 HG LEU A 66 35.659 -22.050 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 66 36.228 -24.409 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 66 34.514 -24.071 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 66 34.975 -24.914 -3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 66 37.429 -23.146 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 66 36.224 -23.601 -5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 66 36.592 -21.885 -4.853 1.00 0.00 H new ATOM 1117 N SER A 75 36.896 -25.017 -8.676 1.00 0.00 N ATOM 1118 CA SER A 75 37.988 -24.106 -9.001 1.00 0.00 C ATOM 1119 C SER A 75 37.781 -22.751 -8.331 1.00 0.00 C ATOM 1120 O SER A 75 36.665 -22.397 -7.951 1.00 0.00 O ATOM 1121 CB SER A 75 38.098 -23.927 -10.516 1.00 0.00 C ATOM 1122 OG SER A 75 36.817 -23.801 -11.109 1.00 0.00 O ATOM 0 HA SER A 75 38.915 -24.540 -8.626 1.00 0.00 H new ATOM 0 HB2 SER A 75 38.694 -23.042 -10.738 1.00 0.00 H new ATOM 0 HB3 SER A 75 38.620 -24.780 -10.949 1.00 0.00 H new ATOM 0 HG SER A 75 36.161 -24.302 -10.581 1.00 0.00 H new ATOM 1128 N ALA A 76 38.866 -21.996 -8.189 1.00 0.00 N ATOM 1129 CA ALA A 76 38.805 -20.679 -7.568 1.00 0.00 C ATOM 1130 C ALA A 76 38.626 -19.586 -8.615 1.00 0.00 C ATOM 1131 O ALA A 76 38.899 -19.795 -9.796 1.00 0.00 O ATOM 1132 CB ALA A 76 40.060 -20.425 -6.746 1.00 0.00 C ATOM 0 H ALA A 76 39.798 -22.275 -8.496 1.00 0.00 H new ATOM 0 HA ALA A 76 37.939 -20.656 -6.906 1.00 0.00 H new ATOM 0 HB1 ALA A 76 40.001 -19.438 -6.288 1.00 0.00 H new ATOM 0 HB2 ALA A 76 40.144 -21.182 -5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 76 40.935 -20.473 -7.394 1.00 0.00 H new ATOM 1138 N GLU A 77 38.164 -18.420 -8.174 1.00 0.00 N ATOM 1139 CA GLU A 77 37.947 -17.294 -9.075 1.00 0.00 C ATOM 1140 C GLU A 77 38.404 -15.987 -8.433 1.00 0.00 C ATOM 1141 O GLU A 77 38.151 -15.739 -7.254 1.00 0.00 O ATOM 1142 CB GLU A 77 36.469 -17.197 -9.459 1.00 0.00 C ATOM 1143 CG GLU A 77 35.531 -17.159 -8.264 1.00 0.00 C ATOM 1144 CD GLU A 77 34.278 -16.349 -8.532 1.00 0.00 C ATOM 1145 OE1 GLU A 77 34.399 -15.127 -8.758 1.00 0.00 O ATOM 1146 OE2 GLU A 77 33.176 -16.937 -8.516 1.00 0.00 O ATOM 0 H GLU A 77 37.933 -18.231 -7.199 1.00 0.00 H new ATOM 0 HA GLU A 77 38.539 -17.463 -9.975 1.00 0.00 H new ATOM 0 HB2 GLU A 77 36.316 -16.300 -10.059 1.00 0.00 H new ATOM 0 HB3 GLU A 77 36.209 -18.049 -10.088 1.00 0.00 H new ATOM 0 HG2 GLU A 77 35.250 -18.177 -7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 77 36.056 -16.736 -7.408 1.00 0.00 H new ATOM 1153 N LYS A 78 39.079 -15.154 -9.217 1.00 0.00 N ATOM 1154 CA LYS A 78 39.572 -13.872 -8.728 1.00 0.00 C ATOM 1155 C LYS A 78 40.395 -14.054 -7.457 1.00 0.00 C ATOM 1156 O LYS A 78 40.038 -13.542 -6.396 1.00 0.00 O ATOM 1157 CB LYS A 78 38.403 -12.922 -8.459 1.00 0.00 C ATOM 1158 CG LYS A 78 37.643 -12.522 -9.713 1.00 0.00 C ATOM 1159 CD LYS A 78 37.116 -11.101 -9.616 1.00 0.00 C ATOM 1160 CE LYS A 78 36.759 -10.544 -10.986 1.00 0.00 C ATOM 1161 NZ LYS A 78 36.740 -9.055 -10.992 1.00 0.00 N ATOM 0 H LYS A 78 39.297 -15.344 -10.195 1.00 0.00 H new ATOM 0 HA LYS A 78 40.214 -13.441 -9.497 1.00 0.00 H new ATOM 0 HB2 LYS A 78 37.713 -13.397 -7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 78 38.781 -12.023 -7.971 1.00 0.00 H new ATOM 0 HG2 LYS A 78 38.298 -12.610 -10.580 1.00 0.00 H new ATOM 0 HG3 LYS A 78 36.812 -13.209 -9.871 1.00 0.00 H new ATOM 0 HD2 LYS A 78 36.236 -11.081 -8.973 1.00 0.00 H new ATOM 0 HD3 LYS A 78 37.867 -10.465 -9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 78 37.479 -10.901 -11.722 1.00 0.00 H new ATOM 0 HE3 LYS A 78 35.782 -10.921 -11.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 36.493 -8.715 -11.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 36.035 -8.714 -10.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 37.679 -8.695 -10.729 1.00 0.00 H new ATOM 1175 N VAL A 79 41.498 -14.786 -7.571 1.00 0.00 N ATOM 1176 CA VAL A 79 42.373 -15.034 -6.431 1.00 0.00 C ATOM 1177 C VAL A 79 43.318 -13.860 -6.199 1.00 0.00 C ATOM 1178 O VAL A 79 43.748 -13.200 -7.144 1.00 0.00 O ATOM 1179 CB VAL A 79 43.203 -16.316 -6.629 1.00 0.00 C ATOM 1180 CG1 VAL A 79 43.988 -16.644 -5.368 1.00 0.00 C ATOM 1181 CG2 VAL A 79 42.304 -17.477 -7.024 1.00 0.00 C ATOM 0 H VAL A 79 41.807 -15.218 -8.442 1.00 0.00 H new ATOM 0 HA VAL A 79 41.731 -15.158 -5.559 1.00 0.00 H new ATOM 0 HB VAL A 79 43.914 -16.146 -7.437 1.00 0.00 H new ATOM 0 HG11 VAL A 79 44.568 -17.553 -5.527 1.00 0.00 H new ATOM 0 HG12 VAL A 79 44.662 -15.820 -5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 79 43.297 -16.795 -4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 79 42.907 -18.375 -7.160 1.00 0.00 H new ATOM 0 HG22 VAL A 79 41.567 -17.650 -6.239 1.00 0.00 H new ATOM 0 HG23 VAL A 79 41.792 -17.240 -7.956 1.00 0.00 H new ATOM 1191 N ASN A 80 43.639 -13.607 -4.934 1.00 0.00 N ATOM 1192 CA ASN A 80 44.534 -12.513 -4.577 1.00 0.00 C ATOM 1193 C ASN A 80 45.297 -12.830 -3.294 1.00 0.00 C ATOM 1194 O ASN A 80 44.723 -13.324 -2.323 1.00 0.00 O ATOM 1195 CB ASN A 80 43.742 -11.215 -4.405 1.00 0.00 C ATOM 1196 CG ASN A 80 42.843 -11.244 -3.184 1.00 0.00 C ATOM 1197 OD1 ASN A 80 41.771 -11.848 -3.203 1.00 0.00 O ATOM 1198 ND2 ASN A 80 43.278 -10.588 -2.114 1.00 0.00 N ATOM 0 H ASN A 80 43.293 -14.145 -4.140 1.00 0.00 H new ATOM 0 HA ASN A 80 45.255 -12.388 -5.385 1.00 0.00 H new ATOM 0 HB2 ASN A 80 44.435 -10.378 -4.323 1.00 0.00 H new ATOM 0 HB3 ASN A 80 43.137 -11.041 -5.295 1.00 0.00 H new ATOM 0 HD21 ASN A 80 42.716 -10.571 -1.263 1.00 0.00 H new ATOM 0 HD22 ASN A 80 44.174 -10.101 -2.144 1.00 0.00 H new ATOM 1205 N LYS A 81 46.594 -12.544 -3.298 1.00 0.00 N ATOM 1206 CA LYS A 81 47.437 -12.796 -2.135 1.00 0.00 C ATOM 1207 C LYS A 81 46.900 -12.070 -0.906 1.00 0.00 C ATOM 1208 O LYS A 81 46.360 -10.968 -1.009 1.00 0.00 O ATOM 1209 CB LYS A 81 48.875 -12.352 -2.416 1.00 0.00 C ATOM 1210 CG LYS A 81 49.905 -13.442 -2.176 1.00 0.00 C ATOM 1211 CD LYS A 81 50.929 -13.021 -1.135 1.00 0.00 C ATOM 1212 CE LYS A 81 52.132 -12.346 -1.777 1.00 0.00 C ATOM 1213 NZ LYS A 81 52.831 -11.439 -0.826 1.00 0.00 N ATOM 0 H LYS A 81 47.085 -12.137 -4.094 1.00 0.00 H new ATOM 0 HA LYS A 81 47.427 -13.867 -1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 81 48.947 -12.017 -3.451 1.00 0.00 H new ATOM 0 HB3 LYS A 81 49.112 -11.495 -1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 81 49.403 -14.352 -1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 81 50.412 -13.678 -3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 81 50.465 -12.339 -0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 81 51.258 -13.895 -0.573 1.00 0.00 H new ATOM 0 HE2 LYS A 81 52.828 -13.106 -2.133 1.00 0.00 H new ATOM 0 HE3 LYS A 81 51.807 -11.778 -2.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 53.645 -10.998 -1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 52.174 -10.699 -0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 53.163 -11.985 -0.006 1.00 0.00 H new ATOM 1227 N THR A 82 47.054 -12.693 0.258 1.00 0.00 N ATOM 1228 CA THR A 82 46.585 -12.106 1.507 1.00 0.00 C ATOM 1229 C THR A 82 47.671 -12.148 2.576 1.00 0.00 C ATOM 1230 O THR A 82 48.625 -12.919 2.475 1.00 0.00 O ATOM 1231 CB THR A 82 45.334 -12.834 2.035 1.00 0.00 C ATOM 1232 OG1 THR A 82 44.968 -12.311 3.317 1.00 0.00 O ATOM 1233 CG2 THR A 82 45.584 -14.330 2.144 1.00 0.00 C ATOM 0 H THR A 82 47.500 -13.604 0.362 1.00 0.00 H new ATOM 0 HA THR A 82 46.330 -11.068 1.292 1.00 0.00 H new ATOM 0 HB THR A 82 44.519 -12.669 1.330 1.00 0.00 H new ATOM 0 HG1 THR A 82 44.171 -12.777 3.645 1.00 0.00 H new ATOM 0 HG21 THR A 82 44.687 -14.822 2.519 1.00 0.00 H new ATOM 0 HG22 THR A 82 45.834 -14.730 1.161 1.00 0.00 H new ATOM 0 HG23 THR A 82 46.411 -14.512 2.830 1.00 0.00 H new