USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 583 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 23 SER OG : rot -40:sc= -1.52 USER MOD Single : A 31 TYR OH : rot -32:sc= -0.925 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot -140:sc= -2.2 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0225 X(o=-0.022,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -4.29! K(o=-4.3!,f=-0.14) USER MOD Single : A 74 GLN : amide:sc= -0.0309 X(o=-0.031,f=0) USER MOD Single : A 78 SER OG : rot 88:sc= -1.88! USER MOD Single : A 79 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.149) USER MOD Single : A 82 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.0081) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -148:sc= 0 (180deg=-1.24) USER MOD Single : A 99 SER OG : rot -26:sc= 0.122 USER MOD Single : A 100 ASN : amide:sc= -0.0236 K(o=-0.024,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 246 N GLU A 20 20.111 32.974 -17.036 1.00 0.22 N ATOM 247 CA GLU A 20 19.308 32.794 -15.832 1.00 61.30 C ATOM 248 C GLU A 20 17.818 32.837 -16.160 1.00 44.31 C ATOM 249 O GLU A 20 17.084 33.717 -15.711 1.00 14.11 O ATOM 250 CB GLU A 20 19.646 33.872 -14.800 1.00 61.03 C ATOM 251 CG GLU A 20 20.133 35.173 -15.417 1.00 21.35 C ATOM 252 CD GLU A 20 19.139 35.761 -16.399 1.00 63.44 C ATOM 253 OE1 GLU A 20 18.047 36.177 -15.962 1.00 13.44 O ATOM 254 OE2 GLU A 20 19.455 35.804 -17.607 1.00 60.10 O ATOM 0 HA GLU A 20 19.542 31.815 -15.413 1.00 61.30 H new ATOM 0 HB2 GLU A 20 18.762 34.075 -14.196 1.00 61.03 H new ATOM 0 HB3 GLU A 20 20.412 33.490 -14.126 1.00 61.03 H new ATOM 0 HG2 GLU A 20 20.327 35.896 -14.625 1.00 21.35 H new ATOM 0 HG3 GLU A 20 21.080 34.997 -15.926 1.00 21.35 H new ATOM 261 N PRO A 21 17.361 31.865 -16.963 1.00 42.11 N ATOM 262 CA PRO A 21 15.956 31.770 -17.370 1.00 21.22 C ATOM 263 C PRO A 21 15.043 31.378 -16.213 1.00 50.30 C ATOM 264 O PRO A 21 14.012 32.009 -15.982 1.00 60.44 O ATOM 265 CB PRO A 21 15.969 30.672 -18.436 1.00 62.50 C ATOM 266 CG PRO A 21 17.160 29.839 -18.108 1.00 3.12 C ATOM 267 CD PRO A 21 18.181 30.784 -17.535 1.00 74.34 C ATOM 0 HA PRO A 21 15.569 32.725 -17.727 1.00 21.22 H new ATOM 0 HB2 PRO A 21 15.053 30.082 -18.407 1.00 62.50 H new ATOM 0 HB3 PRO A 21 16.045 31.094 -19.438 1.00 62.50 H new ATOM 0 HG2 PRO A 21 16.905 29.058 -17.391 1.00 3.12 H new ATOM 0 HG3 PRO A 21 17.545 29.341 -18.998 1.00 3.12 H new ATOM 0 HD2 PRO A 21 18.795 30.300 -16.775 1.00 74.34 H new ATOM 0 HD3 PRO A 21 18.859 31.157 -18.303 1.00 74.34 H new ATOM 275 N GLY A 22 15.429 30.333 -15.487 1.00 44.14 N ATOM 276 CA GLY A 22 14.634 29.876 -14.363 1.00 1.12 C ATOM 277 C GLY A 22 14.684 30.835 -13.190 1.00 32.01 C ATOM 278 O GLY A 22 13.888 30.727 -12.257 1.00 52.21 O ATOM 0 H GLY A 22 16.279 29.795 -15.658 1.00 44.14 H new ATOM 0 HA2 GLY A 22 13.599 29.750 -14.681 1.00 1.12 H new ATOM 0 HA3 GLY A 22 14.991 28.897 -14.043 1.00 1.12 H new ATOM 282 N SER A 23 15.623 31.775 -13.235 1.00 75.12 N ATOM 283 CA SER A 23 15.777 32.753 -12.165 1.00 53.52 C ATOM 284 C SER A 23 14.555 33.664 -12.082 1.00 5.04 C ATOM 285 O SER A 23 13.935 33.984 -13.095 1.00 31.43 O ATOM 286 CB SER A 23 17.037 33.591 -12.389 1.00 42.11 C ATOM 287 OG SER A 23 18.190 32.770 -12.455 1.00 62.15 O ATOM 0 H SER A 23 16.288 31.880 -14.001 1.00 75.12 H new ATOM 0 HA SER A 23 15.871 32.213 -11.223 1.00 53.52 H new ATOM 0 HB2 SER A 23 16.939 34.161 -13.313 1.00 42.11 H new ATOM 0 HB3 SER A 23 17.146 34.313 -11.579 1.00 42.11 H new ATOM 0 HG SER A 23 18.124 32.059 -11.783 1.00 62.15 H new ATOM 293 N GLY A 24 14.216 34.079 -10.865 1.00 22.34 N ATOM 294 CA GLY A 24 13.071 34.948 -10.670 1.00 12.23 C ATOM 295 C GLY A 24 12.042 34.350 -9.731 1.00 72.00 C ATOM 296 O GLY A 24 10.865 34.706 -9.780 1.00 55.50 O ATOM 0 H GLY A 24 14.714 33.829 -10.011 1.00 22.34 H new ATOM 0 HA2 GLY A 24 13.409 35.905 -10.272 1.00 12.23 H new ATOM 0 HA3 GLY A 24 12.604 35.151 -11.634 1.00 12.23 H new ATOM 300 N VAL A 25 12.486 33.436 -8.874 1.00 35.10 N ATOM 301 CA VAL A 25 11.595 32.786 -7.920 1.00 74.02 C ATOM 302 C VAL A 25 12.302 32.529 -6.594 1.00 40.14 C ATOM 303 O VAL A 25 13.531 32.484 -6.533 1.00 72.44 O ATOM 304 CB VAL A 25 11.060 31.451 -8.471 1.00 60.33 C ATOM 305 CG1 VAL A 25 9.886 30.961 -7.638 1.00 30.53 C ATOM 306 CG2 VAL A 25 10.662 31.599 -9.932 1.00 63.11 C ATOM 0 H VAL A 25 13.457 33.129 -8.821 1.00 35.10 H new ATOM 0 HA VAL A 25 10.758 33.465 -7.756 1.00 74.02 H new ATOM 0 HB VAL A 25 11.855 30.708 -8.408 1.00 60.33 H new ATOM 0 HG11 VAL A 25 9.522 30.017 -8.043 1.00 30.53 H new ATOM 0 HG12 VAL A 25 10.208 30.814 -6.607 1.00 30.53 H new ATOM 0 HG13 VAL A 25 9.086 31.701 -7.666 1.00 30.53 H new ATOM 0 HG21 VAL A 25 10.286 30.646 -10.305 1.00 63.11 H new ATOM 0 HG22 VAL A 25 9.883 32.356 -10.022 1.00 63.11 H new ATOM 0 HG23 VAL A 25 11.531 31.900 -10.517 1.00 63.11 H new ATOM 316 N ARG A 26 11.518 32.361 -5.534 1.00 40.44 N ATOM 317 CA ARG A 26 12.069 32.110 -4.209 1.00 24.45 C ATOM 318 C ARG A 26 11.510 30.816 -3.624 1.00 13.13 C ATOM 319 O ARG A 26 10.441 30.811 -3.013 1.00 15.21 O ATOM 320 CB ARG A 26 11.760 33.280 -3.274 1.00 2.35 C ATOM 321 CG ARG A 26 12.163 33.029 -1.830 1.00 12.24 C ATOM 322 CD ARG A 26 13.675 32.977 -1.674 1.00 34.21 C ATOM 323 NE ARG A 26 14.216 34.233 -1.161 1.00 71.51 N ATOM 324 CZ ARG A 26 14.056 34.644 0.092 1.00 45.44 C ATOM 325 NH1 ARG A 26 13.375 33.904 0.955 1.00 64.31 N ATOM 326 NH2 ARG A 26 14.579 35.799 0.483 1.00 3.42 N ATOM 0 H ARG A 26 10.499 32.394 -5.568 1.00 40.44 H new ATOM 0 HA ARG A 26 13.150 32.008 -4.306 1.00 24.45 H new ATOM 0 HB2 ARG A 26 12.275 34.170 -3.637 1.00 2.35 H new ATOM 0 HB3 ARG A 26 10.692 33.492 -3.312 1.00 2.35 H new ATOM 0 HG2 ARG A 26 11.758 33.817 -1.196 1.00 12.24 H new ATOM 0 HG3 ARG A 26 11.728 32.090 -1.488 1.00 12.24 H new ATOM 0 HD2 ARG A 26 13.942 32.165 -0.998 1.00 34.21 H new ATOM 0 HD3 ARG A 26 14.131 32.753 -2.638 1.00 34.21 H new ATOM 0 HE ARG A 26 14.745 34.827 -1.800 1.00 71.51 H new ATOM 0 HH11 ARG A 26 12.972 33.016 0.658 1.00 64.31 H new ATOM 0 HH12 ARG A 26 13.254 34.223 1.916 1.00 64.31 H new ATOM 0 HH21 ARG A 26 15.104 36.371 -0.179 1.00 3.42 H new ATOM 0 HH22 ARG A 26 14.456 36.115 1.445 1.00 3.42 H new ATOM 340 N ILE A 27 12.239 29.722 -3.815 1.00 50.15 N ATOM 341 CA ILE A 27 11.816 28.423 -3.307 1.00 15.43 C ATOM 342 C ILE A 27 12.094 28.301 -1.812 1.00 52.24 C ATOM 343 O ILE A 27 13.106 28.796 -1.316 1.00 32.03 O ATOM 344 CB ILE A 27 12.523 27.272 -4.045 1.00 73.41 C ATOM 345 CG1 ILE A 27 12.465 27.495 -5.558 1.00 31.14 C ATOM 346 CG2 ILE A 27 11.889 25.938 -3.676 1.00 45.34 C ATOM 347 CD1 ILE A 27 13.243 26.468 -6.350 1.00 41.01 C ATOM 0 H ILE A 27 13.126 29.709 -4.318 1.00 50.15 H new ATOM 0 HA ILE A 27 10.743 28.350 -3.482 1.00 15.43 H new ATOM 0 HB ILE A 27 13.569 27.252 -3.740 1.00 73.41 H new ATOM 0 HG12 ILE A 27 11.424 27.478 -5.880 1.00 31.14 H new ATOM 0 HG13 ILE A 27 12.853 28.488 -5.786 1.00 31.14 H new ATOM 0 HG21 ILE A 27 12.400 25.134 -4.206 1.00 45.34 H new ATOM 0 HG22 ILE A 27 11.977 25.778 -2.601 1.00 45.34 H new ATOM 0 HG23 ILE A 27 10.836 25.946 -3.956 1.00 45.34 H new ATOM 0 HD11 ILE A 27 13.157 26.688 -7.414 1.00 41.01 H new ATOM 0 HD12 ILE A 27 14.292 26.500 -6.056 1.00 41.01 H new ATOM 0 HD13 ILE A 27 12.841 25.475 -6.152 1.00 41.01 H new ATOM 359 N VAL A 28 11.189 27.637 -1.100 1.00 23.21 N ATOM 360 CA VAL A 28 11.338 27.446 0.338 1.00 43.21 C ATOM 361 C VAL A 28 10.666 26.156 0.794 1.00 62.02 C ATOM 362 O VAL A 28 9.467 26.133 1.073 1.00 63.35 O ATOM 363 CB VAL A 28 10.743 28.628 1.125 1.00 10.35 C ATOM 364 CG1 VAL A 28 10.856 28.384 2.623 1.00 73.35 C ATOM 365 CG2 VAL A 28 11.431 29.928 0.736 1.00 21.10 C ATOM 0 H VAL A 28 10.345 27.222 -1.495 1.00 23.21 H new ATOM 0 HA VAL A 28 12.407 27.386 0.540 1.00 43.21 H new ATOM 0 HB VAL A 28 9.686 28.713 0.873 1.00 10.35 H new ATOM 0 HG11 VAL A 28 10.430 29.230 3.163 1.00 73.35 H new ATOM 0 HG12 VAL A 28 10.313 27.476 2.886 1.00 73.35 H new ATOM 0 HG13 VAL A 28 11.905 28.271 2.895 1.00 73.35 H new ATOM 0 HG21 VAL A 28 10.998 30.753 1.302 1.00 21.10 H new ATOM 0 HG22 VAL A 28 12.496 29.856 0.957 1.00 21.10 H new ATOM 0 HG23 VAL A 28 11.293 30.108 -0.330 1.00 21.10 H new ATOM 375 N VAL A 29 11.447 25.083 0.868 1.00 32.41 N ATOM 376 CA VAL A 29 10.928 23.788 1.292 1.00 71.30 C ATOM 377 C VAL A 29 10.705 23.752 2.800 1.00 62.23 C ATOM 378 O VAL A 29 11.659 23.716 3.577 1.00 53.43 O ATOM 379 CB VAL A 29 11.882 22.644 0.898 1.00 54.45 C ATOM 380 CG1 VAL A 29 11.241 21.294 1.177 1.00 33.35 C ATOM 381 CG2 VAL A 29 12.278 22.763 -0.566 1.00 74.35 C ATOM 0 H VAL A 29 12.441 25.085 0.640 1.00 32.41 H new ATOM 0 HA VAL A 29 9.974 23.648 0.783 1.00 71.30 H new ATOM 0 HB VAL A 29 12.785 22.722 1.503 1.00 54.45 H new ATOM 0 HG11 VAL A 29 11.930 20.498 0.892 1.00 33.35 H new ATOM 0 HG12 VAL A 29 11.012 21.213 2.240 1.00 33.35 H new ATOM 0 HG13 VAL A 29 10.321 21.202 0.599 1.00 33.35 H new ATOM 0 HG21 VAL A 29 12.952 21.947 -0.828 1.00 74.35 H new ATOM 0 HG22 VAL A 29 11.386 22.711 -1.190 1.00 74.35 H new ATOM 0 HG23 VAL A 29 12.781 23.716 -0.731 1.00 74.35 H new ATOM 391 N GLU A 30 9.439 23.761 3.206 1.00 65.40 N ATOM 392 CA GLU A 30 9.092 23.729 4.622 1.00 41.32 C ATOM 393 C GLU A 30 8.925 22.293 5.109 1.00 22.14 C ATOM 394 O GLU A 30 7.955 21.617 4.764 1.00 4.43 O ATOM 395 CB GLU A 30 7.804 24.517 4.871 1.00 22.03 C ATOM 396 CG GLU A 30 7.676 25.039 6.292 1.00 13.05 C ATOM 397 CD GLU A 30 6.392 25.815 6.515 1.00 32.52 C ATOM 398 OE1 GLU A 30 5.320 25.178 6.587 1.00 73.15 O ATOM 399 OE2 GLU A 30 6.459 27.057 6.618 1.00 52.11 O ATOM 0 H GLU A 30 8.638 23.790 2.575 1.00 65.40 H new ATOM 0 HA GLU A 30 9.906 24.191 5.180 1.00 41.32 H new ATOM 0 HB2 GLU A 30 7.763 25.358 4.179 1.00 22.03 H new ATOM 0 HB3 GLU A 30 6.949 23.879 4.649 1.00 22.03 H new ATOM 0 HG2 GLU A 30 7.715 24.201 6.988 1.00 13.05 H new ATOM 0 HG3 GLU A 30 8.528 25.681 6.518 1.00 13.05 H new ATOM 406 N TYR A 31 9.878 21.833 5.913 1.00 53.00 N ATOM 407 CA TYR A 31 9.839 20.476 6.446 1.00 12.50 C ATOM 408 C TYR A 31 10.378 20.436 7.873 1.00 53.12 C ATOM 409 O TYR A 31 11.060 21.359 8.318 1.00 41.41 O ATOM 410 CB TYR A 31 10.649 19.533 5.556 1.00 65.10 C ATOM 411 CG TYR A 31 12.137 19.803 5.583 1.00 12.33 C ATOM 412 CD1 TYR A 31 12.707 20.746 4.738 1.00 43.44 C ATOM 413 CD2 TYR A 31 12.972 19.116 6.456 1.00 34.00 C ATOM 414 CE1 TYR A 31 14.066 20.996 4.759 1.00 72.12 C ATOM 415 CE2 TYR A 31 14.331 19.360 6.485 1.00 1.02 C ATOM 416 CZ TYR A 31 14.873 20.300 5.634 1.00 4.54 C ATOM 417 OH TYR A 31 16.227 20.547 5.660 1.00 50.24 O ATOM 0 H TYR A 31 10.686 22.380 6.210 1.00 53.00 H new ATOM 0 HA TYR A 31 8.800 20.148 6.460 1.00 12.50 H new ATOM 0 HB2 TYR A 31 10.469 18.505 5.871 1.00 65.10 H new ATOM 0 HB3 TYR A 31 10.291 19.619 4.530 1.00 65.10 H new ATOM 0 HD1 TYR A 31 12.077 21.294 4.052 1.00 43.44 H new ATOM 0 HD2 TYR A 31 12.551 18.379 7.123 1.00 34.00 H new ATOM 0 HE1 TYR A 31 14.493 21.732 4.094 1.00 72.12 H new ATOM 0 HE2 TYR A 31 14.966 18.818 7.170 1.00 1.02 H new ATOM 0 HH TYR A 31 16.532 20.795 4.762 1.00 50.24 H new ATOM 427 N CYS A 32 10.067 19.359 8.585 1.00 34.54 N ATOM 428 CA CYS A 32 10.518 19.195 9.962 1.00 63.22 C ATOM 429 C CYS A 32 12.011 18.880 10.011 1.00 74.22 C ATOM 430 O CYS A 32 12.422 17.742 9.787 1.00 60.10 O ATOM 431 CB CYS A 32 9.728 18.081 10.651 1.00 72.31 C ATOM 432 SG CYS A 32 10.358 17.633 12.301 1.00 54.24 S ATOM 0 H CYS A 32 9.504 18.586 8.231 1.00 34.54 H new ATOM 0 HA CYS A 32 10.344 20.133 10.489 1.00 63.22 H new ATOM 0 HB2 CYS A 32 8.687 18.392 10.743 1.00 72.31 H new ATOM 0 HB3 CYS A 32 9.741 17.195 10.016 1.00 72.31 H new ATOM 437 N GLU A 33 12.815 19.896 10.305 1.00 1.33 N ATOM 438 CA GLU A 33 14.261 19.727 10.383 1.00 43.40 C ATOM 439 C GLU A 33 14.626 18.586 11.329 1.00 52.54 C ATOM 440 O GLU A 33 15.218 17.583 10.932 1.00 63.23 O ATOM 441 CB GLU A 33 14.924 21.024 10.852 1.00 42.44 C ATOM 442 CG GLU A 33 15.734 21.719 9.770 1.00 2.31 C ATOM 443 CD GLU A 33 15.455 23.208 9.698 1.00 74.13 C ATOM 444 OE1 GLU A 33 16.090 23.968 10.459 1.00 73.23 O ATOM 445 OE2 GLU A 33 14.601 23.613 8.881 1.00 64.00 O ATOM 0 H GLU A 33 12.490 20.844 10.493 1.00 1.33 H new ATOM 0 HA GLU A 33 14.626 19.480 9.386 1.00 43.40 H new ATOM 0 HB2 GLU A 33 14.154 21.706 11.212 1.00 42.44 H new ATOM 0 HB3 GLU A 33 15.576 20.804 11.697 1.00 42.44 H new ATOM 0 HG2 GLU A 33 16.796 21.561 9.958 1.00 2.31 H new ATOM 0 HG3 GLU A 33 15.510 21.264 8.805 1.00 2.31 H new ATOM 452 N PRO A 34 14.264 18.743 12.611 1.00 63.13 N ATOM 453 CA PRO A 34 14.543 17.737 13.640 1.00 34.01 C ATOM 454 C PRO A 34 13.708 16.474 13.457 1.00 62.12 C ATOM 455 O PRO A 34 12.940 16.091 14.340 1.00 51.42 O ATOM 456 CB PRO A 34 14.160 18.446 14.942 1.00 44.14 C ATOM 457 CG PRO A 34 13.158 19.470 14.535 1.00 74.02 C ATOM 458 CD PRO A 34 13.555 19.914 13.154 1.00 25.42 C ATOM 0 HA PRO A 34 15.579 17.400 13.610 1.00 34.01 H new ATOM 0 HB2 PRO A 34 13.740 17.747 15.665 1.00 44.14 H new ATOM 0 HB3 PRO A 34 15.029 18.907 15.412 1.00 44.14 H new ATOM 0 HG2 PRO A 34 12.151 19.052 14.536 1.00 74.02 H new ATOM 0 HG3 PRO A 34 13.155 20.310 15.229 1.00 74.02 H new ATOM 0 HD2 PRO A 34 12.686 20.173 12.550 1.00 25.42 H new ATOM 0 HD3 PRO A 34 14.197 20.794 13.184 1.00 25.42 H new ATOM 466 N CYS A 35 13.864 15.829 12.305 1.00 2.24 N ATOM 467 CA CYS A 35 13.125 14.609 12.006 1.00 65.44 C ATOM 468 C CYS A 35 13.934 13.694 11.090 1.00 43.31 C ATOM 469 O CYS A 35 14.002 12.485 11.305 1.00 73.11 O ATOM 470 CB CYS A 35 11.784 14.947 11.351 1.00 24.15 C ATOM 471 SG CYS A 35 10.518 15.544 12.517 1.00 3.31 S ATOM 0 H CYS A 35 14.496 16.132 11.564 1.00 2.24 H new ATOM 0 HA CYS A 35 12.942 14.086 12.945 1.00 65.44 H new ATOM 0 HB2 CYS A 35 11.946 15.707 10.587 1.00 24.15 H new ATOM 0 HB3 CYS A 35 11.406 14.060 10.843 1.00 24.15 H new ATOM 476 N GLY A 36 14.547 14.282 10.067 1.00 43.31 N ATOM 477 CA GLY A 36 15.343 13.507 9.134 1.00 64.41 C ATOM 478 C GLY A 36 14.861 13.647 7.704 1.00 72.22 C ATOM 479 O GLY A 36 15.189 12.826 6.847 1.00 70.11 O ATOM 0 H GLY A 36 14.506 15.282 9.868 1.00 43.31 H new ATOM 0 HA2 GLY A 36 16.383 13.826 9.196 1.00 64.41 H new ATOM 0 HA3 GLY A 36 15.314 12.456 9.422 1.00 64.41 H new ATOM 483 N PHE A 37 14.078 14.689 7.445 1.00 73.33 N ATOM 484 CA PHE A 37 13.546 14.932 6.109 1.00 44.14 C ATOM 485 C PHE A 37 14.430 15.913 5.342 1.00 33.54 C ATOM 486 O PHE A 37 14.017 16.472 4.327 1.00 21.20 O ATOM 487 CB PHE A 37 12.119 15.475 6.196 1.00 54.33 C ATOM 488 CG PHE A 37 11.121 14.463 6.680 1.00 75.42 C ATOM 489 CD1 PHE A 37 11.018 13.224 6.067 1.00 30.13 C ATOM 490 CD2 PHE A 37 10.285 14.749 7.747 1.00 3.15 C ATOM 491 CE1 PHE A 37 10.100 12.291 6.510 1.00 32.34 C ATOM 492 CE2 PHE A 37 9.365 13.820 8.195 1.00 25.43 C ATOM 493 CZ PHE A 37 9.273 12.588 7.576 1.00 5.44 C ATOM 0 H PHE A 37 13.798 15.379 8.142 1.00 73.33 H new ATOM 0 HA PHE A 37 13.534 13.984 5.572 1.00 44.14 H new ATOM 0 HB2 PHE A 37 12.106 16.335 6.866 1.00 54.33 H new ATOM 0 HB3 PHE A 37 11.814 15.832 5.212 1.00 54.33 H new ATOM 0 HD1 PHE A 37 11.662 12.985 5.234 1.00 30.13 H new ATOM 0 HD2 PHE A 37 10.353 15.710 8.235 1.00 3.15 H new ATOM 0 HE1 PHE A 37 10.029 11.330 6.023 1.00 32.34 H new ATOM 0 HE2 PHE A 37 8.719 14.057 9.028 1.00 25.43 H new ATOM 0 HZ PHE A 37 8.556 11.859 7.925 1.00 5.44 H new ATOM 503 N GLU A 38 15.647 16.115 5.838 1.00 54.22 N ATOM 504 CA GLU A 38 16.587 17.029 5.201 1.00 65.04 C ATOM 505 C GLU A 38 17.449 16.296 4.176 1.00 31.02 C ATOM 506 O GLU A 38 18.169 16.918 3.396 1.00 53.30 O ATOM 507 CB GLU A 38 17.480 17.693 6.252 1.00 75.41 C ATOM 508 CG GLU A 38 18.453 18.706 5.673 1.00 74.34 C ATOM 509 CD GLU A 38 18.918 19.720 6.699 1.00 40.42 C ATOM 510 OE1 GLU A 38 18.553 19.577 7.884 1.00 35.11 O ATOM 511 OE2 GLU A 38 19.648 20.658 6.316 1.00 45.33 O ATOM 0 H GLU A 38 16.004 15.659 6.677 1.00 54.22 H new ATOM 0 HA GLU A 38 16.012 17.798 4.685 1.00 65.04 H new ATOM 0 HB2 GLU A 38 16.850 18.188 6.991 1.00 75.41 H new ATOM 0 HB3 GLU A 38 18.042 16.922 6.778 1.00 75.41 H new ATOM 0 HG2 GLU A 38 19.318 18.182 5.267 1.00 74.34 H new ATOM 0 HG3 GLU A 38 17.978 19.227 4.842 1.00 74.34 H new ATOM 518 N ALA A 39 17.369 14.969 4.186 1.00 4.40 N ATOM 519 CA ALA A 39 18.140 14.151 3.258 1.00 52.12 C ATOM 520 C ALA A 39 17.572 14.240 1.845 1.00 14.45 C ATOM 521 O ALA A 39 18.266 13.964 0.867 1.00 51.14 O ATOM 522 CB ALA A 39 18.167 12.704 3.727 1.00 0.13 C ATOM 0 H ALA A 39 16.778 14.438 4.826 1.00 4.40 H new ATOM 0 HA ALA A 39 19.160 14.534 3.236 1.00 52.12 H new ATOM 0 HB1 ALA A 39 18.746 12.105 3.025 1.00 0.13 H new ATOM 0 HB2 ALA A 39 18.626 12.650 4.714 1.00 0.13 H new ATOM 0 HB3 ALA A 39 17.148 12.319 3.779 1.00 0.13 H new ATOM 528 N THR A 40 16.304 14.628 1.746 1.00 73.41 N ATOM 529 CA THR A 40 15.642 14.751 0.453 1.00 14.45 C ATOM 530 C THR A 40 15.766 16.168 -0.094 1.00 51.55 C ATOM 531 O THR A 40 15.637 16.392 -1.298 1.00 51.53 O ATOM 532 CB THR A 40 14.150 14.379 0.548 1.00 20.14 C ATOM 533 OG1 THR A 40 14.011 13.025 0.994 1.00 55.12 O ATOM 534 CG2 THR A 40 13.463 14.548 -0.798 1.00 41.43 C ATOM 0 H THR A 40 15.715 14.862 2.545 1.00 73.41 H new ATOM 0 HA THR A 40 16.139 14.057 -0.225 1.00 14.45 H new ATOM 0 HB THR A 40 13.676 15.049 1.266 1.00 20.14 H new ATOM 0 HG1 THR A 40 13.060 12.796 1.054 1.00 55.12 H new ATOM 0 HG21 THR A 40 12.411 14.279 -0.706 1.00 41.43 H new ATOM 0 HG22 THR A 40 13.546 15.586 -1.121 1.00 41.43 H new ATOM 0 HG23 THR A 40 13.940 13.900 -1.534 1.00 41.43 H new ATOM 542 N TYR A 41 16.018 17.122 0.796 1.00 73.24 N ATOM 543 CA TYR A 41 16.158 18.518 0.401 1.00 52.43 C ATOM 544 C TYR A 41 17.619 18.865 0.134 1.00 44.02 C ATOM 545 O TYR A 41 17.932 19.627 -0.782 1.00 70.02 O ATOM 546 CB TYR A 41 15.595 19.436 1.487 1.00 55.31 C ATOM 547 CG TYR A 41 15.988 20.886 1.318 1.00 11.42 C ATOM 548 CD1 TYR A 41 15.401 21.676 0.337 1.00 2.44 C ATOM 549 CD2 TYR A 41 16.946 21.467 2.141 1.00 71.25 C ATOM 550 CE1 TYR A 41 15.758 23.001 0.179 1.00 3.53 C ATOM 551 CE2 TYR A 41 17.308 22.792 1.991 1.00 61.54 C ATOM 552 CZ TYR A 41 16.712 23.554 1.008 1.00 11.54 C ATOM 553 OH TYR A 41 17.069 24.874 0.855 1.00 3.50 O ATOM 0 H TYR A 41 16.129 16.953 1.796 1.00 73.24 H new ATOM 0 HA TYR A 41 15.594 18.667 -0.520 1.00 52.43 H new ATOM 0 HB2 TYR A 41 14.508 19.361 1.487 1.00 55.31 H new ATOM 0 HB3 TYR A 41 15.939 19.086 2.461 1.00 55.31 H new ATOM 0 HD1 TYR A 41 14.653 21.247 -0.313 1.00 2.44 H new ATOM 0 HD2 TYR A 41 17.415 20.872 2.911 1.00 71.25 H new ATOM 0 HE1 TYR A 41 15.293 23.601 -0.589 1.00 3.53 H new ATOM 0 HE2 TYR A 41 18.053 23.228 2.640 1.00 61.54 H new ATOM 0 HH TYR A 41 18.038 24.967 0.972 1.00 3.50 H new ATOM 563 N LEU A 42 18.511 18.300 0.940 1.00 61.31 N ATOM 564 CA LEU A 42 19.941 18.547 0.792 1.00 2.00 C ATOM 565 C LEU A 42 20.519 17.731 -0.360 1.00 54.54 C ATOM 566 O LEU A 42 21.675 17.910 -0.741 1.00 1.12 O ATOM 567 CB LEU A 42 20.675 18.207 2.091 1.00 74.55 C ATOM 568 CG LEU A 42 21.867 19.097 2.442 1.00 52.45 C ATOM 569 CD1 LEU A 42 21.410 20.525 2.696 1.00 55.31 C ATOM 570 CD2 LEU A 42 22.605 18.548 3.654 1.00 73.24 C ATOM 0 H LEU A 42 18.269 17.668 1.703 1.00 61.31 H new ATOM 0 HA LEU A 42 20.080 19.605 0.569 1.00 2.00 H new ATOM 0 HB2 LEU A 42 19.959 18.253 2.912 1.00 74.55 H new ATOM 0 HB3 LEU A 42 21.023 17.176 2.029 1.00 74.55 H new ATOM 0 HG LEU A 42 22.554 19.102 1.595 1.00 52.45 H new ATOM 0 HD11 LEU A 42 22.272 21.144 2.944 1.00 55.31 H new ATOM 0 HD12 LEU A 42 20.927 20.917 1.801 1.00 55.31 H new ATOM 0 HD13 LEU A 42 20.703 20.539 3.525 1.00 55.31 H new ATOM 0 HD21 LEU A 42 23.450 19.195 3.889 1.00 73.24 H new ATOM 0 HD22 LEU A 42 21.927 18.512 4.507 1.00 73.24 H new ATOM 0 HD23 LEU A 42 22.967 17.543 3.435 1.00 73.24 H new ATOM 582 N GLU A 43 19.704 16.838 -0.913 1.00 20.34 N ATOM 583 CA GLU A 43 20.135 15.996 -2.023 1.00 15.12 C ATOM 584 C GLU A 43 19.781 16.638 -3.361 1.00 51.23 C ATOM 585 O GLU A 43 20.372 16.316 -4.393 1.00 32.31 O ATOM 586 CB GLU A 43 19.490 14.612 -1.923 1.00 12.15 C ATOM 587 CG GLU A 43 20.325 13.606 -1.148 1.00 40.23 C ATOM 588 CD GLU A 43 21.627 13.267 -1.848 1.00 11.41 C ATOM 589 OE1 GLU A 43 21.843 13.767 -2.972 1.00 70.11 O ATOM 590 OE2 GLU A 43 22.429 12.503 -1.272 1.00 42.32 O ATOM 0 H GLU A 43 18.743 16.679 -0.611 1.00 20.34 H new ATOM 0 HA GLU A 43 21.218 15.889 -1.965 1.00 15.12 H new ATOM 0 HB2 GLU A 43 18.516 14.708 -1.444 1.00 12.15 H new ATOM 0 HB3 GLU A 43 19.315 14.229 -2.928 1.00 12.15 H new ATOM 0 HG2 GLU A 43 20.543 14.006 -0.158 1.00 40.23 H new ATOM 0 HG3 GLU A 43 19.746 12.694 -1.003 1.00 40.23 H new ATOM 597 N LEU A 44 18.813 17.548 -3.337 1.00 22.22 N ATOM 598 CA LEU A 44 18.379 18.236 -4.548 1.00 22.13 C ATOM 599 C LEU A 44 18.781 19.707 -4.512 1.00 20.11 C ATOM 600 O LEU A 44 18.913 20.350 -5.553 1.00 13.13 O ATOM 601 CB LEU A 44 16.863 18.113 -4.712 1.00 43.41 C ATOM 602 CG LEU A 44 16.014 18.824 -3.657 1.00 42.05 C ATOM 603 CD1 LEU A 44 15.775 20.273 -4.052 1.00 50.05 C ATOM 604 CD2 LEU A 44 14.692 18.098 -3.460 1.00 34.13 C ATOM 0 H LEU A 44 18.314 17.826 -2.492 1.00 22.22 H new ATOM 0 HA LEU A 44 18.870 17.765 -5.400 1.00 22.13 H new ATOM 0 HB2 LEU A 44 16.591 18.504 -5.692 1.00 43.41 H new ATOM 0 HB3 LEU A 44 16.602 17.055 -4.707 1.00 43.41 H new ATOM 0 HG LEU A 44 16.557 18.812 -2.712 1.00 42.05 H new ATOM 0 HD11 LEU A 44 15.169 20.763 -3.290 1.00 50.05 H new ATOM 0 HD12 LEU A 44 16.731 20.788 -4.142 1.00 50.05 H new ATOM 0 HD13 LEU A 44 15.253 20.308 -5.008 1.00 50.05 H new ATOM 0 HD21 LEU A 44 14.101 18.617 -2.706 1.00 34.13 H new ATOM 0 HD22 LEU A 44 14.144 18.079 -4.402 1.00 34.13 H new ATOM 0 HD23 LEU A 44 14.883 17.077 -3.131 1.00 34.13 H new ATOM 616 N ALA A 45 18.976 20.232 -3.307 1.00 5.40 N ATOM 617 CA ALA A 45 19.368 21.626 -3.136 1.00 13.04 C ATOM 618 C ALA A 45 20.755 21.882 -3.714 1.00 24.33 C ATOM 619 O ALA A 45 21.120 23.023 -3.997 1.00 75.24 O ATOM 620 CB ALA A 45 19.329 22.008 -1.663 1.00 55.04 C ATOM 0 H ALA A 45 18.869 19.714 -2.435 1.00 5.40 H new ATOM 0 HA ALA A 45 18.657 22.247 -3.681 1.00 13.04 H new ATOM 0 HB1 ALA A 45 19.624 23.051 -1.550 1.00 55.04 H new ATOM 0 HB2 ALA A 45 18.318 21.873 -1.279 1.00 55.04 H new ATOM 0 HB3 ALA A 45 20.017 21.374 -1.104 1.00 55.04 H new ATOM 626 N SER A 46 21.526 20.812 -3.885 1.00 43.51 N ATOM 627 CA SER A 46 22.876 20.922 -4.425 1.00 43.13 C ATOM 628 C SER A 46 22.864 20.800 -5.946 1.00 65.01 C ATOM 629 O SER A 46 23.804 21.220 -6.621 1.00 12.53 O ATOM 630 CB SER A 46 23.779 19.843 -3.823 1.00 14.53 C ATOM 631 OG SER A 46 25.147 20.151 -4.026 1.00 12.33 O ATOM 0 H SER A 46 21.239 19.860 -3.657 1.00 43.51 H new ATOM 0 HA SER A 46 23.268 21.904 -4.159 1.00 43.13 H new ATOM 0 HB2 SER A 46 23.578 19.751 -2.756 1.00 14.53 H new ATOM 0 HB3 SER A 46 23.549 18.878 -4.275 1.00 14.53 H new ATOM 0 HG SER A 46 25.703 19.447 -3.631 1.00 12.33 H new ATOM 637 N ALA A 47 21.793 20.221 -6.479 1.00 23.15 N ATOM 638 CA ALA A 47 21.657 20.045 -7.919 1.00 31.50 C ATOM 639 C ALA A 47 20.791 21.142 -8.527 1.00 13.51 C ATOM 640 O ALA A 47 20.914 21.461 -9.710 1.00 11.14 O ATOM 641 CB ALA A 47 21.072 18.675 -8.230 1.00 32.10 C ATOM 0 H ALA A 47 21.007 19.866 -5.935 1.00 23.15 H new ATOM 0 HA ALA A 47 22.650 20.114 -8.364 1.00 31.50 H new ATOM 0 HB1 ALA A 47 20.976 18.557 -9.309 1.00 32.10 H new ATOM 0 HB2 ALA A 47 21.731 17.900 -7.838 1.00 32.10 H new ATOM 0 HB3 ALA A 47 20.090 18.585 -7.766 1.00 32.10 H new ATOM 647 N VAL A 48 19.913 21.718 -7.711 1.00 23.34 N ATOM 648 CA VAL A 48 19.026 22.781 -8.168 1.00 63.41 C ATOM 649 C VAL A 48 19.793 24.080 -8.387 1.00 11.24 C ATOM 650 O VAL A 48 19.388 24.927 -9.184 1.00 22.51 O ATOM 651 CB VAL A 48 17.887 23.032 -7.163 1.00 12.42 C ATOM 652 CG1 VAL A 48 18.435 23.619 -5.871 1.00 35.45 C ATOM 653 CG2 VAL A 48 16.834 23.948 -7.769 1.00 44.14 C ATOM 0 H VAL A 48 19.797 21.466 -6.729 1.00 23.34 H new ATOM 0 HA VAL A 48 18.598 22.452 -9.115 1.00 63.41 H new ATOM 0 HB VAL A 48 17.415 22.078 -6.930 1.00 12.42 H new ATOM 0 HG11 VAL A 48 17.616 23.790 -5.173 1.00 35.45 H new ATOM 0 HG12 VAL A 48 19.149 22.924 -5.430 1.00 35.45 H new ATOM 0 HG13 VAL A 48 18.933 24.565 -6.084 1.00 35.45 H new ATOM 0 HG21 VAL A 48 16.036 24.115 -7.045 1.00 44.14 H new ATOM 0 HG22 VAL A 48 17.290 24.902 -8.033 1.00 44.14 H new ATOM 0 HG23 VAL A 48 16.420 23.484 -8.664 1.00 44.14 H new ATOM 663 N LYS A 49 20.904 24.232 -7.673 1.00 55.53 N ATOM 664 CA LYS A 49 21.730 25.428 -7.789 1.00 51.12 C ATOM 665 C LYS A 49 22.524 25.416 -9.091 1.00 45.22 C ATOM 666 O LYS A 49 22.879 26.468 -9.621 1.00 43.43 O ATOM 667 CB LYS A 49 22.685 25.531 -6.598 1.00 33.44 C ATOM 668 CG LYS A 49 23.076 26.957 -6.253 1.00 2.11 C ATOM 669 CD LYS A 49 22.087 27.589 -5.288 1.00 50.21 C ATOM 670 CE LYS A 49 20.896 28.187 -6.022 1.00 64.44 C ATOM 671 NZ LYS A 49 20.234 29.257 -5.227 1.00 5.41 N ATOM 0 H LYS A 49 21.253 23.542 -7.008 1.00 55.53 H new ATOM 0 HA LYS A 49 21.070 26.296 -7.794 1.00 51.12 H new ATOM 0 HB2 LYS A 49 22.218 25.071 -5.728 1.00 33.44 H new ATOM 0 HB3 LYS A 49 23.587 24.959 -6.816 1.00 33.44 H new ATOM 0 HG2 LYS A 49 24.072 26.965 -5.811 1.00 2.11 H new ATOM 0 HG3 LYS A 49 23.127 27.552 -7.165 1.00 2.11 H new ATOM 0 HD2 LYS A 49 21.739 26.838 -4.579 1.00 50.21 H new ATOM 0 HD3 LYS A 49 22.587 28.366 -4.710 1.00 50.21 H new ATOM 0 HE2 LYS A 49 21.226 28.596 -6.977 1.00 64.44 H new ATOM 0 HE3 LYS A 49 20.174 27.401 -6.244 1.00 64.44 H new ATOM 0 HZ1 LYS A 49 19.428 29.638 -5.762 1.00 5.41 H new ATOM 0 HZ2 LYS A 49 19.896 28.862 -4.326 1.00 5.41 H new ATOM 0 HZ3 LYS A 49 20.915 30.020 -5.036 1.00 5.41 H new ATOM 685 N GLU A 50 22.799 24.219 -9.601 1.00 54.51 N ATOM 686 CA GLU A 50 23.551 24.073 -10.842 1.00 33.43 C ATOM 687 C GLU A 50 22.682 24.414 -12.049 1.00 14.35 C ATOM 688 O GLU A 50 23.191 24.703 -13.131 1.00 24.41 O ATOM 689 CB GLU A 50 24.087 22.645 -10.973 1.00 52.52 C ATOM 690 CG GLU A 50 25.002 22.447 -12.170 1.00 34.20 C ATOM 691 CD GLU A 50 26.080 23.509 -12.262 1.00 63.53 C ATOM 692 OE1 GLU A 50 26.954 23.546 -11.371 1.00 41.42 O ATOM 693 OE2 GLU A 50 26.050 24.302 -13.227 1.00 22.52 O ATOM 0 H GLU A 50 22.513 23.338 -9.175 1.00 54.51 H new ATOM 0 HA GLU A 50 24.390 24.768 -10.813 1.00 33.43 H new ATOM 0 HB2 GLU A 50 24.630 22.385 -10.064 1.00 52.52 H new ATOM 0 HB3 GLU A 50 23.246 21.956 -11.051 1.00 52.52 H new ATOM 0 HG2 GLU A 50 25.470 21.464 -12.107 1.00 34.20 H new ATOM 0 HG3 GLU A 50 24.407 22.458 -13.083 1.00 34.20 H new ATOM 700 N GLN A 51 21.367 24.379 -11.853 1.00 24.20 N ATOM 701 CA GLN A 51 20.428 24.683 -12.925 1.00 55.43 C ATOM 702 C GLN A 51 19.969 26.136 -12.851 1.00 34.12 C ATOM 703 O GLN A 51 19.968 26.849 -13.854 1.00 40.52 O ATOM 704 CB GLN A 51 19.218 23.750 -12.853 1.00 21.45 C ATOM 705 CG GLN A 51 18.273 23.884 -14.036 1.00 3.52 C ATOM 706 CD GLN A 51 18.530 22.845 -15.109 1.00 43.21 C ATOM 707 OE1 GLN A 51 18.929 23.175 -16.226 1.00 41.44 O ATOM 708 NE2 GLN A 51 18.303 21.580 -14.775 1.00 52.33 N ATOM 0 H GLN A 51 20.929 24.143 -10.962 1.00 24.20 H new ATOM 0 HA GLN A 51 20.940 24.530 -13.875 1.00 55.43 H new ATOM 0 HB2 GLN A 51 19.568 22.719 -12.793 1.00 21.45 H new ATOM 0 HB3 GLN A 51 18.667 23.953 -11.934 1.00 21.45 H new ATOM 0 HG2 GLN A 51 17.245 23.793 -13.687 1.00 3.52 H new ATOM 0 HG3 GLN A 51 18.376 24.880 -14.468 1.00 3.52 H new ATOM 0 HE21 GLN A 51 17.973 21.351 -13.837 1.00 52.33 H new ATOM 0 HE22 GLN A 51 18.459 20.837 -15.456 1.00 52.33 H new ATOM 717 N TYR A 52 19.579 26.567 -11.656 1.00 54.25 N ATOM 718 CA TYR A 52 19.114 27.934 -11.452 1.00 4.14 C ATOM 719 C TYR A 52 19.885 28.607 -10.320 1.00 13.13 C ATOM 720 O TYR A 52 19.387 28.768 -9.205 1.00 52.43 O ATOM 721 CB TYR A 52 17.617 27.945 -11.141 1.00 53.44 C ATOM 722 CG TYR A 52 16.778 27.238 -12.181 1.00 75.04 C ATOM 723 CD1 TYR A 52 17.078 27.343 -13.534 1.00 13.02 C ATOM 724 CD2 TYR A 52 15.685 26.464 -11.811 1.00 72.42 C ATOM 725 CE1 TYR A 52 16.313 26.699 -14.487 1.00 42.13 C ATOM 726 CE2 TYR A 52 14.916 25.815 -12.758 1.00 35.23 C ATOM 727 CZ TYR A 52 15.233 25.936 -14.094 1.00 44.14 C ATOM 728 OH TYR A 52 14.470 25.292 -15.041 1.00 63.11 O ATOM 0 H TYR A 52 19.576 25.990 -10.815 1.00 54.25 H new ATOM 0 HA TYR A 52 19.291 28.492 -12.371 1.00 4.14 H new ATOM 0 HB2 TYR A 52 17.452 27.474 -10.172 1.00 53.44 H new ATOM 0 HB3 TYR A 52 17.280 28.978 -11.055 1.00 53.44 H new ATOM 0 HD1 TYR A 52 17.924 27.938 -13.846 1.00 13.02 H new ATOM 0 HD2 TYR A 52 15.432 26.368 -10.765 1.00 72.42 H new ATOM 0 HE1 TYR A 52 16.559 26.792 -15.534 1.00 42.13 H new ATOM 0 HE2 TYR A 52 14.071 25.216 -12.453 1.00 35.23 H new ATOM 0 HH TYR A 52 13.749 24.797 -14.599 1.00 63.11 H new ATOM 738 N PRO A 53 21.130 29.011 -10.611 1.00 62.42 N ATOM 739 CA PRO A 53 21.997 29.674 -9.633 1.00 11.04 C ATOM 740 C PRO A 53 21.516 31.080 -9.292 1.00 10.33 C ATOM 741 O PRO A 53 22.038 31.722 -8.381 1.00 31.42 O ATOM 742 CB PRO A 53 23.353 29.729 -10.340 1.00 42.50 C ATOM 743 CG PRO A 53 23.024 29.698 -11.793 1.00 24.53 C ATOM 744 CD PRO A 53 21.788 28.851 -11.919 1.00 22.21 C ATOM 0 HA PRO A 53 22.019 29.143 -8.682 1.00 11.04 H new ATOM 0 HB2 PRO A 53 23.900 30.634 -10.077 1.00 42.50 H new ATOM 0 HB3 PRO A 53 23.981 28.884 -10.058 1.00 42.50 H new ATOM 0 HG2 PRO A 53 22.849 30.704 -12.175 1.00 24.53 H new ATOM 0 HG3 PRO A 53 23.847 29.276 -12.371 1.00 24.53 H new ATOM 0 HD2 PRO A 53 21.149 29.191 -12.734 1.00 22.21 H new ATOM 0 HD3 PRO A 53 22.034 27.808 -12.120 1.00 22.21 H new ATOM 752 N GLY A 54 20.517 31.554 -10.030 1.00 15.44 N ATOM 753 CA GLY A 54 19.982 32.882 -9.789 1.00 70.04 C ATOM 754 C GLY A 54 18.885 32.885 -8.743 1.00 23.21 C ATOM 755 O GLY A 54 18.785 33.815 -7.942 1.00 22.41 O ATOM 0 H GLY A 54 20.069 31.043 -10.790 1.00 15.44 H new ATOM 0 HA2 GLY A 54 20.788 33.542 -9.468 1.00 70.04 H new ATOM 0 HA3 GLY A 54 19.591 33.287 -10.722 1.00 70.04 H new ATOM 759 N ILE A 55 18.060 31.843 -8.750 1.00 41.42 N ATOM 760 CA ILE A 55 16.965 31.730 -7.795 1.00 2.33 C ATOM 761 C ILE A 55 17.482 31.756 -6.360 1.00 44.25 C ATOM 762 O ILE A 55 18.674 31.949 -6.124 1.00 65.30 O ATOM 763 CB ILE A 55 16.158 30.437 -8.014 1.00 51.21 C ATOM 764 CG1 ILE A 55 17.007 29.214 -7.662 1.00 12.04 C ATOM 765 CG2 ILE A 55 15.672 30.354 -9.453 1.00 54.23 C ATOM 766 CD1 ILE A 55 16.483 28.437 -6.474 1.00 3.10 C ATOM 0 H ILE A 55 18.129 31.065 -9.406 1.00 41.42 H new ATOM 0 HA ILE A 55 16.313 32.588 -7.960 1.00 2.33 H new ATOM 0 HB ILE A 55 15.288 30.453 -7.357 1.00 51.21 H new ATOM 0 HG12 ILE A 55 17.053 28.552 -8.527 1.00 12.04 H new ATOM 0 HG13 ILE A 55 18.027 29.537 -7.453 1.00 12.04 H new ATOM 0 HG21 ILE A 55 15.103 29.435 -9.592 1.00 54.23 H new ATOM 0 HG22 ILE A 55 15.036 31.211 -9.672 1.00 54.23 H new ATOM 0 HG23 ILE A 55 16.529 30.356 -10.127 1.00 54.23 H new ATOM 0 HD11 ILE A 55 17.134 27.584 -6.282 1.00 3.10 H new ATOM 0 HD12 ILE A 55 16.463 29.083 -5.597 1.00 3.10 H new ATOM 0 HD13 ILE A 55 15.474 28.083 -6.687 1.00 3.10 H new ATOM 778 N GLU A 56 16.577 31.559 -5.407 1.00 41.20 N ATOM 779 CA GLU A 56 16.943 31.559 -3.995 1.00 40.25 C ATOM 780 C GLU A 56 16.175 30.482 -3.235 1.00 25.15 C ATOM 781 O GLU A 56 14.999 30.653 -2.914 1.00 30.13 O ATOM 782 CB GLU A 56 16.669 32.931 -3.375 1.00 22.43 C ATOM 783 CG GLU A 56 17.925 33.752 -3.135 1.00 31.22 C ATOM 784 CD GLU A 56 17.631 35.229 -2.962 1.00 5.43 C ATOM 785 OE1 GLU A 56 16.740 35.745 -3.668 1.00 32.51 O ATOM 786 OE2 GLU A 56 18.294 35.870 -2.119 1.00 41.42 O ATOM 0 H GLU A 56 15.586 31.397 -5.586 1.00 41.20 H new ATOM 0 HA GLU A 56 18.009 31.341 -3.921 1.00 40.25 H new ATOM 0 HB2 GLU A 56 16.000 33.489 -4.030 1.00 22.43 H new ATOM 0 HB3 GLU A 56 16.148 32.795 -2.428 1.00 22.43 H new ATOM 0 HG2 GLU A 56 18.434 33.380 -2.246 1.00 31.22 H new ATOM 0 HG3 GLU A 56 18.609 33.617 -3.973 1.00 31.22 H new ATOM 793 N ILE A 57 16.850 29.373 -2.950 1.00 33.10 N ATOM 794 CA ILE A 57 16.232 28.268 -2.227 1.00 1.32 C ATOM 795 C ILE A 57 16.828 28.124 -0.831 1.00 21.43 C ATOM 796 O ILE A 57 18.029 28.310 -0.636 1.00 33.21 O ATOM 797 CB ILE A 57 16.398 26.937 -2.984 1.00 15.32 C ATOM 798 CG1 ILE A 57 15.955 25.766 -2.104 1.00 5.54 C ATOM 799 CG2 ILE A 57 17.841 26.757 -3.429 1.00 21.02 C ATOM 800 CD1 ILE A 57 14.495 25.822 -1.712 1.00 43.23 C ATOM 0 H ILE A 57 17.824 29.216 -3.209 1.00 33.10 H new ATOM 0 HA ILE A 57 15.170 28.499 -2.144 1.00 1.32 H new ATOM 0 HB ILE A 57 15.765 26.959 -3.871 1.00 15.32 H new ATOM 0 HG12 ILE A 57 16.145 24.832 -2.633 1.00 5.54 H new ATOM 0 HG13 ILE A 57 16.565 25.750 -1.201 1.00 5.54 H new ATOM 0 HG21 ILE A 57 17.942 25.812 -3.962 1.00 21.02 H new ATOM 0 HG22 ILE A 57 18.124 27.578 -4.088 1.00 21.02 H new ATOM 0 HG23 ILE A 57 18.493 26.752 -2.556 1.00 21.02 H new ATOM 0 HD11 ILE A 57 14.252 24.961 -1.089 1.00 43.23 H new ATOM 0 HD12 ILE A 57 14.303 26.739 -1.155 1.00 43.23 H new ATOM 0 HD13 ILE A 57 13.876 25.807 -2.609 1.00 43.23 H new ATOM 812 N GLU A 58 15.980 27.789 0.137 1.00 23.20 N ATOM 813 CA GLU A 58 16.424 27.618 1.515 1.00 4.04 C ATOM 814 C GLU A 58 15.479 26.698 2.282 1.00 73.44 C ATOM 815 O GLU A 58 14.404 26.348 1.793 1.00 1.42 O ATOM 816 CB GLU A 58 16.514 28.975 2.218 1.00 74.54 C ATOM 817 CG GLU A 58 17.815 29.713 1.953 1.00 61.41 C ATOM 818 CD GLU A 58 18.067 30.827 2.949 1.00 13.54 C ATOM 819 OE1 GLU A 58 17.382 31.868 2.862 1.00 71.10 O ATOM 820 OE2 GLU A 58 18.949 30.659 3.817 1.00 31.33 O ATOM 0 H GLU A 58 14.983 27.631 -0.008 1.00 23.20 H new ATOM 0 HA GLU A 58 17.413 27.160 1.496 1.00 4.04 H new ATOM 0 HB2 GLU A 58 15.680 29.598 1.894 1.00 74.54 H new ATOM 0 HB3 GLU A 58 16.403 28.826 3.292 1.00 74.54 H new ATOM 0 HG2 GLU A 58 18.643 29.005 1.988 1.00 61.41 H new ATOM 0 HG3 GLU A 58 17.794 30.129 0.946 1.00 61.41 H new ATOM 827 N SER A 59 15.887 26.308 3.485 1.00 64.11 N ATOM 828 CA SER A 59 15.080 25.425 4.318 1.00 74.44 C ATOM 829 C SER A 59 14.348 26.215 5.398 1.00 51.30 C ATOM 830 O SER A 59 14.911 27.126 6.005 1.00 45.21 O ATOM 831 CB SER A 59 15.959 24.352 4.962 1.00 30.54 C ATOM 832 OG SER A 59 15.661 24.208 6.340 1.00 32.03 O ATOM 0 H SER A 59 16.773 26.590 3.905 1.00 64.11 H new ATOM 0 HA SER A 59 14.339 24.943 3.681 1.00 74.44 H new ATOM 0 HB2 SER A 59 15.808 23.400 4.453 1.00 30.54 H new ATOM 0 HB3 SER A 59 17.009 24.616 4.840 1.00 30.54 H new ATOM 0 HG SER A 59 16.235 23.515 6.728 1.00 32.03 H new ATOM 838 N ARG A 60 13.089 25.860 5.632 1.00 31.12 N ATOM 839 CA ARG A 60 12.279 26.536 6.638 1.00 54.21 C ATOM 840 C ARG A 60 11.639 25.528 7.589 1.00 45.42 C ATOM 841 O ARG A 60 11.682 24.321 7.351 1.00 73.45 O ATOM 842 CB ARG A 60 11.193 27.379 5.966 1.00 1.44 C ATOM 843 CG ARG A 60 10.732 28.559 6.806 1.00 11.42 C ATOM 844 CD ARG A 60 9.997 29.590 5.963 1.00 21.20 C ATOM 845 NE ARG A 60 10.891 30.637 5.476 1.00 23.13 N ATOM 846 CZ ARG A 60 11.452 31.549 6.263 1.00 71.22 C ATOM 847 NH1 ARG A 60 11.212 31.542 7.567 1.00 63.22 N ATOM 848 NH2 ARG A 60 12.255 32.470 5.745 1.00 33.23 N ATOM 0 H ARG A 60 12.608 25.108 5.139 1.00 31.12 H new ATOM 0 HA ARG A 60 12.933 27.190 7.215 1.00 54.21 H new ATOM 0 HB2 ARG A 60 11.569 27.748 5.012 1.00 1.44 H new ATOM 0 HB3 ARG A 60 10.335 26.743 5.746 1.00 1.44 H new ATOM 0 HG2 ARG A 60 10.078 28.206 7.603 1.00 11.42 H new ATOM 0 HG3 ARG A 60 11.593 29.025 7.284 1.00 11.42 H new ATOM 0 HD2 ARG A 60 9.524 29.094 5.115 1.00 21.20 H new ATOM 0 HD3 ARG A 60 9.200 30.040 6.555 1.00 21.20 H new ATOM 0 HE ARG A 60 11.096 30.670 4.477 1.00 23.13 H new ATOM 0 HH11 ARG A 60 10.595 30.835 7.968 1.00 63.22 H new ATOM 0 HH12 ARG A 60 11.644 32.243 8.169 1.00 63.22 H new ATOM 0 HH21 ARG A 60 12.442 32.478 4.742 1.00 33.23 H new ATOM 0 HH22 ARG A 60 12.685 33.170 6.350 1.00 33.23 H new ATOM 862 N LEU A 61 11.049 26.032 8.667 1.00 55.35 N ATOM 863 CA LEU A 61 10.401 25.176 9.654 1.00 15.44 C ATOM 864 C LEU A 61 8.886 25.183 9.471 1.00 3.10 C ATOM 865 O LEU A 61 8.289 26.222 9.191 1.00 22.34 O ATOM 866 CB LEU A 61 10.756 25.637 11.069 1.00 44.00 C ATOM 867 CG LEU A 61 11.987 24.983 11.698 1.00 30.22 C ATOM 868 CD1 LEU A 61 11.809 23.474 11.775 1.00 43.44 C ATOM 869 CD2 LEU A 61 13.240 25.335 10.910 1.00 70.23 C ATOM 0 H LEU A 61 11.006 27.029 8.880 1.00 55.35 H new ATOM 0 HA LEU A 61 10.762 24.158 9.508 1.00 15.44 H new ATOM 0 HB2 LEU A 61 10.912 26.716 11.050 1.00 44.00 H new ATOM 0 HB3 LEU A 61 9.899 25.450 11.716 1.00 44.00 H new ATOM 0 HG LEU A 61 12.101 25.367 12.712 1.00 30.22 H new ATOM 0 HD11 LEU A 61 12.695 23.026 12.225 1.00 43.44 H new ATOM 0 HD12 LEU A 61 10.935 23.241 12.384 1.00 43.44 H new ATOM 0 HD13 LEU A 61 11.669 23.072 10.771 1.00 43.44 H new ATOM 0 HD21 LEU A 61 14.106 24.861 11.372 1.00 70.23 H new ATOM 0 HD22 LEU A 61 13.137 24.980 9.885 1.00 70.23 H new ATOM 0 HD23 LEU A 61 13.377 26.416 10.908 1.00 70.23 H new ATOM 881 N GLY A 62 8.270 24.016 9.633 1.00 64.23 N ATOM 882 CA GLY A 62 6.831 23.910 9.483 1.00 32.33 C ATOM 883 C GLY A 62 6.140 23.530 10.778 1.00 51.00 C ATOM 884 O GLY A 62 5.058 24.031 11.083 1.00 62.35 O ATOM 0 H GLY A 62 8.742 23.142 9.865 1.00 64.23 H new ATOM 0 HA2 GLY A 62 6.435 24.862 9.129 1.00 32.33 H new ATOM 0 HA3 GLY A 62 6.602 23.166 8.720 1.00 32.33 H new ATOM 888 N GLY A 63 6.766 22.640 11.542 1.00 11.13 N ATOM 889 CA GLY A 63 6.189 22.207 12.802 1.00 53.35 C ATOM 890 C GLY A 63 6.674 20.833 13.220 1.00 53.42 C ATOM 891 O GLY A 63 7.432 20.700 14.181 1.00 32.32 O ATOM 0 H GLY A 63 7.662 22.211 11.311 1.00 11.13 H new ATOM 0 HA2 GLY A 63 6.439 22.929 13.579 1.00 53.35 H new ATOM 0 HA3 GLY A 63 5.103 22.195 12.715 1.00 53.35 H new ATOM 895 N THR A 64 6.235 19.807 12.497 1.00 11.25 N ATOM 896 CA THR A 64 6.627 18.436 12.800 1.00 15.44 C ATOM 897 C THR A 64 6.045 17.461 11.784 1.00 72.04 C ATOM 898 O THR A 64 4.901 17.605 11.355 1.00 53.02 O ATOM 899 CB THR A 64 6.171 18.021 14.212 1.00 3.01 C ATOM 900 OG1 THR A 64 6.725 16.744 14.550 1.00 42.44 O ATOM 901 CG2 THR A 64 4.654 17.959 14.295 1.00 74.12 C ATOM 0 H THR A 64 5.608 19.900 11.698 1.00 11.25 H new ATOM 0 HA THR A 64 7.715 18.400 12.752 1.00 15.44 H new ATOM 0 HB THR A 64 6.527 18.770 14.919 1.00 3.01 H new ATOM 0 HG1 THR A 64 6.432 16.488 15.449 1.00 42.44 H new ATOM 0 HG21 THR A 64 4.356 17.664 15.301 1.00 74.12 H new ATOM 0 HG22 THR A 64 4.237 18.940 14.066 1.00 74.12 H new ATOM 0 HG23 THR A 64 4.280 17.229 13.577 1.00 74.12 H new ATOM 909 N GLY A 65 6.841 16.466 11.402 1.00 55.53 N ATOM 910 CA GLY A 65 6.386 15.481 10.438 1.00 1.12 C ATOM 911 C GLY A 65 5.605 16.103 9.298 1.00 72.33 C ATOM 912 O GLY A 65 4.556 15.593 8.904 1.00 24.51 O ATOM 0 H GLY A 65 7.792 16.325 11.743 1.00 55.53 H new ATOM 0 HA2 GLY A 65 7.247 14.947 10.036 1.00 1.12 H new ATOM 0 HA3 GLY A 65 5.761 14.745 10.943 1.00 1.12 H new ATOM 916 N ALA A 66 6.115 17.209 8.767 1.00 62.15 N ATOM 917 CA ALA A 66 5.458 17.901 7.664 1.00 23.45 C ATOM 918 C ALA A 66 6.396 18.046 6.471 1.00 72.34 C ATOM 919 O ALA A 66 7.576 17.704 6.550 1.00 72.50 O ATOM 920 CB ALA A 66 4.963 19.266 8.118 1.00 25.04 C ATOM 0 H ALA A 66 6.981 17.646 9.082 1.00 62.15 H new ATOM 0 HA ALA A 66 4.603 17.303 7.350 1.00 23.45 H new ATOM 0 HB1 ALA A 66 4.475 19.772 7.285 1.00 25.04 H new ATOM 0 HB2 ALA A 66 4.252 19.142 8.934 1.00 25.04 H new ATOM 0 HB3 ALA A 66 5.808 19.864 8.460 1.00 25.04 H new ATOM 926 N PHE A 67 5.863 18.554 5.364 1.00 2.34 N ATOM 927 CA PHE A 67 6.653 18.743 4.153 1.00 75.13 C ATOM 928 C PHE A 67 5.970 19.727 3.207 1.00 61.32 C ATOM 929 O PHE A 67 5.867 19.478 2.006 1.00 1.40 O ATOM 930 CB PHE A 67 6.868 17.403 3.445 1.00 12.42 C ATOM 931 CG PHE A 67 7.981 17.430 2.438 1.00 63.15 C ATOM 932 CD1 PHE A 67 9.303 17.487 2.848 1.00 64.43 C ATOM 933 CD2 PHE A 67 7.706 17.399 1.080 1.00 74.40 C ATOM 934 CE1 PHE A 67 10.331 17.511 1.923 1.00 34.31 C ATOM 935 CE2 PHE A 67 8.728 17.422 0.151 1.00 45.02 C ATOM 936 CZ PHE A 67 10.042 17.479 0.573 1.00 44.42 C ATOM 0 H PHE A 67 4.888 18.842 5.281 1.00 2.34 H new ATOM 0 HA PHE A 67 7.621 19.154 4.440 1.00 75.13 H new ATOM 0 HB2 PHE A 67 7.082 16.637 4.191 1.00 12.42 H new ATOM 0 HB3 PHE A 67 5.944 17.112 2.946 1.00 12.42 H new ATOM 0 HD1 PHE A 67 9.534 17.513 3.903 1.00 64.43 H new ATOM 0 HD2 PHE A 67 6.680 17.356 0.744 1.00 74.40 H new ATOM 0 HE1 PHE A 67 11.358 17.555 2.256 1.00 34.31 H new ATOM 0 HE2 PHE A 67 8.500 17.395 -0.904 1.00 45.02 H new ATOM 0 HZ PHE A 67 10.842 17.499 -0.152 1.00 44.42 H new ATOM 946 N GLU A 68 5.505 20.843 3.758 1.00 5.53 N ATOM 947 CA GLU A 68 4.832 21.864 2.964 1.00 34.10 C ATOM 948 C GLU A 68 5.816 22.568 2.034 1.00 31.42 C ATOM 949 O GLU A 68 6.797 23.159 2.485 1.00 24.11 O ATOM 950 CB GLU A 68 4.155 22.888 3.877 1.00 15.02 C ATOM 951 CG GLU A 68 2.911 22.357 4.571 1.00 63.02 C ATOM 952 CD GLU A 68 2.353 23.329 5.593 1.00 65.52 C ATOM 953 OE1 GLU A 68 2.341 24.545 5.309 1.00 24.22 O ATOM 954 OE2 GLU A 68 1.930 22.873 6.675 1.00 14.24 O ATOM 0 H GLU A 68 5.582 21.063 4.751 1.00 5.53 H new ATOM 0 HA GLU A 68 4.073 21.372 2.356 1.00 34.10 H new ATOM 0 HB2 GLU A 68 4.869 23.217 4.632 1.00 15.02 H new ATOM 0 HB3 GLU A 68 3.886 23.765 3.288 1.00 15.02 H new ATOM 0 HG2 GLU A 68 2.147 22.142 3.824 1.00 63.02 H new ATOM 0 HG3 GLU A 68 3.149 21.414 5.064 1.00 63.02 H new ATOM 961 N ILE A 69 5.546 22.498 0.735 1.00 41.40 N ATOM 962 CA ILE A 69 6.407 23.129 -0.258 1.00 71.31 C ATOM 963 C ILE A 69 5.963 24.560 -0.542 1.00 33.32 C ATOM 964 O ILE A 69 4.773 24.830 -0.704 1.00 22.41 O ATOM 965 CB ILE A 69 6.418 22.335 -1.578 1.00 41.42 C ATOM 966 CG1 ILE A 69 6.888 20.900 -1.332 1.00 12.20 C ATOM 967 CG2 ILE A 69 7.310 23.022 -2.601 1.00 42.33 C ATOM 968 CD1 ILE A 69 6.630 19.972 -2.498 1.00 33.41 C ATOM 0 H ILE A 69 4.739 22.011 0.346 1.00 41.40 H new ATOM 0 HA ILE A 69 7.414 23.140 0.159 1.00 71.31 H new ATOM 0 HB ILE A 69 5.403 22.302 -1.973 1.00 41.42 H new ATOM 0 HG12 ILE A 69 7.956 20.908 -1.114 1.00 12.20 H new ATOM 0 HG13 ILE A 69 6.385 20.508 -0.448 1.00 12.20 H new ATOM 0 HG21 ILE A 69 7.308 22.449 -3.528 1.00 42.33 H new ATOM 0 HG22 ILE A 69 6.935 24.027 -2.794 1.00 42.33 H new ATOM 0 HG23 ILE A 69 8.327 23.082 -2.214 1.00 42.33 H new ATOM 0 HD11 ILE A 69 6.989 18.972 -2.253 1.00 33.41 H new ATOM 0 HD12 ILE A 69 5.560 19.934 -2.703 1.00 33.41 H new ATOM 0 HD13 ILE A 69 7.155 20.340 -3.379 1.00 33.41 H new ATOM 980 N GLU A 70 6.928 25.472 -0.602 1.00 15.21 N ATOM 981 CA GLU A 70 6.635 26.876 -0.867 1.00 60.13 C ATOM 982 C GLU A 70 7.486 27.400 -2.020 1.00 40.43 C ATOM 983 O GLU A 70 8.627 27.820 -1.823 1.00 14.24 O ATOM 984 CB GLU A 70 6.881 27.717 0.387 1.00 45.22 C ATOM 985 CG GLU A 70 6.218 27.159 1.634 1.00 34.14 C ATOM 986 CD GLU A 70 5.929 28.228 2.670 1.00 40.41 C ATOM 987 OE1 GLU A 70 6.869 28.626 3.389 1.00 25.23 O ATOM 988 OE2 GLU A 70 4.764 28.668 2.761 1.00 32.42 O ATOM 0 H GLU A 70 7.918 25.265 -0.471 1.00 15.21 H new ATOM 0 HA GLU A 70 5.585 26.955 -1.148 1.00 60.13 H new ATOM 0 HB2 GLU A 70 7.955 27.792 0.559 1.00 45.22 H new ATOM 0 HB3 GLU A 70 6.515 28.729 0.213 1.00 45.22 H new ATOM 0 HG2 GLU A 70 5.286 26.667 1.356 1.00 34.14 H new ATOM 0 HG3 GLU A 70 6.862 26.397 2.073 1.00 34.14 H new ATOM 995 N ILE A 71 6.923 27.372 -3.224 1.00 3.24 N ATOM 996 CA ILE A 71 7.629 27.845 -4.408 1.00 25.12 C ATOM 997 C ILE A 71 7.819 29.357 -4.368 1.00 14.51 C ATOM 998 O ILE A 71 8.698 29.901 -5.034 1.00 63.14 O ATOM 999 CB ILE A 71 6.880 27.466 -5.699 1.00 12.41 C ATOM 1000 CG1 ILE A 71 7.636 27.985 -6.924 1.00 55.00 C ATOM 1001 CG2 ILE A 71 5.463 28.020 -5.670 1.00 70.12 C ATOM 1002 CD1 ILE A 71 9.072 27.516 -6.991 1.00 2.31 C ATOM 0 H ILE A 71 5.980 27.027 -3.405 1.00 3.24 H new ATOM 0 HA ILE A 71 8.605 27.359 -4.408 1.00 25.12 H new ATOM 0 HB ILE A 71 6.824 26.379 -5.764 1.00 12.41 H new ATOM 0 HG12 ILE A 71 7.115 27.663 -7.826 1.00 55.00 H new ATOM 0 HG13 ILE A 71 7.618 29.075 -6.917 1.00 55.00 H new ATOM 0 HG21 ILE A 71 4.946 27.744 -6.589 1.00 70.12 H new ATOM 0 HG22 ILE A 71 4.928 27.607 -4.815 1.00 70.12 H new ATOM 0 HG23 ILE A 71 5.499 29.106 -5.586 1.00 70.12 H new ATOM 0 HD11 ILE A 71 9.546 27.922 -7.885 1.00 2.31 H new ATOM 0 HD12 ILE A 71 9.609 27.860 -6.107 1.00 2.31 H new ATOM 0 HD13 ILE A 71 9.098 26.427 -7.030 1.00 2.31 H new ATOM 1014 N ASN A 72 6.987 30.032 -3.580 1.00 62.30 N ATOM 1015 CA ASN A 72 7.064 31.482 -3.452 1.00 15.44 C ATOM 1016 C ASN A 72 6.884 31.910 -1.998 1.00 52.12 C ATOM 1017 O ASN A 72 6.334 32.974 -1.717 1.00 4.24 O ATOM 1018 CB ASN A 72 6.000 32.149 -4.326 1.00 40.34 C ATOM 1019 CG ASN A 72 6.473 32.361 -5.751 1.00 44.25 C ATOM 1020 OD1 ASN A 72 6.702 33.493 -6.180 1.00 23.44 O ATOM 1021 ND2 ASN A 72 6.622 31.270 -6.494 1.00 1.22 N ATOM 0 H ASN A 72 6.253 29.598 -3.021 1.00 62.30 H new ATOM 0 HA ASN A 72 8.052 31.799 -3.787 1.00 15.44 H new ATOM 0 HB2 ASN A 72 5.101 31.533 -4.332 1.00 40.34 H new ATOM 0 HB3 ASN A 72 5.726 33.110 -3.890 1.00 40.34 H new ATOM 0 HD21 ASN A 72 6.938 31.350 -7.461 1.00 1.22 H new ATOM 0 HD22 ASN A 72 6.421 30.352 -6.098 1.00 1.22 H new ATOM 1028 N GLY A 73 7.352 31.072 -1.078 1.00 0.20 N ATOM 1029 CA GLY A 73 7.234 31.381 0.335 1.00 21.11 C ATOM 1030 C GLY A 73 5.880 31.000 0.901 1.00 42.24 C ATOM 1031 O GLY A 73 5.664 31.071 2.110 1.00 23.11 O ATOM 0 H GLY A 73 7.811 30.185 -1.286 1.00 0.20 H new ATOM 0 HA2 GLY A 73 8.015 30.856 0.885 1.00 21.11 H new ATOM 0 HA3 GLY A 73 7.400 32.448 0.486 1.00 21.11 H new ATOM 1035 N GLN A 74 4.966 30.597 0.024 1.00 44.33 N ATOM 1036 CA GLN A 74 3.626 30.207 0.443 1.00 33.43 C ATOM 1037 C GLN A 74 3.318 28.775 0.018 1.00 74.12 C ATOM 1038 O GLN A 74 3.819 28.297 -1.001 1.00 10.21 O ATOM 1039 CB GLN A 74 2.586 31.161 -0.146 1.00 13.34 C ATOM 1040 CG GLN A 74 2.684 32.578 0.397 1.00 35.24 C ATOM 1041 CD GLN A 74 2.063 33.603 -0.531 1.00 32.11 C ATOM 1042 OE1 GLN A 74 1.076 34.254 -0.185 1.00 63.21 O ATOM 1043 NE2 GLN A 74 2.639 33.752 -1.718 1.00 53.41 N ATOM 0 H GLN A 74 5.130 30.532 -0.981 1.00 44.33 H new ATOM 0 HA GLN A 74 3.583 30.261 1.531 1.00 33.43 H new ATOM 0 HB2 GLN A 74 2.701 31.187 -1.230 1.00 13.34 H new ATOM 0 HB3 GLN A 74 1.589 30.770 0.059 1.00 13.34 H new ATOM 0 HG2 GLN A 74 2.190 32.626 1.368 1.00 35.24 H new ATOM 0 HG3 GLN A 74 3.732 32.829 0.560 1.00 35.24 H new ATOM 0 HE21 GLN A 74 3.455 33.191 -1.963 1.00 53.41 H new ATOM 0 HE22 GLN A 74 2.265 34.427 -2.385 1.00 53.41 H new ATOM 1052 N LEU A 75 2.491 28.094 0.804 1.00 53.42 N ATOM 1053 CA LEU A 75 2.115 26.716 0.509 1.00 65.13 C ATOM 1054 C LEU A 75 1.347 26.630 -0.806 1.00 51.21 C ATOM 1055 O LEU A 75 0.283 27.232 -0.956 1.00 22.51 O ATOM 1056 CB LEU A 75 1.268 26.142 1.646 1.00 4.51 C ATOM 1057 CG LEU A 75 0.914 24.659 1.537 1.00 24.12 C ATOM 1058 CD1 LEU A 75 2.170 23.824 1.341 1.00 31.50 C ATOM 1059 CD2 LEU A 75 0.154 24.200 2.773 1.00 51.12 C ATOM 0 H LEU A 75 2.068 28.474 1.651 1.00 53.42 H new ATOM 0 HA LEU A 75 3.029 26.129 0.414 1.00 65.13 H new ATOM 0 HB2 LEU A 75 1.800 26.300 2.584 1.00 4.51 H new ATOM 0 HB3 LEU A 75 0.341 26.713 1.706 1.00 4.51 H new ATOM 0 HG LEU A 75 0.271 24.521 0.668 1.00 24.12 H new ATOM 0 HD11 LEU A 75 1.899 22.771 1.265 1.00 31.50 H new ATOM 0 HD12 LEU A 75 2.675 24.135 0.426 1.00 31.50 H new ATOM 0 HD13 LEU A 75 2.838 23.967 2.191 1.00 31.50 H new ATOM 0 HD21 LEU A 75 -0.090 23.142 2.678 1.00 51.12 H new ATOM 0 HD22 LEU A 75 0.772 24.352 3.658 1.00 51.12 H new ATOM 0 HD23 LEU A 75 -0.766 24.777 2.870 1.00 51.12 H new ATOM 1071 N VAL A 76 1.892 25.877 -1.756 1.00 72.02 N ATOM 1072 CA VAL A 76 1.256 25.709 -3.058 1.00 1.45 C ATOM 1073 C VAL A 76 0.899 24.249 -3.311 1.00 11.13 C ATOM 1074 O VAL A 76 -0.022 23.947 -4.070 1.00 20.41 O ATOM 1075 CB VAL A 76 2.166 26.209 -4.195 1.00 64.43 C ATOM 1076 CG1 VAL A 76 2.234 27.728 -4.198 1.00 12.12 C ATOM 1077 CG2 VAL A 76 3.557 25.605 -4.068 1.00 50.21 C ATOM 0 H VAL A 76 2.773 25.373 -1.649 1.00 72.02 H new ATOM 0 HA VAL A 76 0.344 26.305 -3.044 1.00 1.45 H new ATOM 0 HB VAL A 76 1.740 25.888 -5.145 1.00 64.43 H new ATOM 0 HG11 VAL A 76 2.882 28.062 -5.009 1.00 12.12 H new ATOM 0 HG12 VAL A 76 1.234 28.137 -4.341 1.00 12.12 H new ATOM 0 HG13 VAL A 76 2.635 28.076 -3.246 1.00 12.12 H new ATOM 0 HG21 VAL A 76 4.187 25.969 -4.880 1.00 50.21 H new ATOM 0 HG22 VAL A 76 3.993 25.894 -3.112 1.00 50.21 H new ATOM 0 HG23 VAL A 76 3.488 24.518 -4.121 1.00 50.21 H new ATOM 1087 N PHE A 77 1.634 23.346 -2.669 1.00 55.34 N ATOM 1088 CA PHE A 77 1.395 21.916 -2.825 1.00 52.11 C ATOM 1089 C PHE A 77 1.923 21.142 -1.621 1.00 1.32 C ATOM 1090 O PHE A 77 3.113 20.837 -1.539 1.00 33.12 O ATOM 1091 CB PHE A 77 2.057 21.403 -4.106 1.00 3.45 C ATOM 1092 CG PHE A 77 1.260 21.684 -5.347 1.00 12.31 C ATOM 1093 CD1 PHE A 77 0.058 21.034 -5.576 1.00 40.12 C ATOM 1094 CD2 PHE A 77 1.712 22.598 -6.285 1.00 4.21 C ATOM 1095 CE1 PHE A 77 -0.679 21.291 -6.717 1.00 65.54 C ATOM 1096 CE2 PHE A 77 0.980 22.859 -7.428 1.00 0.04 C ATOM 1097 CZ PHE A 77 -0.216 22.204 -7.645 1.00 32.52 C ATOM 0 H PHE A 77 2.399 23.579 -2.036 1.00 55.34 H new ATOM 0 HA PHE A 77 0.319 21.758 -2.893 1.00 52.11 H new ATOM 0 HB2 PHE A 77 3.041 21.860 -4.205 1.00 3.45 H new ATOM 0 HB3 PHE A 77 2.212 20.328 -4.019 1.00 3.45 H new ATOM 0 HD1 PHE A 77 -0.307 20.318 -4.855 1.00 40.12 H new ATOM 0 HD2 PHE A 77 2.647 23.113 -6.121 1.00 4.21 H new ATOM 0 HE1 PHE A 77 -1.615 20.779 -6.883 1.00 65.54 H new ATOM 0 HE2 PHE A 77 1.343 23.575 -8.151 1.00 0.04 H new ATOM 0 HZ PHE A 77 -0.789 22.405 -8.538 1.00 32.52 H new ATOM 1107 N SER A 78 1.030 20.829 -0.688 1.00 35.00 N ATOM 1108 CA SER A 78 1.405 20.095 0.515 1.00 62.24 C ATOM 1109 C SER A 78 1.589 18.611 0.210 1.00 13.12 C ATOM 1110 O SER A 78 0.989 18.078 -0.723 1.00 73.52 O ATOM 1111 CB SER A 78 0.344 20.277 1.601 1.00 32.42 C ATOM 1112 OG SER A 78 -0.352 21.500 1.435 1.00 3.12 O ATOM 0 H SER A 78 0.041 21.072 -0.742 1.00 35.00 H new ATOM 0 HA SER A 78 2.353 20.495 0.874 1.00 62.24 H new ATOM 0 HB2 SER A 78 -0.361 19.446 1.568 1.00 32.42 H new ATOM 0 HB3 SER A 78 0.817 20.255 2.583 1.00 32.42 H new ATOM 0 HG SER A 78 -1.115 21.363 0.836 1.00 3.12 H new ATOM 1118 N LYS A 79 2.423 17.949 1.005 1.00 50.40 N ATOM 1119 CA LYS A 79 2.687 16.527 0.824 1.00 73.23 C ATOM 1120 C LYS A 79 1.988 15.702 1.900 1.00 54.41 C ATOM 1121 O LYS A 79 1.943 14.474 1.824 1.00 75.21 O ATOM 1122 CB LYS A 79 4.193 16.258 0.858 1.00 32.12 C ATOM 1123 CG LYS A 79 4.809 16.070 -0.517 1.00 52.14 C ATOM 1124 CD LYS A 79 4.725 17.342 -1.344 1.00 74.15 C ATOM 1125 CE LYS A 79 4.693 17.037 -2.834 1.00 71.12 C ATOM 1126 NZ LYS A 79 5.987 16.478 -3.314 1.00 4.23 N ATOM 0 H LYS A 79 2.928 18.376 1.782 1.00 50.40 H new ATOM 0 HA LYS A 79 2.293 16.231 -0.148 1.00 73.23 H new ATOM 0 HB2 LYS A 79 4.691 17.088 1.359 1.00 32.12 H new ATOM 0 HB3 LYS A 79 4.381 15.366 1.456 1.00 32.12 H new ATOM 0 HG2 LYS A 79 5.852 15.772 -0.412 1.00 52.14 H new ATOM 0 HG3 LYS A 79 4.297 15.261 -1.039 1.00 52.14 H new ATOM 0 HD2 LYS A 79 3.830 17.899 -1.066 1.00 74.15 H new ATOM 0 HD3 LYS A 79 5.580 17.980 -1.120 1.00 74.15 H new ATOM 0 HE2 LYS A 79 3.892 16.328 -3.042 1.00 71.12 H new ATOM 0 HE3 LYS A 79 4.464 17.948 -3.386 1.00 71.12 H new ATOM 0 HZ1 LYS A 79 6.117 16.717 -4.318 1.00 4.23 H new ATOM 0 HZ2 LYS A 79 6.767 16.882 -2.758 1.00 4.23 H new ATOM 0 HZ3 LYS A 79 5.981 15.444 -3.202 1.00 4.23 H new ATOM 1140 N LEU A 80 1.442 16.385 2.901 1.00 44.14 N ATOM 1141 CA LEU A 80 0.743 15.716 3.992 1.00 24.32 C ATOM 1142 C LEU A 80 -0.679 15.347 3.583 1.00 61.30 C ATOM 1143 O LEU A 80 -1.341 14.554 4.252 1.00 12.51 O ATOM 1144 CB LEU A 80 0.713 16.613 5.231 1.00 65.41 C ATOM 1145 CG LEU A 80 2.053 16.826 5.937 1.00 14.34 C ATOM 1146 CD1 LEU A 80 1.868 17.675 7.186 1.00 20.30 C ATOM 1147 CD2 LEU A 80 2.690 15.490 6.288 1.00 31.40 C ATOM 0 H LEU A 80 1.470 17.402 2.979 1.00 44.14 H new ATOM 0 HA LEU A 80 1.283 14.799 4.228 1.00 24.32 H new ATOM 0 HB2 LEU A 80 0.319 17.587 4.941 1.00 65.41 H new ATOM 0 HB3 LEU A 80 0.011 16.186 5.947 1.00 65.41 H new ATOM 0 HG LEU A 80 2.720 17.356 5.257 1.00 14.34 H new ATOM 0 HD11 LEU A 80 2.831 17.816 7.676 1.00 20.30 H new ATOM 0 HD12 LEU A 80 1.456 18.645 6.909 1.00 20.30 H new ATOM 0 HD13 LEU A 80 1.184 17.172 7.870 1.00 20.30 H new ATOM 0 HD21 LEU A 80 3.642 15.662 6.790 1.00 31.40 H new ATOM 0 HD22 LEU A 80 2.027 14.933 6.950 1.00 31.40 H new ATOM 0 HD23 LEU A 80 2.858 14.916 5.376 1.00 31.40 H new ATOM 1159 N GLU A 81 -1.141 15.925 2.479 1.00 45.43 N ATOM 1160 CA GLU A 81 -2.484 15.656 1.980 1.00 30.41 C ATOM 1161 C GLU A 81 -2.447 14.645 0.837 1.00 15.03 C ATOM 1162 O GLU A 81 -3.201 13.673 0.830 1.00 32.23 O ATOM 1163 CB GLU A 81 -3.147 16.952 1.509 1.00 62.44 C ATOM 1164 CG GLU A 81 -2.317 17.727 0.499 1.00 75.13 C ATOM 1165 CD GLU A 81 -2.892 19.098 0.202 1.00 55.24 C ATOM 1166 OE1 GLU A 81 -4.053 19.351 0.588 1.00 21.34 O ATOM 1167 OE2 GLU A 81 -2.183 19.918 -0.418 1.00 11.25 O ATOM 0 H GLU A 81 -0.605 16.583 1.913 1.00 45.43 H new ATOM 0 HA GLU A 81 -3.070 15.234 2.797 1.00 30.41 H new ATOM 0 HB2 GLU A 81 -4.115 16.715 1.067 1.00 62.44 H new ATOM 0 HB3 GLU A 81 -3.339 17.588 2.374 1.00 62.44 H new ATOM 0 HG2 GLU A 81 -1.301 17.837 0.878 1.00 75.13 H new ATOM 0 HG3 GLU A 81 -2.252 17.156 -0.427 1.00 75.13 H new ATOM 1174 N ASN A 82 -1.565 14.884 -0.128 1.00 33.32 N ATOM 1175 CA ASN A 82 -1.431 13.996 -1.277 1.00 24.32 C ATOM 1176 C ASN A 82 -0.937 12.618 -0.845 1.00 15.03 C ATOM 1177 O ASN A 82 -1.600 11.608 -1.080 1.00 2.24 O ATOM 1178 CB ASN A 82 -0.467 14.596 -2.302 1.00 5.53 C ATOM 1179 CG ASN A 82 -0.529 13.886 -3.640 1.00 51.11 C ATOM 1180 OD1 ASN A 82 -1.156 14.369 -4.583 1.00 50.21 O ATOM 1181 ND2 ASN A 82 0.122 12.732 -3.728 1.00 44.33 N ATOM 0 H ASN A 82 -0.933 15.684 -0.137 1.00 33.32 H new ATOM 0 HA ASN A 82 -2.414 13.884 -1.734 1.00 24.32 H new ATOM 0 HB2 ASN A 82 -0.701 15.651 -2.443 1.00 5.53 H new ATOM 0 HB3 ASN A 82 0.550 14.545 -1.913 1.00 5.53 H new ATOM 0 HD21 ASN A 82 0.115 12.208 -4.603 1.00 44.33 H new ATOM 0 HD22 ASN A 82 0.629 12.369 -2.920 1.00 44.33 H new ATOM 1188 N GLY A 83 0.231 12.586 -0.211 1.00 32.53 N ATOM 1189 CA GLY A 83 0.793 11.327 0.245 1.00 51.52 C ATOM 1190 C GLY A 83 2.304 11.374 0.356 1.00 51.00 C ATOM 1191 O GLY A 83 2.908 10.552 1.044 1.00 44.25 O ATOM 0 H GLY A 83 0.798 13.408 -0.005 1.00 32.53 H new ATOM 0 HA2 GLY A 83 0.368 11.073 1.216 1.00 51.52 H new ATOM 0 HA3 GLY A 83 0.507 10.533 -0.445 1.00 51.52 H new ATOM 1236 N TYR A 87 9.316 14.785 -6.298 1.00 30.34 N ATOM 1237 CA TYR A 87 10.108 14.525 -7.494 1.00 20.42 C ATOM 1238 C TYR A 87 11.123 15.640 -7.728 1.00 74.45 C ATOM 1239 O TYR A 87 10.863 16.803 -7.424 1.00 2.13 O ATOM 1240 CB TYR A 87 9.196 14.384 -8.714 1.00 44.41 C ATOM 1241 CG TYR A 87 8.105 13.353 -8.539 1.00 61.42 C ATOM 1242 CD1 TYR A 87 8.368 11.999 -8.706 1.00 25.31 C ATOM 1243 CD2 TYR A 87 6.810 13.732 -8.206 1.00 64.12 C ATOM 1244 CE1 TYR A 87 7.374 11.053 -8.548 1.00 22.21 C ATOM 1245 CE2 TYR A 87 5.810 12.793 -8.045 1.00 22.23 C ATOM 1246 CZ TYR A 87 6.097 11.455 -8.217 1.00 71.31 C ATOM 1247 OH TYR A 87 5.104 10.515 -8.057 1.00 50.44 O ATOM 0 HA TYR A 87 10.650 13.591 -7.345 1.00 20.42 H new ATOM 0 HB2 TYR A 87 8.740 15.350 -8.930 1.00 44.41 H new ATOM 0 HB3 TYR A 87 9.801 14.117 -9.580 1.00 44.41 H new ATOM 0 HD1 TYR A 87 9.367 11.681 -8.964 1.00 25.31 H new ATOM 0 HD2 TYR A 87 6.582 14.779 -8.071 1.00 64.12 H new ATOM 0 HE1 TYR A 87 7.596 10.005 -8.683 1.00 22.21 H new ATOM 0 HE2 TYR A 87 4.809 13.105 -7.786 1.00 22.23 H new ATOM 0 HH TYR A 87 4.264 10.963 -7.824 1.00 50.44 H new ATOM 1257 N GLU A 88 12.279 15.274 -8.273 1.00 71.31 N ATOM 1258 CA GLU A 88 13.333 16.243 -8.549 1.00 21.42 C ATOM 1259 C GLU A 88 12.913 17.202 -9.658 1.00 43.53 C ATOM 1260 O GLU A 88 13.458 18.299 -9.786 1.00 1.23 O ATOM 1261 CB GLU A 88 14.626 15.525 -8.942 1.00 71.24 C ATOM 1262 CG GLU A 88 14.460 14.569 -10.112 1.00 35.13 C ATOM 1263 CD GLU A 88 15.787 14.124 -10.695 1.00 13.02 C ATOM 1264 OE1 GLU A 88 16.795 14.828 -10.481 1.00 4.05 O ATOM 1265 OE2 GLU A 88 15.816 13.071 -11.366 1.00 30.14 O ATOM 0 H GLU A 88 12.509 14.315 -8.532 1.00 71.31 H new ATOM 0 HA GLU A 88 13.508 16.820 -7.641 1.00 21.42 H new ATOM 0 HB2 GLU A 88 15.382 16.268 -9.196 1.00 71.24 H new ATOM 0 HB3 GLU A 88 15.000 14.971 -8.081 1.00 71.24 H new ATOM 0 HG2 GLU A 88 13.900 13.693 -9.784 1.00 35.13 H new ATOM 0 HG3 GLU A 88 13.869 15.052 -10.890 1.00 35.13 H new ATOM 1272 N LYS A 89 11.941 16.782 -10.460 1.00 70.51 N ATOM 1273 CA LYS A 89 11.446 17.602 -11.559 1.00 72.11 C ATOM 1274 C LYS A 89 10.225 18.409 -11.129 1.00 2.04 C ATOM 1275 O LYS A 89 9.961 19.486 -11.664 1.00 21.14 O ATOM 1276 CB LYS A 89 11.091 16.722 -12.760 1.00 30.02 C ATOM 1277 CG LYS A 89 9.857 15.863 -12.541 1.00 45.12 C ATOM 1278 CD LYS A 89 9.864 14.639 -13.441 1.00 30.53 C ATOM 1279 CE LYS A 89 10.677 13.505 -12.834 1.00 12.34 C ATOM 1280 NZ LYS A 89 9.869 12.689 -11.886 1.00 73.10 N ATOM 0 H LYS A 89 11.480 15.877 -10.369 1.00 70.51 H new ATOM 0 HA LYS A 89 12.236 18.296 -11.845 1.00 72.11 H new ATOM 0 HB2 LYS A 89 10.931 17.358 -13.631 1.00 30.02 H new ATOM 0 HB3 LYS A 89 11.938 16.075 -12.989 1.00 30.02 H new ATOM 0 HG2 LYS A 89 9.811 15.549 -11.498 1.00 45.12 H new ATOM 0 HG3 LYS A 89 8.962 16.454 -12.735 1.00 45.12 H new ATOM 0 HD2 LYS A 89 8.840 14.304 -13.610 1.00 30.53 H new ATOM 0 HD3 LYS A 89 10.277 14.904 -14.414 1.00 30.53 H new ATOM 0 HE2 LYS A 89 11.059 12.865 -13.630 1.00 12.34 H new ATOM 0 HE3 LYS A 89 11.542 13.916 -12.313 1.00 12.34 H new ATOM 0 HZ1 LYS A 89 10.483 12.326 -11.130 1.00 73.10 H new ATOM 0 HZ2 LYS A 89 9.121 13.279 -11.470 1.00 73.10 H new ATOM 0 HZ3 LYS A 89 9.438 11.891 -12.395 1.00 73.10 H new ATOM 1294 N ASP A 90 9.486 17.883 -10.159 1.00 32.44 N ATOM 1295 CA ASP A 90 8.294 18.556 -9.654 1.00 64.34 C ATOM 1296 C ASP A 90 8.672 19.701 -8.720 1.00 53.01 C ATOM 1297 O ASP A 90 7.858 20.582 -8.440 1.00 35.11 O ATOM 1298 CB ASP A 90 7.391 17.561 -8.923 1.00 65.03 C ATOM 1299 CG ASP A 90 6.205 18.234 -8.261 1.00 43.13 C ATOM 1300 OD1 ASP A 90 5.183 18.442 -8.947 1.00 40.52 O ATOM 1301 OD2 ASP A 90 6.300 18.553 -7.057 1.00 54.23 O ATOM 0 H ASP A 90 9.691 16.992 -9.706 1.00 32.44 H new ATOM 0 HA ASP A 90 7.752 18.969 -10.505 1.00 64.34 H new ATOM 0 HB2 ASP A 90 7.033 16.813 -9.630 1.00 65.03 H new ATOM 0 HB3 ASP A 90 7.973 17.033 -8.168 1.00 65.03 H new ATOM 1306 N LEU A 91 9.910 19.682 -8.240 1.00 2.31 N ATOM 1307 CA LEU A 91 10.396 20.719 -7.336 1.00 31.14 C ATOM 1308 C LEU A 91 11.148 21.802 -8.102 1.00 61.25 C ATOM 1309 O LEU A 91 11.362 22.902 -7.593 1.00 14.22 O ATOM 1310 CB LEU A 91 11.306 20.107 -6.269 1.00 43.32 C ATOM 1311 CG LEU A 91 10.602 19.407 -5.106 1.00 51.45 C ATOM 1312 CD1 LEU A 91 11.430 18.232 -4.611 1.00 34.23 C ATOM 1313 CD2 LEU A 91 10.336 20.390 -3.975 1.00 71.40 C ATOM 0 H LEU A 91 10.596 18.960 -8.461 1.00 2.31 H new ATOM 0 HA LEU A 91 9.534 21.177 -6.851 1.00 31.14 H new ATOM 0 HB2 LEU A 91 11.967 19.388 -6.753 1.00 43.32 H new ATOM 0 HB3 LEU A 91 11.938 20.897 -5.862 1.00 43.32 H new ATOM 0 HG LEU A 91 9.645 19.026 -5.461 1.00 51.45 H new ATOM 0 HD11 LEU A 91 10.913 17.746 -3.783 1.00 34.23 H new ATOM 0 HD12 LEU A 91 11.569 17.517 -5.422 1.00 34.23 H new ATOM 0 HD13 LEU A 91 12.402 18.589 -4.272 1.00 34.23 H new ATOM 0 HD21 LEU A 91 9.834 19.875 -3.156 1.00 71.40 H new ATOM 0 HD22 LEU A 91 11.281 20.801 -3.621 1.00 71.40 H new ATOM 0 HD23 LEU A 91 9.702 21.199 -4.338 1.00 71.40 H new ATOM 1325 N ILE A 92 11.545 21.483 -9.330 1.00 22.13 N ATOM 1326 CA ILE A 92 12.270 22.430 -10.168 1.00 23.14 C ATOM 1327 C ILE A 92 11.361 23.027 -11.236 1.00 13.32 C ATOM 1328 O ILE A 92 11.604 24.129 -11.726 1.00 44.14 O ATOM 1329 CB ILE A 92 13.479 21.765 -10.852 1.00 42.11 C ATOM 1330 CG1 ILE A 92 14.377 22.826 -11.493 1.00 72.51 C ATOM 1331 CG2 ILE A 92 13.011 20.759 -11.893 1.00 44.55 C ATOM 1332 CD1 ILE A 92 15.849 22.479 -11.448 1.00 14.02 C ATOM 0 H ILE A 92 11.377 20.576 -9.766 1.00 22.13 H new ATOM 0 HA ILE A 92 12.625 23.224 -9.512 1.00 23.14 H new ATOM 0 HB ILE A 92 14.059 21.234 -10.097 1.00 42.11 H new ATOM 0 HG12 ILE A 92 14.076 22.966 -12.531 1.00 72.51 H new ATOM 0 HG13 ILE A 92 14.221 23.778 -10.985 1.00 72.51 H new ATOM 0 HG21 ILE A 92 13.877 20.297 -12.368 1.00 44.55 H new ATOM 0 HG22 ILE A 92 12.409 19.990 -11.410 1.00 44.55 H new ATOM 0 HG23 ILE A 92 12.412 21.268 -12.648 1.00 44.55 H new ATOM 0 HD11 ILE A 92 16.425 23.275 -11.920 1.00 14.02 H new ATOM 0 HD12 ILE A 92 16.165 22.368 -10.411 1.00 14.02 H new ATOM 0 HD13 ILE A 92 16.019 21.543 -11.981 1.00 14.02 H new ATOM 1344 N GLU A 93 10.311 22.293 -11.590 1.00 33.23 N ATOM 1345 CA GLU A 93 9.364 22.751 -12.599 1.00 52.43 C ATOM 1346 C GLU A 93 8.435 23.819 -12.029 1.00 35.23 C ATOM 1347 O GLU A 93 7.633 24.410 -12.752 1.00 3.13 O ATOM 1348 CB GLU A 93 8.542 21.575 -13.131 1.00 51.52 C ATOM 1349 CG GLU A 93 7.545 21.025 -12.125 1.00 52.43 C ATOM 1350 CD GLU A 93 6.193 21.707 -12.212 1.00 32.22 C ATOM 1351 OE1 GLU A 93 5.468 21.462 -13.199 1.00 41.21 O ATOM 1352 OE2 GLU A 93 5.860 22.484 -11.293 1.00 53.11 O ATOM 0 H GLU A 93 10.095 21.379 -11.193 1.00 33.23 H new ATOM 0 HA GLU A 93 9.932 23.189 -13.420 1.00 52.43 H new ATOM 0 HB2 GLU A 93 8.006 21.893 -14.025 1.00 51.52 H new ATOM 0 HB3 GLU A 93 9.219 20.776 -13.433 1.00 51.52 H new ATOM 0 HG2 GLU A 93 7.420 19.955 -12.291 1.00 52.43 H new ATOM 0 HG3 GLU A 93 7.945 21.147 -11.118 1.00 52.43 H new ATOM 1359 N ALA A 94 8.548 24.059 -10.727 1.00 1.05 N ATOM 1360 CA ALA A 94 7.720 25.055 -10.058 1.00 40.34 C ATOM 1361 C ALA A 94 8.086 26.465 -10.510 1.00 12.21 C ATOM 1362 O ALA A 94 7.227 27.227 -10.956 1.00 32.45 O ATOM 1363 CB ALA A 94 7.858 24.930 -8.548 1.00 64.04 C ATOM 0 H ALA A 94 9.205 23.577 -10.114 1.00 1.05 H new ATOM 0 HA ALA A 94 6.681 24.871 -10.332 1.00 40.34 H new ATOM 0 HB1 ALA A 94 7.234 25.680 -8.062 1.00 64.04 H new ATOM 0 HB2 ALA A 94 7.540 23.936 -8.235 1.00 64.04 H new ATOM 0 HB3 ALA A 94 8.899 25.085 -8.264 1.00 64.04 H new ATOM 1369 N ILE A 95 9.364 26.806 -10.391 1.00 4.41 N ATOM 1370 CA ILE A 95 9.843 28.125 -10.787 1.00 73.04 C ATOM 1371 C ILE A 95 9.522 28.409 -12.251 1.00 64.21 C ATOM 1372 O ILE A 95 9.298 29.556 -12.637 1.00 14.13 O ATOM 1373 CB ILE A 95 11.361 28.262 -10.570 1.00 62.10 C ATOM 1374 CG1 ILE A 95 12.119 27.310 -11.497 1.00 61.44 C ATOM 1375 CG2 ILE A 95 11.715 27.987 -9.116 1.00 40.31 C ATOM 1376 CD1 ILE A 95 12.531 27.943 -12.808 1.00 72.30 C ATOM 0 H ILE A 95 10.087 26.187 -10.024 1.00 4.41 H new ATOM 0 HA ILE A 95 9.328 28.850 -10.157 1.00 73.04 H new ATOM 0 HB ILE A 95 11.656 29.284 -10.809 1.00 62.10 H new ATOM 0 HG12 ILE A 95 13.009 26.947 -10.983 1.00 61.44 H new ATOM 0 HG13 ILE A 95 11.493 26.442 -11.703 1.00 61.44 H new ATOM 0 HG21 ILE A 95 12.792 28.088 -8.978 1.00 40.31 H new ATOM 0 HG22 ILE A 95 11.199 28.701 -8.474 1.00 40.31 H new ATOM 0 HG23 ILE A 95 11.409 26.975 -8.852 1.00 40.31 H new ATOM 0 HD11 ILE A 95 13.064 27.210 -13.414 1.00 72.30 H new ATOM 0 HD12 ILE A 95 11.644 28.281 -13.343 1.00 72.30 H new ATOM 0 HD13 ILE A 95 13.183 28.794 -12.612 1.00 72.30 H new ATOM 1388 N ARG A 96 9.502 27.356 -13.061 1.00 73.45 N ATOM 1389 CA ARG A 96 9.208 27.491 -14.483 1.00 40.21 C ATOM 1390 C ARG A 96 7.768 27.947 -14.700 1.00 1.43 C ATOM 1391 O ARG A 96 7.437 28.518 -15.739 1.00 41.20 O ATOM 1392 CB ARG A 96 9.448 26.163 -15.204 1.00 54.40 C ATOM 1393 CG ARG A 96 9.066 26.192 -16.675 1.00 64.31 C ATOM 1394 CD ARG A 96 9.305 24.844 -17.338 1.00 52.23 C ATOM 1395 NE ARG A 96 9.493 24.970 -18.781 1.00 70.11 N ATOM 1396 CZ ARG A 96 10.630 25.365 -19.342 1.00 42.22 C ATOM 1397 NH1 ARG A 96 11.675 25.671 -18.586 1.00 3.12 N ATOM 1398 NH2 ARG A 96 10.724 25.455 -20.663 1.00 30.32 N ATOM 0 H ARG A 96 9.686 26.400 -12.757 1.00 73.45 H new ATOM 0 HA ARG A 96 9.876 28.247 -14.896 1.00 40.21 H new ATOM 0 HB2 ARG A 96 10.501 25.896 -15.116 1.00 54.40 H new ATOM 0 HB3 ARG A 96 8.878 25.380 -14.704 1.00 54.40 H new ATOM 0 HG2 ARG A 96 8.016 26.467 -16.774 1.00 64.31 H new ATOM 0 HG3 ARG A 96 9.646 26.959 -17.188 1.00 64.31 H new ATOM 0 HD2 ARG A 96 10.184 24.374 -16.897 1.00 52.23 H new ATOM 0 HD3 ARG A 96 8.459 24.187 -17.139 1.00 52.23 H new ATOM 0 HE ARG A 96 8.708 24.742 -19.391 1.00 70.11 H new ATOM 0 HH11 ARG A 96 11.607 25.603 -17.571 1.00 3.12 H new ATOM 0 HH12 ARG A 96 12.547 25.974 -19.020 1.00 3.12 H new ATOM 0 HH21 ARG A 96 9.922 25.221 -21.248 1.00 30.32 H new ATOM 0 HH22 ARG A 96 11.598 25.759 -21.093 1.00 30.32 H new ATOM 1412 N ARG A 97 6.917 27.691 -13.712 1.00 13.11 N ATOM 1413 CA ARG A 97 5.512 28.074 -13.795 1.00 64.42 C ATOM 1414 C ARG A 97 5.264 29.393 -13.070 1.00 44.23 C ATOM 1415 O ARG A 97 4.392 30.170 -13.456 1.00 15.10 O ATOM 1416 CB ARG A 97 4.627 26.978 -13.199 1.00 20.30 C ATOM 1417 CG ARG A 97 3.358 26.719 -13.995 1.00 2.50 C ATOM 1418 CD ARG A 97 2.783 25.344 -13.696 1.00 64.31 C ATOM 1419 NE ARG A 97 1.977 24.835 -14.803 1.00 2.24 N ATOM 1420 CZ ARG A 97 0.724 25.210 -15.032 1.00 13.33 C ATOM 1421 NH1 ARG A 97 0.136 26.093 -14.236 1.00 23.15 N ATOM 1422 NH2 ARG A 97 0.055 24.703 -16.059 1.00 62.44 N ATOM 0 H ARG A 97 7.175 27.220 -12.845 1.00 13.11 H new ATOM 0 HA ARG A 97 5.259 28.205 -14.847 1.00 64.42 H new ATOM 0 HB2 ARG A 97 5.201 26.054 -13.136 1.00 20.30 H new ATOM 0 HB3 ARG A 97 4.356 27.255 -12.180 1.00 20.30 H new ATOM 0 HG2 ARG A 97 2.617 27.483 -13.759 1.00 2.50 H new ATOM 0 HG3 ARG A 97 3.573 26.801 -15.061 1.00 2.50 H new ATOM 0 HD2 ARG A 97 3.596 24.648 -13.490 1.00 64.31 H new ATOM 0 HD3 ARG A 97 2.171 25.395 -12.795 1.00 64.31 H new ATOM 0 HE ARG A 97 2.400 24.155 -15.434 1.00 2.24 H new ATOM 0 HH11 ARG A 97 0.646 26.486 -13.445 1.00 23.15 H new ATOM 0 HH12 ARG A 97 -0.827 26.379 -14.415 1.00 23.15 H new ATOM 0 HH21 ARG A 97 0.503 24.024 -16.674 1.00 62.44 H new ATOM 0 HH22 ARG A 97 -0.907 24.992 -16.233 1.00 62.44 H new ATOM 1436 N ALA A 98 6.038 29.639 -12.018 1.00 21.20 N ATOM 1437 CA ALA A 98 5.904 30.864 -11.240 1.00 54.23 C ATOM 1438 C ALA A 98 6.467 32.061 -11.999 1.00 74.24 C ATOM 1439 O ALA A 98 5.825 33.107 -12.092 1.00 0.33 O ATOM 1440 CB ALA A 98 6.599 30.715 -9.895 1.00 64.15 C ATOM 0 H ALA A 98 6.765 29.006 -11.685 1.00 21.20 H new ATOM 0 HA ALA A 98 4.842 31.042 -11.070 1.00 54.23 H new ATOM 0 HB1 ALA A 98 6.490 31.638 -9.325 1.00 64.15 H new ATOM 0 HB2 ALA A 98 6.148 29.892 -9.342 1.00 64.15 H new ATOM 0 HB3 ALA A 98 7.658 30.509 -10.053 1.00 64.15 H new ATOM 1446 N SER A 99 7.670 31.899 -12.541 1.00 13.41 N ATOM 1447 CA SER A 99 8.321 32.969 -13.288 1.00 62.45 C ATOM 1448 C SER A 99 7.642 33.180 -14.638 1.00 72.11 C ATOM 1449 O SER A 99 7.870 34.185 -15.309 1.00 42.15 O ATOM 1450 CB SER A 99 9.802 32.646 -13.495 1.00 63.13 C ATOM 1451 OG SER A 99 10.430 33.627 -14.302 1.00 43.12 O ATOM 0 H SER A 99 8.213 31.038 -12.477 1.00 13.41 H new ATOM 0 HA SER A 99 8.234 33.888 -12.709 1.00 62.45 H new ATOM 0 HB2 SER A 99 10.304 32.590 -12.529 1.00 63.13 H new ATOM 0 HB3 SER A 99 9.902 31.667 -13.963 1.00 63.13 H new ATOM 0 HG SER A 99 9.761 34.054 -14.877 1.00 43.12 H new ATOM 1457 N ASN A 100 6.805 32.224 -15.028 1.00 63.45 N ATOM 1458 CA ASN A 100 6.092 32.303 -16.298 1.00 43.52 C ATOM 1459 C ASN A 100 5.139 33.494 -16.313 1.00 12.44 C ATOM 1460 O ASN A 100 4.862 34.069 -17.365 1.00 23.02 O ATOM 1461 CB ASN A 100 5.315 31.010 -16.553 1.00 11.45 C ATOM 1462 CG ASN A 100 5.028 30.789 -18.025 1.00 31.50 C ATOM 1463 OD1 ASN A 100 5.277 31.662 -18.856 1.00 1.11 O ATOM 1464 ND2 ASN A 100 4.501 29.615 -18.355 1.00 13.15 N ATOM 0 H ASN A 100 6.604 31.386 -14.483 1.00 63.45 H new ATOM 0 HA ASN A 100 6.827 32.438 -17.091 1.00 43.52 H new ATOM 0 HB2 ASN A 100 5.884 30.165 -16.166 1.00 11.45 H new ATOM 0 HB3 ASN A 100 4.375 31.040 -16.003 1.00 11.45 H new ATOM 0 HD21 ASN A 100 4.286 29.408 -19.331 1.00 13.15 H new ATOM 0 HD22 ASN A 100 4.311 28.920 -17.633 1.00 13.15 H new