USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=14 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 116:sc= 0.183 USER MOD Single : A 31 TYR OH : rot 152:sc= -0.686 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 80:sc= -0.509 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -175:sc= -0.0186 (180deg=-0.0715) USER MOD Single : A 51 GLN : amide:sc= -2.56 X(o=-2.6,f=-2.4) USER MOD Single : A 52 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0183 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -4.66! K(o=-4.7!,f=-0.01) USER MOD Single : A 74 GLN : amide:sc= -0.282 X(o=-0.28,f=0) USER MOD Single : A 78 SER OG : rot 169:sc= -3.05! USER MOD Single : A 79 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.081) USER MOD Single : A 82 ASN : amide:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00109) USER MOD Single : A 99 SER OG : rot -168:sc= 0.189 USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0.32) USER MOD ----------------------------------------------------------------- ATOM 246 N GLU A 20 17.535 28.268 -17.562 1.00 74.50 N ATOM 247 CA GLU A 20 16.936 28.421 -16.241 1.00 63.31 C ATOM 248 C GLU A 20 15.781 29.417 -16.279 1.00 72.33 C ATOM 249 O GLU A 20 15.864 30.523 -15.746 1.00 40.32 O ATOM 250 CB GLU A 20 17.989 28.882 -15.231 1.00 15.14 C ATOM 251 CG GLU A 20 19.059 29.777 -15.832 1.00 61.12 C ATOM 252 CD GLU A 20 18.478 30.970 -16.565 1.00 53.31 C ATOM 253 OE1 GLU A 20 18.182 31.987 -15.903 1.00 50.15 O ATOM 254 OE2 GLU A 20 18.319 30.887 -17.801 1.00 73.21 O ATOM 0 HA GLU A 20 16.546 27.451 -15.932 1.00 63.31 H new ATOM 0 HB2 GLU A 20 17.493 29.417 -14.421 1.00 15.14 H new ATOM 0 HB3 GLU A 20 18.465 28.006 -14.790 1.00 15.14 H new ATOM 0 HG2 GLU A 20 19.720 30.129 -15.040 1.00 61.12 H new ATOM 0 HG3 GLU A 20 19.670 29.194 -16.521 1.00 61.12 H new ATOM 261 N PRO A 21 14.676 29.016 -16.926 1.00 31.14 N ATOM 262 CA PRO A 21 13.482 29.858 -17.050 1.00 22.34 C ATOM 263 C PRO A 21 12.758 30.036 -15.720 1.00 10.04 C ATOM 264 O PRO A 21 12.165 31.082 -15.460 1.00 53.11 O ATOM 265 CB PRO A 21 12.604 29.085 -18.037 1.00 63.21 C ATOM 266 CG PRO A 21 13.037 27.666 -17.898 1.00 52.05 C ATOM 267 CD PRO A 21 14.507 27.710 -17.585 1.00 12.03 C ATOM 0 HA PRO A 21 13.728 30.868 -17.377 1.00 22.34 H new ATOM 0 HB2 PRO A 21 11.546 29.201 -17.801 1.00 63.21 H new ATOM 0 HB3 PRO A 21 12.744 29.444 -19.057 1.00 63.21 H new ATOM 0 HG2 PRO A 21 12.484 27.165 -17.103 1.00 52.05 H new ATOM 0 HG3 PRO A 21 12.850 27.109 -18.816 1.00 52.05 H new ATOM 0 HD2 PRO A 21 14.804 26.889 -16.932 1.00 12.03 H new ATOM 0 HD3 PRO A 21 15.113 27.634 -18.488 1.00 12.03 H new ATOM 275 N GLY A 22 12.811 29.007 -14.879 1.00 61.02 N ATOM 276 CA GLY A 22 12.156 29.071 -13.586 1.00 1.03 C ATOM 277 C GLY A 22 12.700 30.186 -12.715 1.00 25.12 C ATOM 278 O GLY A 22 12.073 30.576 -11.730 1.00 50.55 O ATOM 0 H GLY A 22 13.296 28.130 -15.071 1.00 61.02 H new ATOM 0 HA2 GLY A 22 11.086 29.217 -13.731 1.00 1.03 H new ATOM 0 HA3 GLY A 22 12.281 28.118 -13.071 1.00 1.03 H new ATOM 282 N SER A 23 13.872 30.699 -13.076 1.00 63.42 N ATOM 283 CA SER A 23 14.504 31.772 -12.317 1.00 70.42 C ATOM 284 C SER A 23 13.522 32.912 -12.069 1.00 51.51 C ATOM 285 O SER A 23 12.800 33.333 -12.972 1.00 61.34 O ATOM 286 CB SER A 23 15.734 32.295 -13.061 1.00 2.12 C ATOM 287 OG SER A 23 16.648 31.248 -13.336 1.00 22.54 O ATOM 0 H SER A 23 14.403 30.389 -13.890 1.00 63.42 H new ATOM 0 HA SER A 23 14.816 31.368 -11.354 1.00 70.42 H new ATOM 0 HB2 SER A 23 15.425 32.766 -13.994 1.00 2.12 H new ATOM 0 HB3 SER A 23 16.225 33.063 -12.463 1.00 2.12 H new ATOM 0 HG SER A 23 16.723 31.126 -14.305 1.00 22.54 H new ATOM 293 N GLY A 24 13.501 33.410 -10.836 1.00 62.21 N ATOM 294 CA GLY A 24 12.605 34.497 -10.490 1.00 13.13 C ATOM 295 C GLY A 24 11.747 34.179 -9.281 1.00 60.22 C ATOM 296 O GLY A 24 10.622 34.665 -9.164 1.00 20.23 O ATOM 0 H GLY A 24 14.089 33.079 -10.071 1.00 62.21 H new ATOM 0 HA2 GLY A 24 13.189 35.396 -10.291 1.00 13.13 H new ATOM 0 HA3 GLY A 24 11.961 34.717 -11.341 1.00 13.13 H new ATOM 300 N VAL A 25 12.278 33.358 -8.380 1.00 40.50 N ATOM 301 CA VAL A 25 11.553 32.975 -7.174 1.00 63.14 C ATOM 302 C VAL A 25 12.500 32.822 -5.989 1.00 61.14 C ATOM 303 O VAL A 25 13.702 32.620 -6.164 1.00 50.21 O ATOM 304 CB VAL A 25 10.785 31.656 -7.377 1.00 71.53 C ATOM 305 CG1 VAL A 25 9.793 31.436 -6.245 1.00 71.34 C ATOM 306 CG2 VAL A 25 10.079 31.653 -8.725 1.00 35.45 C ATOM 0 H VAL A 25 13.207 32.946 -8.462 1.00 40.50 H new ATOM 0 HA VAL A 25 10.841 33.773 -6.965 1.00 63.14 H new ATOM 0 HB VAL A 25 11.500 30.833 -7.366 1.00 71.53 H new ATOM 0 HG11 VAL A 25 9.260 30.499 -6.406 1.00 71.34 H new ATOM 0 HG12 VAL A 25 10.328 31.391 -5.296 1.00 71.34 H new ATOM 0 HG13 VAL A 25 9.080 32.260 -6.221 1.00 71.34 H new ATOM 0 HG21 VAL A 25 9.541 30.713 -8.852 1.00 35.45 H new ATOM 0 HG22 VAL A 25 9.374 32.483 -8.768 1.00 35.45 H new ATOM 0 HG23 VAL A 25 10.815 31.760 -9.522 1.00 35.45 H new ATOM 316 N ARG A 26 11.950 32.919 -4.783 1.00 62.44 N ATOM 317 CA ARG A 26 12.746 32.792 -3.568 1.00 60.44 C ATOM 318 C ARG A 26 12.192 31.691 -2.668 1.00 63.24 C ATOM 319 O ARG A 26 11.379 31.951 -1.781 1.00 42.42 O ATOM 320 CB ARG A 26 12.773 34.120 -2.810 1.00 21.22 C ATOM 321 CG ARG A 26 13.702 34.115 -1.607 1.00 2.31 C ATOM 322 CD ARG A 26 13.029 34.713 -0.381 1.00 63.30 C ATOM 323 NE ARG A 26 12.769 36.141 -0.541 1.00 21.22 N ATOM 324 CZ ARG A 26 13.724 37.064 -0.561 1.00 70.05 C ATOM 325 NH1 ARG A 26 14.995 36.710 -0.434 1.00 4.44 N ATOM 326 NH2 ARG A 26 13.408 38.344 -0.711 1.00 11.02 N ATOM 0 H ARG A 26 10.957 33.085 -4.621 1.00 62.44 H new ATOM 0 HA ARG A 26 13.763 32.525 -3.856 1.00 60.44 H new ATOM 0 HB2 ARG A 26 13.080 34.912 -3.493 1.00 21.22 H new ATOM 0 HB3 ARG A 26 11.763 34.360 -2.478 1.00 21.22 H new ATOM 0 HG2 ARG A 26 14.013 33.093 -1.390 1.00 2.31 H new ATOM 0 HG3 ARG A 26 14.604 34.680 -1.840 1.00 2.31 H new ATOM 0 HD2 ARG A 26 12.090 34.192 -0.193 1.00 63.30 H new ATOM 0 HD3 ARG A 26 13.661 34.555 0.493 1.00 63.30 H new ATOM 0 HE ARG A 26 11.801 36.446 -0.643 1.00 21.22 H new ATOM 0 HH11 ARG A 26 15.242 35.727 -0.321 1.00 4.44 H new ATOM 0 HH12 ARG A 26 15.726 37.421 -0.450 1.00 4.44 H new ATOM 0 HH21 ARG A 26 12.431 38.620 -0.811 1.00 11.02 H new ATOM 0 HH22 ARG A 26 14.142 39.052 -0.726 1.00 11.02 H new ATOM 340 N ILE A 27 12.638 30.461 -2.904 1.00 12.31 N ATOM 341 CA ILE A 27 12.187 29.322 -2.114 1.00 63.25 C ATOM 342 C ILE A 27 12.803 29.341 -0.720 1.00 2.54 C ATOM 343 O ILE A 27 13.954 29.742 -0.543 1.00 13.32 O ATOM 344 CB ILE A 27 12.538 27.988 -2.800 1.00 5.03 C ATOM 345 CG1 ILE A 27 12.034 27.983 -4.244 1.00 53.31 C ATOM 346 CG2 ILE A 27 11.947 26.821 -2.022 1.00 43.54 C ATOM 347 CD1 ILE A 27 12.563 26.829 -5.065 1.00 61.54 C ATOM 0 H ILE A 27 13.310 30.228 -3.635 1.00 12.31 H new ATOM 0 HA ILE A 27 11.103 29.405 -2.030 1.00 63.25 H new ATOM 0 HB ILE A 27 13.622 27.878 -2.814 1.00 5.03 H new ATOM 0 HG12 ILE A 27 10.945 27.946 -4.240 1.00 53.31 H new ATOM 0 HG13 ILE A 27 12.319 28.920 -4.723 1.00 53.31 H new ATOM 0 HG21 ILE A 27 12.203 25.885 -2.519 1.00 43.54 H new ATOM 0 HG22 ILE A 27 12.351 26.817 -1.010 1.00 43.54 H new ATOM 0 HG23 ILE A 27 10.863 26.924 -1.980 1.00 43.54 H new ATOM 0 HD11 ILE A 27 12.164 26.890 -6.078 1.00 61.54 H new ATOM 0 HD12 ILE A 27 13.651 26.876 -5.100 1.00 61.54 H new ATOM 0 HD13 ILE A 27 12.256 25.888 -4.610 1.00 61.54 H new ATOM 359 N VAL A 28 12.030 28.904 0.269 1.00 12.11 N ATOM 360 CA VAL A 28 12.500 28.868 1.649 1.00 52.42 C ATOM 361 C VAL A 28 11.815 27.755 2.434 1.00 0.40 C ATOM 362 O VAL A 28 10.704 27.928 2.936 1.00 24.14 O ATOM 363 CB VAL A 28 12.252 30.211 2.361 1.00 2.41 C ATOM 364 CG1 VAL A 28 12.695 30.135 3.814 1.00 31.13 C ATOM 365 CG2 VAL A 28 12.970 31.339 1.635 1.00 0.22 C ATOM 0 H VAL A 28 11.075 28.570 0.140 1.00 12.11 H new ATOM 0 HA VAL A 28 13.572 28.676 1.613 1.00 52.42 H new ATOM 0 HB VAL A 28 11.182 30.420 2.343 1.00 2.41 H new ATOM 0 HG11 VAL A 28 12.512 31.093 4.301 1.00 31.13 H new ATOM 0 HG12 VAL A 28 12.132 29.355 4.326 1.00 31.13 H new ATOM 0 HG13 VAL A 28 13.759 29.903 3.858 1.00 31.13 H new ATOM 0 HG21 VAL A 28 12.784 32.281 2.152 1.00 0.22 H new ATOM 0 HG22 VAL A 28 14.041 31.139 1.621 1.00 0.22 H new ATOM 0 HG23 VAL A 28 12.600 31.407 0.612 1.00 0.22 H new ATOM 375 N VAL A 29 12.485 26.612 2.537 1.00 44.14 N ATOM 376 CA VAL A 29 11.943 25.470 3.262 1.00 14.04 C ATOM 377 C VAL A 29 12.042 25.679 4.769 1.00 22.22 C ATOM 378 O VAL A 29 13.123 25.580 5.349 1.00 41.22 O ATOM 379 CB VAL A 29 12.673 24.167 2.886 1.00 2.32 C ATOM 380 CG1 VAL A 29 11.981 22.967 3.513 1.00 72.41 C ATOM 381 CG2 VAL A 29 12.752 24.019 1.374 1.00 20.44 C ATOM 0 H VAL A 29 13.405 26.452 2.127 1.00 44.14 H new ATOM 0 HA VAL A 29 10.894 25.384 2.978 1.00 14.04 H new ATOM 0 HB VAL A 29 13.689 24.214 3.277 1.00 2.32 H new ATOM 0 HG11 VAL A 29 12.511 22.056 3.236 1.00 72.41 H new ATOM 0 HG12 VAL A 29 11.982 23.072 4.598 1.00 72.41 H new ATOM 0 HG13 VAL A 29 10.953 22.912 3.155 1.00 72.41 H new ATOM 0 HG21 VAL A 29 13.271 23.093 1.126 1.00 20.44 H new ATOM 0 HG22 VAL A 29 11.745 23.994 0.958 1.00 20.44 H new ATOM 0 HG23 VAL A 29 13.297 24.864 0.954 1.00 20.44 H new ATOM 391 N GLU A 30 10.907 25.967 5.398 1.00 53.24 N ATOM 392 CA GLU A 30 10.867 26.190 6.838 1.00 11.20 C ATOM 393 C GLU A 30 10.667 24.876 7.587 1.00 71.42 C ATOM 394 O GLU A 30 9.575 24.306 7.582 1.00 24.11 O ATOM 395 CB GLU A 30 9.746 27.168 7.194 1.00 14.43 C ATOM 396 CG GLU A 30 9.974 27.906 8.503 1.00 44.33 C ATOM 397 CD GLU A 30 8.752 28.681 8.957 1.00 24.53 C ATOM 398 OE1 GLU A 30 7.625 28.256 8.627 1.00 42.34 O ATOM 399 OE2 GLU A 30 8.923 29.710 9.643 1.00 32.00 O ATOM 0 H GLU A 30 10.003 26.051 4.933 1.00 53.24 H new ATOM 0 HA GLU A 30 11.823 26.618 7.140 1.00 11.20 H new ATOM 0 HB2 GLU A 30 9.642 27.896 6.390 1.00 14.43 H new ATOM 0 HB3 GLU A 30 8.804 26.622 7.254 1.00 14.43 H new ATOM 0 HG2 GLU A 30 10.253 27.190 9.276 1.00 44.33 H new ATOM 0 HG3 GLU A 30 10.813 28.593 8.387 1.00 44.33 H new ATOM 406 N TYR A 31 11.728 24.400 8.228 1.00 22.14 N ATOM 407 CA TYR A 31 11.671 23.151 8.979 1.00 2.32 C ATOM 408 C TYR A 31 12.524 23.235 10.242 1.00 54.33 C ATOM 409 O TYR A 31 13.395 24.097 10.361 1.00 52.32 O ATOM 410 CB TYR A 31 12.144 21.986 8.108 1.00 35.02 C ATOM 411 CG TYR A 31 13.609 22.058 7.743 1.00 51.45 C ATOM 412 CD1 TYR A 31 14.587 21.613 8.623 1.00 63.22 C ATOM 413 CD2 TYR A 31 14.015 22.573 6.518 1.00 41.13 C ATOM 414 CE1 TYR A 31 15.927 21.678 8.294 1.00 65.45 C ATOM 415 CE2 TYR A 31 15.353 22.640 6.179 1.00 13.44 C ATOM 416 CZ TYR A 31 16.305 22.192 7.071 1.00 60.44 C ATOM 417 OH TYR A 31 17.639 22.258 6.738 1.00 54.21 O ATOM 0 H TYR A 31 12.638 24.860 8.243 1.00 22.14 H new ATOM 0 HA TYR A 31 10.635 22.980 9.272 1.00 2.32 H new ATOM 0 HB2 TYR A 31 11.955 21.050 8.634 1.00 35.02 H new ATOM 0 HB3 TYR A 31 11.551 21.963 7.194 1.00 35.02 H new ATOM 0 HD1 TYR A 31 14.295 21.209 9.581 1.00 63.22 H new ATOM 0 HD2 TYR A 31 13.272 22.927 5.819 1.00 41.13 H new ATOM 0 HE1 TYR A 31 16.675 21.328 8.991 1.00 65.45 H new ATOM 0 HE2 TYR A 31 15.651 23.041 5.222 1.00 13.44 H new ATOM 0 HH TYR A 31 17.736 22.204 5.764 1.00 54.21 H new ATOM 427 N CYS A 32 12.266 22.333 11.183 1.00 62.05 N ATOM 428 CA CYS A 32 13.008 22.303 12.437 1.00 21.41 C ATOM 429 C CYS A 32 14.433 21.803 12.214 1.00 11.54 C ATOM 430 O CYS A 32 14.658 20.611 12.011 1.00 23.05 O ATOM 431 CB CYS A 32 12.296 21.408 13.454 1.00 53.24 C ATOM 432 SG CYS A 32 13.277 21.051 14.946 1.00 11.55 S ATOM 0 H CYS A 32 11.548 21.613 11.100 1.00 62.05 H new ATOM 0 HA CYS A 32 13.055 23.320 12.827 1.00 21.41 H new ATOM 0 HB2 CYS A 32 11.363 21.886 13.752 1.00 53.24 H new ATOM 0 HB3 CYS A 32 12.032 20.467 12.972 1.00 53.24 H new ATOM 437 N GLU A 33 15.390 22.725 12.255 1.00 40.25 N ATOM 438 CA GLU A 33 16.792 22.378 12.057 1.00 44.34 C ATOM 439 C GLU A 33 17.235 21.310 13.053 1.00 54.32 C ATOM 440 O GLU A 33 17.622 20.202 12.682 1.00 33.11 O ATOM 441 CB GLU A 33 17.673 23.621 12.200 1.00 4.11 C ATOM 442 CG GLU A 33 18.194 24.154 10.876 1.00 43.10 C ATOM 443 CD GLU A 33 19.340 25.132 11.051 1.00 54.41 C ATOM 444 OE1 GLU A 33 19.903 25.193 12.164 1.00 35.12 O ATOM 445 OE2 GLU A 33 19.673 25.837 10.076 1.00 52.34 O ATOM 0 H GLU A 33 15.220 23.717 12.423 1.00 40.25 H new ATOM 0 HA GLU A 33 16.901 21.977 11.049 1.00 44.34 H new ATOM 0 HB2 GLU A 33 17.103 24.405 12.698 1.00 4.11 H new ATOM 0 HB3 GLU A 33 18.519 23.384 12.845 1.00 4.11 H new ATOM 0 HG2 GLU A 33 18.525 23.320 10.258 1.00 43.10 H new ATOM 0 HG3 GLU A 33 17.381 24.645 10.341 1.00 43.10 H new ATOM 452 N PRO A 34 17.177 21.651 14.349 1.00 73.41 N ATOM 453 CA PRO A 34 17.567 20.736 15.426 1.00 70.43 C ATOM 454 C PRO A 34 16.588 19.577 15.585 1.00 4.12 C ATOM 455 O PRO A 34 15.997 19.393 16.649 1.00 32.43 O ATOM 456 CB PRO A 34 17.549 21.626 16.671 1.00 25.41 C ATOM 457 CG PRO A 34 16.592 22.719 16.342 1.00 21.42 C ATOM 458 CD PRO A 34 16.725 22.954 14.863 1.00 2.51 C ATOM 0 HA PRO A 34 18.532 20.268 15.234 1.00 70.43 H new ATOM 0 HB2 PRO A 34 17.227 21.069 17.551 1.00 25.41 H new ATOM 0 HB3 PRO A 34 18.541 22.021 16.890 1.00 25.41 H new ATOM 0 HG2 PRO A 34 15.572 22.436 16.602 1.00 21.42 H new ATOM 0 HG3 PRO A 34 16.825 23.624 16.903 1.00 21.42 H new ATOM 0 HD2 PRO A 34 15.777 23.255 14.417 1.00 2.51 H new ATOM 0 HD3 PRO A 34 17.444 23.743 14.645 1.00 2.51 H new ATOM 466 N CYS A 35 16.422 18.798 14.521 1.00 5.24 N ATOM 467 CA CYS A 35 15.516 17.657 14.543 1.00 73.13 C ATOM 468 C CYS A 35 16.024 16.541 13.634 1.00 51.30 C ATOM 469 O CYS A 35 16.016 15.369 14.008 1.00 4.43 O ATOM 470 CB CYS A 35 14.113 18.085 14.107 1.00 10.22 C ATOM 471 SG CYS A 35 13.184 18.995 15.383 1.00 74.11 S ATOM 0 H CYS A 35 16.904 18.937 13.633 1.00 5.24 H new ATOM 0 HA CYS A 35 15.473 17.279 15.564 1.00 73.13 H new ATOM 0 HB2 CYS A 35 14.195 18.710 13.218 1.00 10.22 H new ATOM 0 HB3 CYS A 35 13.546 17.199 13.823 1.00 10.22 H new ATOM 476 N GLY A 36 16.466 16.915 12.437 1.00 54.51 N ATOM 477 CA GLY A 36 16.971 15.936 11.493 1.00 24.33 C ATOM 478 C GLY A 36 16.251 15.988 10.161 1.00 50.43 C ATOM 479 O GLY A 36 16.448 15.125 9.306 1.00 61.14 O ATOM 0 H GLY A 36 16.483 17.879 12.104 1.00 54.51 H new ATOM 0 HA2 GLY A 36 18.036 16.106 11.333 1.00 24.33 H new ATOM 0 HA3 GLY A 36 16.868 14.938 11.919 1.00 24.33 H new ATOM 483 N PHE A 37 15.412 17.004 9.983 1.00 31.52 N ATOM 484 CA PHE A 37 14.657 17.164 8.746 1.00 40.11 C ATOM 485 C PHE A 37 15.540 17.736 7.641 1.00 52.05 C ATOM 486 O PHE A 37 15.196 17.669 6.461 1.00 12.40 O ATOM 487 CB PHE A 37 13.451 18.077 8.974 1.00 14.14 C ATOM 488 CG PHE A 37 12.355 17.434 9.776 1.00 25.13 C ATOM 489 CD1 PHE A 37 11.543 16.464 9.211 1.00 23.13 C ATOM 490 CD2 PHE A 37 12.139 17.799 11.095 1.00 34.12 C ATOM 491 CE1 PHE A 37 10.534 15.871 9.947 1.00 44.32 C ATOM 492 CE2 PHE A 37 11.131 17.209 11.836 1.00 44.32 C ATOM 493 CZ PHE A 37 10.329 16.243 11.261 1.00 50.50 C ATOM 0 H PHE A 37 15.238 17.728 10.680 1.00 31.52 H new ATOM 0 HA PHE A 37 14.305 16.180 8.434 1.00 40.11 H new ATOM 0 HB2 PHE A 37 13.782 18.981 9.485 1.00 14.14 H new ATOM 0 HB3 PHE A 37 13.051 18.385 8.008 1.00 14.14 H new ATOM 0 HD1 PHE A 37 11.700 16.168 8.184 1.00 23.13 H new ATOM 0 HD2 PHE A 37 12.765 18.553 11.550 1.00 34.12 H new ATOM 0 HE1 PHE A 37 9.907 15.117 9.495 1.00 44.32 H new ATOM 0 HE2 PHE A 37 10.971 17.503 12.863 1.00 44.32 H new ATOM 0 HZ PHE A 37 9.543 15.779 11.838 1.00 50.50 H new ATOM 503 N GLU A 38 16.679 18.298 8.032 1.00 11.34 N ATOM 504 CA GLU A 38 17.610 18.883 7.075 1.00 43.20 C ATOM 505 C GLU A 38 18.177 17.814 6.145 1.00 5.41 C ATOM 506 O GLU A 38 18.463 18.080 4.978 1.00 53.11 O ATOM 507 CB GLU A 38 18.750 19.594 7.808 1.00 51.44 C ATOM 508 CG GLU A 38 19.753 20.256 6.877 1.00 34.10 C ATOM 509 CD GLU A 38 20.380 21.497 7.482 1.00 30.54 C ATOM 510 OE1 GLU A 38 20.884 21.411 8.621 1.00 4.55 O ATOM 511 OE2 GLU A 38 20.367 22.553 6.816 1.00 35.20 O ATOM 0 H GLU A 38 16.979 18.361 9.005 1.00 11.34 H new ATOM 0 HA GLU A 38 17.064 19.611 6.474 1.00 43.20 H new ATOM 0 HB2 GLU A 38 18.329 20.350 8.471 1.00 51.44 H new ATOM 0 HB3 GLU A 38 19.272 18.873 8.437 1.00 51.44 H new ATOM 0 HG2 GLU A 38 20.538 19.542 6.628 1.00 34.10 H new ATOM 0 HG3 GLU A 38 19.256 20.522 5.944 1.00 34.10 H new ATOM 518 N ALA A 39 18.339 16.605 6.672 1.00 14.01 N ATOM 519 CA ALA A 39 18.870 15.496 5.890 1.00 30.42 C ATOM 520 C ALA A 39 18.109 15.334 4.579 1.00 51.23 C ATOM 521 O ALA A 39 18.703 15.326 3.500 1.00 24.31 O ATOM 522 CB ALA A 39 18.814 14.207 6.697 1.00 23.10 C ATOM 0 H ALA A 39 18.110 16.369 7.637 1.00 14.01 H new ATOM 0 HA ALA A 39 19.910 15.718 5.651 1.00 30.42 H new ATOM 0 HB1 ALA A 39 19.214 13.387 6.101 1.00 23.10 H new ATOM 0 HB2 ALA A 39 19.408 14.319 7.604 1.00 23.10 H new ATOM 0 HB3 ALA A 39 17.780 13.990 6.965 1.00 23.10 H new ATOM 528 N THR A 40 16.789 15.205 4.677 1.00 3.34 N ATOM 529 CA THR A 40 15.947 15.042 3.499 1.00 1.13 C ATOM 530 C THR A 40 16.054 16.250 2.576 1.00 53.05 C ATOM 531 O THR A 40 16.193 16.104 1.361 1.00 41.41 O ATOM 532 CB THR A 40 14.471 14.836 3.888 1.00 11.32 C ATOM 533 OG1 THR A 40 14.329 13.633 4.652 1.00 54.23 O ATOM 534 CG2 THR A 40 13.590 14.764 2.650 1.00 1.30 C ATOM 0 H THR A 40 16.280 15.210 5.561 1.00 3.34 H new ATOM 0 HA THR A 40 16.304 14.155 2.975 1.00 1.13 H new ATOM 0 HB THR A 40 14.155 15.688 4.490 1.00 11.32 H new ATOM 0 HG1 THR A 40 13.388 13.510 4.897 1.00 54.23 H new ATOM 0 HG21 THR A 40 12.552 14.618 2.950 1.00 1.30 H new ATOM 0 HG22 THR A 40 13.678 15.693 2.086 1.00 1.30 H new ATOM 0 HG23 THR A 40 13.908 13.929 2.025 1.00 1.30 H new ATOM 542 N TYR A 41 15.988 17.442 3.158 1.00 21.12 N ATOM 543 CA TYR A 41 16.076 18.676 2.386 1.00 34.23 C ATOM 544 C TYR A 41 17.354 18.709 1.555 1.00 62.55 C ATOM 545 O TYR A 41 17.358 19.183 0.418 1.00 73.02 O ATOM 546 CB TYR A 41 16.028 19.889 3.317 1.00 62.30 C ATOM 547 CG TYR A 41 16.443 21.181 2.650 1.00 61.43 C ATOM 548 CD1 TYR A 41 15.730 21.688 1.570 1.00 32.15 C ATOM 549 CD2 TYR A 41 17.548 21.893 3.098 1.00 44.25 C ATOM 550 CE1 TYR A 41 16.105 22.867 0.957 1.00 4.41 C ATOM 551 CE2 TYR A 41 17.930 23.074 2.491 1.00 3.33 C ATOM 552 CZ TYR A 41 17.206 23.557 1.421 1.00 11.14 C ATOM 553 OH TYR A 41 17.584 24.733 0.814 1.00 61.51 O ATOM 0 H TYR A 41 15.874 17.580 4.162 1.00 21.12 H new ATOM 0 HA TYR A 41 15.223 18.712 1.708 1.00 34.23 H new ATOM 0 HB2 TYR A 41 15.015 19.999 3.705 1.00 62.30 H new ATOM 0 HB3 TYR A 41 16.679 19.706 4.172 1.00 62.30 H new ATOM 0 HD1 TYR A 41 14.868 21.150 1.204 1.00 32.15 H new ATOM 0 HD2 TYR A 41 18.118 21.517 3.935 1.00 44.25 H new ATOM 0 HE1 TYR A 41 15.540 23.247 0.119 1.00 4.41 H new ATOM 0 HE2 TYR A 41 18.791 23.616 2.853 1.00 3.33 H new ATOM 0 HH TYR A 41 17.018 25.465 1.137 1.00 61.51 H new ATOM 563 N LEU A 42 18.439 18.200 2.129 1.00 12.40 N ATOM 564 CA LEU A 42 19.725 18.170 1.442 1.00 64.30 C ATOM 565 C LEU A 42 19.826 16.952 0.528 1.00 11.35 C ATOM 566 O LEU A 42 20.592 16.949 -0.434 1.00 64.01 O ATOM 567 CB LEU A 42 20.868 18.155 2.459 1.00 63.55 C ATOM 568 CG LEU A 42 21.610 19.477 2.654 1.00 44.12 C ATOM 569 CD1 LEU A 42 20.690 20.520 3.270 1.00 63.42 C ATOM 570 CD2 LEU A 42 22.844 19.273 3.521 1.00 44.33 C ATOM 0 H LEU A 42 18.453 17.803 3.068 1.00 12.40 H new ATOM 0 HA LEU A 42 19.803 19.068 0.829 1.00 64.30 H new ATOM 0 HB2 LEU A 42 20.466 17.841 3.422 1.00 63.55 H new ATOM 0 HB3 LEU A 42 21.590 17.398 2.153 1.00 63.55 H new ATOM 0 HG LEU A 42 21.932 19.838 1.677 1.00 44.12 H new ATOM 0 HD11 LEU A 42 21.236 21.454 3.401 1.00 63.42 H new ATOM 0 HD12 LEU A 42 19.837 20.687 2.612 1.00 63.42 H new ATOM 0 HD13 LEU A 42 20.337 20.167 4.239 1.00 63.42 H new ATOM 0 HD21 LEU A 42 23.360 20.225 3.649 1.00 44.33 H new ATOM 0 HD22 LEU A 42 22.544 18.888 4.496 1.00 44.33 H new ATOM 0 HD23 LEU A 42 23.513 18.560 3.040 1.00 44.33 H new ATOM 582 N GLU A 43 19.045 15.922 0.836 1.00 31.55 N ATOM 583 CA GLU A 43 19.046 14.699 0.042 1.00 51.04 C ATOM 584 C GLU A 43 18.422 14.941 -1.330 1.00 2.31 C ATOM 585 O GLU A 43 18.609 14.153 -2.258 1.00 33.34 O ATOM 586 CB GLU A 43 18.285 13.589 0.771 1.00 45.51 C ATOM 587 CG GLU A 43 19.143 12.806 1.750 1.00 3.03 C ATOM 588 CD GLU A 43 18.321 11.922 2.668 1.00 24.10 C ATOM 589 OE1 GLU A 43 17.275 11.410 2.217 1.00 65.41 O ATOM 590 OE2 GLU A 43 18.723 11.742 3.836 1.00 4.44 O ATOM 0 H GLU A 43 18.404 15.910 1.629 1.00 31.55 H new ATOM 0 HA GLU A 43 20.081 14.388 -0.097 1.00 51.04 H new ATOM 0 HB2 GLU A 43 17.444 14.028 1.308 1.00 45.51 H new ATOM 0 HB3 GLU A 43 17.869 12.901 0.035 1.00 45.51 H new ATOM 0 HG2 GLU A 43 19.850 12.189 1.195 1.00 3.03 H new ATOM 0 HG3 GLU A 43 19.729 13.501 2.351 1.00 3.03 H new ATOM 597 N LEU A 44 17.681 16.037 -1.451 1.00 35.24 N ATOM 598 CA LEU A 44 17.028 16.384 -2.708 1.00 51.22 C ATOM 599 C LEU A 44 17.545 17.717 -3.240 1.00 15.33 C ATOM 600 O LEU A 44 17.565 17.949 -4.448 1.00 53.20 O ATOM 601 CB LEU A 44 15.512 16.451 -2.517 1.00 53.42 C ATOM 602 CG LEU A 44 15.017 17.351 -1.384 1.00 41.33 C ATOM 603 CD1 LEU A 44 14.731 18.752 -1.902 1.00 0.52 C ATOM 604 CD2 LEU A 44 13.776 16.757 -0.734 1.00 41.22 C ATOM 0 H LEU A 44 17.517 16.701 -0.694 1.00 35.24 H new ATOM 0 HA LEU A 44 17.262 15.608 -3.437 1.00 51.22 H new ATOM 0 HB2 LEU A 44 15.063 16.794 -3.449 1.00 53.42 H new ATOM 0 HB3 LEU A 44 15.143 15.441 -2.339 1.00 53.42 H new ATOM 0 HG LEU A 44 15.801 17.417 -0.630 1.00 41.33 H new ATOM 0 HD11 LEU A 44 14.380 19.378 -1.082 1.00 0.52 H new ATOM 0 HD12 LEU A 44 15.643 19.179 -2.320 1.00 0.52 H new ATOM 0 HD13 LEU A 44 13.965 18.704 -2.676 1.00 0.52 H new ATOM 0 HD21 LEU A 44 13.438 17.411 0.070 1.00 41.22 H new ATOM 0 HD22 LEU A 44 12.986 16.660 -1.479 1.00 41.22 H new ATOM 0 HD23 LEU A 44 14.014 15.774 -0.327 1.00 41.22 H new ATOM 616 N ALA A 45 17.963 18.589 -2.328 1.00 43.45 N ATOM 617 CA ALA A 45 18.484 19.897 -2.706 1.00 2.54 C ATOM 618 C ALA A 45 19.584 19.769 -3.754 1.00 23.12 C ATOM 619 O ALA A 45 19.649 20.554 -4.700 1.00 14.25 O ATOM 620 CB ALA A 45 19.004 20.632 -1.479 1.00 45.10 C ATOM 0 H ALA A 45 17.951 18.413 -1.323 1.00 43.45 H new ATOM 0 HA ALA A 45 17.668 20.473 -3.143 1.00 2.54 H new ATOM 0 HB1 ALA A 45 19.390 21.607 -1.776 1.00 45.10 H new ATOM 0 HB2 ALA A 45 18.192 20.765 -0.764 1.00 45.10 H new ATOM 0 HB3 ALA A 45 19.802 20.051 -1.018 1.00 45.10 H new ATOM 626 N SER A 46 20.449 18.774 -3.579 1.00 13.41 N ATOM 627 CA SER A 46 21.549 18.546 -4.508 1.00 4.03 C ATOM 628 C SER A 46 21.035 18.414 -5.938 1.00 32.11 C ATOM 629 O SER A 46 21.767 18.653 -6.897 1.00 45.13 O ATOM 630 CB SER A 46 22.324 17.287 -4.114 1.00 30.11 C ATOM 631 OG SER A 46 23.436 17.084 -4.969 1.00 0.14 O ATOM 0 H SER A 46 20.409 18.114 -2.803 1.00 13.41 H new ATOM 0 HA SER A 46 22.217 19.406 -4.459 1.00 4.03 H new ATOM 0 HB2 SER A 46 22.666 17.374 -3.083 1.00 30.11 H new ATOM 0 HB3 SER A 46 21.664 16.421 -4.159 1.00 30.11 H new ATOM 0 HG SER A 46 23.915 16.274 -4.695 1.00 0.14 H new ATOM 637 N ALA A 47 19.769 18.031 -6.072 1.00 2.14 N ATOM 638 CA ALA A 47 19.155 17.869 -7.383 1.00 72.44 C ATOM 639 C ALA A 47 18.192 19.012 -7.684 1.00 35.12 C ATOM 640 O ALA A 47 17.951 19.345 -8.844 1.00 55.51 O ATOM 641 CB ALA A 47 18.433 16.532 -7.466 1.00 72.12 C ATOM 0 H ALA A 47 19.149 17.827 -5.288 1.00 2.14 H new ATOM 0 HA ALA A 47 19.946 17.889 -8.132 1.00 72.44 H new ATOM 0 HB1 ALA A 47 17.979 16.424 -8.451 1.00 72.12 H new ATOM 0 HB2 ALA A 47 19.146 15.723 -7.304 1.00 72.12 H new ATOM 0 HB3 ALA A 47 17.657 16.490 -6.702 1.00 72.12 H new ATOM 647 N VAL A 48 17.642 19.609 -6.631 1.00 2.02 N ATOM 648 CA VAL A 48 16.705 20.716 -6.782 1.00 70.41 C ATOM 649 C VAL A 48 17.416 21.977 -7.258 1.00 44.12 C ATOM 650 O VAL A 48 16.847 22.786 -7.992 1.00 32.44 O ATOM 651 CB VAL A 48 15.976 21.019 -5.460 1.00 21.55 C ATOM 652 CG1 VAL A 48 15.094 22.249 -5.606 1.00 11.15 C ATOM 653 CG2 VAL A 48 15.158 19.816 -5.015 1.00 31.41 C ATOM 0 H VAL A 48 17.829 19.344 -5.664 1.00 2.02 H new ATOM 0 HA VAL A 48 15.973 20.411 -7.530 1.00 70.41 H new ATOM 0 HB VAL A 48 16.722 21.226 -4.693 1.00 21.55 H new ATOM 0 HG11 VAL A 48 14.587 22.447 -4.662 1.00 11.15 H new ATOM 0 HG12 VAL A 48 15.709 23.108 -5.875 1.00 11.15 H new ATOM 0 HG13 VAL A 48 14.353 22.075 -6.386 1.00 11.15 H new ATOM 0 HG21 VAL A 48 14.650 20.048 -4.079 1.00 31.41 H new ATOM 0 HG22 VAL A 48 14.419 19.575 -5.779 1.00 31.41 H new ATOM 0 HG23 VAL A 48 15.818 18.962 -4.867 1.00 31.41 H new ATOM 663 N LYS A 49 18.666 22.140 -6.837 1.00 31.14 N ATOM 664 CA LYS A 49 19.458 23.302 -7.220 1.00 42.24 C ATOM 665 C LYS A 49 19.860 23.225 -8.690 1.00 3.33 C ATOM 666 O LYS A 49 20.134 24.245 -9.321 1.00 40.32 O ATOM 667 CB LYS A 49 20.708 23.405 -6.343 1.00 50.43 C ATOM 668 CG LYS A 49 20.525 24.295 -5.126 1.00 32.23 C ATOM 669 CD LYS A 49 20.921 25.732 -5.420 1.00 70.12 C ATOM 670 CE LYS A 49 19.829 26.466 -6.183 1.00 32.01 C ATOM 671 NZ LYS A 49 19.928 27.942 -6.011 1.00 30.24 N ATOM 0 H LYS A 49 19.152 21.481 -6.230 1.00 31.14 H new ATOM 0 HA LYS A 49 18.846 24.192 -7.075 1.00 42.24 H new ATOM 0 HB2 LYS A 49 20.993 22.406 -6.013 1.00 50.43 H new ATOM 0 HB3 LYS A 49 21.532 23.790 -6.943 1.00 50.43 H new ATOM 0 HG2 LYS A 49 19.484 24.262 -4.804 1.00 32.23 H new ATOM 0 HG3 LYS A 49 21.126 23.913 -4.301 1.00 32.23 H new ATOM 0 HD2 LYS A 49 21.126 26.253 -4.485 1.00 70.12 H new ATOM 0 HD3 LYS A 49 21.843 25.745 -6.000 1.00 70.12 H new ATOM 0 HE2 LYS A 49 19.897 26.219 -7.242 1.00 32.01 H new ATOM 0 HE3 LYS A 49 18.853 26.125 -5.838 1.00 32.01 H new ATOM 0 HZ1 LYS A 49 19.118 28.401 -6.476 1.00 30.24 H new ATOM 0 HZ2 LYS A 49 19.923 28.175 -4.997 1.00 30.24 H new ATOM 0 HZ3 LYS A 49 20.812 28.283 -6.440 1.00 30.24 H new ATOM 685 N GLU A 50 19.892 22.010 -9.227 1.00 62.12 N ATOM 686 CA GLU A 50 20.260 21.802 -10.623 1.00 24.12 C ATOM 687 C GLU A 50 19.087 22.113 -11.547 1.00 73.52 C ATOM 688 O GLU A 50 19.217 22.064 -12.770 1.00 25.11 O ATOM 689 CB GLU A 50 20.728 20.361 -10.841 1.00 1.43 C ATOM 690 CG GLU A 50 21.700 20.206 -11.998 1.00 62.31 C ATOM 691 CD GLU A 50 22.374 18.847 -12.015 1.00 51.33 C ATOM 692 OE1 GLU A 50 21.703 17.847 -11.687 1.00 14.24 O ATOM 693 OE2 GLU A 50 23.573 18.785 -12.358 1.00 63.01 O ATOM 0 H GLU A 50 19.668 21.155 -8.718 1.00 62.12 H new ATOM 0 HA GLU A 50 21.078 22.482 -10.862 1.00 24.12 H new ATOM 0 HB2 GLU A 50 21.202 20.000 -9.928 1.00 1.43 H new ATOM 0 HB3 GLU A 50 19.859 19.729 -11.021 1.00 1.43 H new ATOM 0 HG2 GLU A 50 21.168 20.355 -12.937 1.00 62.31 H new ATOM 0 HG3 GLU A 50 22.461 20.984 -11.935 1.00 62.31 H new ATOM 700 N GLN A 51 17.941 22.431 -10.953 1.00 22.20 N ATOM 701 CA GLN A 51 16.744 22.748 -11.723 1.00 22.12 C ATOM 702 C GLN A 51 16.666 24.242 -12.017 1.00 2.41 C ATOM 703 O GLN A 51 16.387 24.650 -13.145 1.00 23.41 O ATOM 704 CB GLN A 51 15.492 22.299 -10.967 1.00 64.32 C ATOM 705 CG GLN A 51 15.523 20.836 -10.554 1.00 41.03 C ATOM 706 CD GLN A 51 14.697 19.954 -11.469 1.00 75.11 C ATOM 707 OE1 GLN A 51 14.017 19.033 -11.015 1.00 30.01 O ATOM 708 NE2 GLN A 51 14.750 20.231 -12.767 1.00 1.44 N ATOM 0 H GLN A 51 17.816 22.476 -9.942 1.00 22.20 H new ATOM 0 HA GLN A 51 16.800 22.212 -12.671 1.00 22.12 H new ATOM 0 HB2 GLN A 51 15.374 22.917 -10.077 1.00 64.32 H new ATOM 0 HB3 GLN A 51 14.617 22.473 -11.594 1.00 64.32 H new ATOM 0 HG2 GLN A 51 16.555 20.485 -10.551 1.00 41.03 H new ATOM 0 HG3 GLN A 51 15.152 20.743 -9.533 1.00 41.03 H new ATOM 0 HE21 GLN A 51 15.327 21.004 -13.100 1.00 1.44 H new ATOM 0 HE22 GLN A 51 14.214 19.671 -13.430 1.00 1.44 H new ATOM 717 N TYR A 52 16.914 25.055 -10.995 1.00 74.25 N ATOM 718 CA TYR A 52 16.869 26.505 -11.144 1.00 35.42 C ATOM 719 C TYR A 52 17.995 27.168 -10.358 1.00 24.12 C ATOM 720 O TYR A 52 17.806 27.659 -9.245 1.00 34.32 O ATOM 721 CB TYR A 52 15.517 27.045 -10.673 1.00 60.32 C ATOM 722 CG TYR A 52 14.836 26.164 -9.650 1.00 2.12 C ATOM 723 CD1 TYR A 52 15.521 25.710 -8.529 1.00 52.14 C ATOM 724 CD2 TYR A 52 13.508 25.787 -9.803 1.00 54.01 C ATOM 725 CE1 TYR A 52 14.903 24.905 -7.592 1.00 72.24 C ATOM 726 CE2 TYR A 52 12.881 24.983 -8.870 1.00 41.24 C ATOM 727 CZ TYR A 52 13.583 24.544 -7.767 1.00 50.31 C ATOM 728 OH TYR A 52 12.963 23.743 -6.835 1.00 44.53 O ATOM 0 H TYR A 52 17.148 24.734 -10.055 1.00 74.25 H new ATOM 0 HA TYR A 52 16.999 26.741 -12.200 1.00 35.42 H new ATOM 0 HB2 TYR A 52 15.660 28.038 -10.247 1.00 60.32 H new ATOM 0 HB3 TYR A 52 14.861 27.160 -11.536 1.00 60.32 H new ATOM 0 HD1 TYR A 52 16.554 25.991 -8.388 1.00 52.14 H new ATOM 0 HD2 TYR A 52 12.956 26.128 -10.666 1.00 54.01 H new ATOM 0 HE1 TYR A 52 15.450 24.560 -6.727 1.00 72.24 H new ATOM 0 HE2 TYR A 52 11.847 24.700 -9.004 1.00 41.24 H new ATOM 0 HH TYR A 52 12.035 23.583 -7.107 1.00 44.53 H new ATOM 738 N PRO A 53 19.199 27.184 -10.950 1.00 54.35 N ATOM 739 CA PRO A 53 20.381 27.785 -10.326 1.00 13.14 C ATOM 740 C PRO A 53 20.288 29.305 -10.251 1.00 52.35 C ATOM 741 O PRO A 53 21.130 29.959 -9.638 1.00 13.25 O ATOM 742 CB PRO A 53 21.524 27.364 -11.252 1.00 23.22 C ATOM 743 CG PRO A 53 20.877 27.137 -12.574 1.00 51.53 C ATOM 744 CD PRO A 53 19.497 26.618 -12.277 1.00 5.05 C ATOM 0 HA PRO A 53 20.508 27.457 -9.294 1.00 13.14 H new ATOM 0 HB2 PRO A 53 22.289 28.138 -11.313 1.00 23.22 H new ATOM 0 HB3 PRO A 53 22.014 26.460 -10.891 1.00 23.22 H new ATOM 0 HG2 PRO A 53 20.831 28.062 -13.149 1.00 51.53 H new ATOM 0 HG3 PRO A 53 21.444 26.420 -13.168 1.00 51.53 H new ATOM 0 HD2 PRO A 53 18.775 26.945 -13.025 1.00 5.05 H new ATOM 0 HD3 PRO A 53 19.471 25.528 -12.264 1.00 5.05 H new ATOM 752 N GLY A 54 19.258 29.862 -10.881 1.00 55.32 N ATOM 753 CA GLY A 54 19.074 31.302 -10.874 1.00 32.23 C ATOM 754 C GLY A 54 18.303 31.782 -9.660 1.00 75.52 C ATOM 755 O GLY A 54 18.592 32.847 -9.114 1.00 73.31 O ATOM 0 H GLY A 54 18.548 29.342 -11.396 1.00 55.32 H new ATOM 0 HA2 GLY A 54 20.048 31.790 -10.898 1.00 32.23 H new ATOM 0 HA3 GLY A 54 18.545 31.602 -11.779 1.00 32.23 H new ATOM 759 N ILE A 55 17.318 30.995 -9.238 1.00 51.41 N ATOM 760 CA ILE A 55 16.503 31.347 -8.082 1.00 32.30 C ATOM 761 C ILE A 55 17.352 31.444 -6.820 1.00 5.45 C ATOM 762 O ILE A 55 18.581 31.406 -6.882 1.00 53.03 O ATOM 763 CB ILE A 55 15.379 30.319 -7.853 1.00 13.34 C ATOM 764 CG1 ILE A 55 15.969 28.968 -7.444 1.00 72.13 C ATOM 765 CG2 ILE A 55 14.529 30.175 -9.106 1.00 52.32 C ATOM 766 CD1 ILE A 55 15.474 28.473 -6.103 1.00 44.11 C ATOM 0 H ILE A 55 17.066 30.111 -9.679 1.00 51.41 H new ATOM 0 HA ILE A 55 16.058 32.319 -8.293 1.00 32.30 H new ATOM 0 HB ILE A 55 14.741 30.675 -7.044 1.00 13.34 H new ATOM 0 HG12 ILE A 55 15.726 28.229 -8.207 1.00 72.13 H new ATOM 0 HG13 ILE A 55 17.056 29.050 -7.414 1.00 72.13 H new ATOM 0 HG21 ILE A 55 13.739 29.445 -8.928 1.00 52.32 H new ATOM 0 HG22 ILE A 55 14.084 31.138 -9.356 1.00 52.32 H new ATOM 0 HG23 ILE A 55 15.154 29.839 -9.933 1.00 52.32 H new ATOM 0 HD11 ILE A 55 15.934 27.511 -5.878 1.00 44.11 H new ATOM 0 HD12 ILE A 55 15.740 29.192 -5.329 1.00 44.11 H new ATOM 0 HD13 ILE A 55 14.390 28.359 -6.135 1.00 44.11 H new ATOM 778 N GLU A 56 16.689 31.569 -5.674 1.00 70.13 N ATOM 779 CA GLU A 56 17.384 31.671 -4.397 1.00 23.24 C ATOM 780 C GLU A 56 16.700 30.815 -3.335 1.00 33.31 C ATOM 781 O GLU A 56 15.667 31.198 -2.784 1.00 43.33 O ATOM 782 CB GLU A 56 17.438 33.129 -3.935 1.00 24.40 C ATOM 783 CG GLU A 56 18.785 33.792 -4.169 1.00 24.51 C ATOM 784 CD GLU A 56 19.837 33.344 -3.172 1.00 12.20 C ATOM 785 OE1 GLU A 56 20.404 32.248 -3.359 1.00 62.20 O ATOM 786 OE2 GLU A 56 20.092 34.092 -2.204 1.00 60.45 O ATOM 0 H GLU A 56 15.672 31.602 -5.605 1.00 70.13 H new ATOM 0 HA GLU A 56 18.401 31.303 -4.536 1.00 23.24 H new ATOM 0 HB2 GLU A 56 16.668 33.696 -4.458 1.00 24.40 H new ATOM 0 HB3 GLU A 56 17.200 33.174 -2.872 1.00 24.40 H new ATOM 0 HG2 GLU A 56 19.127 33.565 -5.179 1.00 24.51 H new ATOM 0 HG3 GLU A 56 18.669 34.874 -4.107 1.00 24.51 H new ATOM 793 N ILE A 57 17.282 29.654 -3.054 1.00 31.13 N ATOM 794 CA ILE A 57 16.729 28.744 -2.058 1.00 71.24 C ATOM 795 C ILE A 57 17.618 28.677 -0.821 1.00 72.51 C ATOM 796 O ILE A 57 18.844 28.694 -0.924 1.00 53.25 O ATOM 797 CB ILE A 57 16.554 27.324 -2.629 1.00 43.11 C ATOM 798 CG1 ILE A 57 16.222 26.337 -1.508 1.00 4.42 C ATOM 799 CG2 ILE A 57 17.812 26.892 -3.367 1.00 63.44 C ATOM 800 CD1 ILE A 57 14.928 26.651 -0.791 1.00 32.31 C ATOM 0 H ILE A 57 18.136 29.321 -3.502 1.00 31.13 H new ATOM 0 HA ILE A 57 15.752 29.137 -1.779 1.00 71.24 H new ATOM 0 HB ILE A 57 15.725 27.332 -3.337 1.00 43.11 H new ATOM 0 HG12 ILE A 57 16.162 25.332 -1.926 1.00 4.42 H new ATOM 0 HG13 ILE A 57 17.037 26.333 -0.785 1.00 4.42 H new ATOM 0 HG21 ILE A 57 17.673 25.887 -3.765 1.00 63.44 H new ATOM 0 HG22 ILE A 57 18.008 27.583 -4.187 1.00 63.44 H new ATOM 0 HG23 ILE A 57 18.657 26.896 -2.679 1.00 63.44 H new ATOM 0 HD11 ILE A 57 14.756 25.911 -0.010 1.00 32.31 H new ATOM 0 HD12 ILE A 57 14.991 27.643 -0.344 1.00 32.31 H new ATOM 0 HD13 ILE A 57 14.103 26.626 -1.502 1.00 32.31 H new ATOM 812 N GLU A 58 16.990 28.598 0.348 1.00 22.51 N ATOM 813 CA GLU A 58 17.725 28.526 1.606 1.00 41.35 C ATOM 814 C GLU A 58 16.896 27.832 2.682 1.00 72.21 C ATOM 815 O GLU A 58 15.709 27.567 2.492 1.00 71.35 O ATOM 816 CB GLU A 58 18.116 29.930 2.074 1.00 61.44 C ATOM 817 CG GLU A 58 19.245 30.548 1.267 1.00 63.14 C ATOM 818 CD GLU A 58 18.745 31.336 0.072 1.00 51.22 C ATOM 819 OE1 GLU A 58 17.626 31.886 0.149 1.00 23.41 O ATOM 820 OE2 GLU A 58 19.473 31.404 -0.941 1.00 31.42 O ATOM 0 H GLU A 58 15.975 28.582 0.450 1.00 22.51 H new ATOM 0 HA GLU A 58 18.629 27.942 1.436 1.00 41.35 H new ATOM 0 HB2 GLU A 58 17.242 30.579 2.017 1.00 61.44 H new ATOM 0 HB3 GLU A 58 18.412 29.885 3.122 1.00 61.44 H new ATOM 0 HG2 GLU A 58 19.830 31.204 1.911 1.00 63.14 H new ATOM 0 HG3 GLU A 58 19.915 29.760 0.923 1.00 63.14 H new ATOM 827 N SER A 59 17.530 27.540 3.813 1.00 62.42 N ATOM 828 CA SER A 59 16.853 26.872 4.918 1.00 3.05 C ATOM 829 C SER A 59 16.431 27.879 5.984 1.00 30.22 C ATOM 830 O SER A 59 17.199 28.768 6.352 1.00 15.14 O ATOM 831 CB SER A 59 17.765 25.811 5.536 1.00 24.54 C ATOM 832 OG SER A 59 19.126 26.201 5.463 1.00 55.41 O ATOM 0 H SER A 59 18.511 27.756 3.988 1.00 62.42 H new ATOM 0 HA SER A 59 15.959 26.388 4.525 1.00 3.05 H new ATOM 0 HB2 SER A 59 17.486 25.649 6.577 1.00 24.54 H new ATOM 0 HB3 SER A 59 17.627 24.862 5.017 1.00 24.54 H new ATOM 0 HG SER A 59 19.687 25.506 5.866 1.00 55.41 H new ATOM 838 N ARG A 60 15.205 27.732 6.475 1.00 31.54 N ATOM 839 CA ARG A 60 14.679 28.628 7.498 1.00 72.21 C ATOM 840 C ARG A 60 14.143 27.839 8.689 1.00 71.10 C ATOM 841 O ARG A 60 13.627 26.731 8.532 1.00 2.34 O ATOM 842 CB ARG A 60 13.571 29.507 6.915 1.00 71.13 C ATOM 843 CG ARG A 60 12.955 30.461 7.925 1.00 42.11 C ATOM 844 CD ARG A 60 13.962 31.498 8.397 1.00 1.30 C ATOM 845 NE ARG A 60 13.346 32.509 9.253 1.00 43.15 N ATOM 846 CZ ARG A 60 14.033 33.455 9.884 1.00 71.12 C ATOM 847 NH1 ARG A 60 15.351 33.519 9.756 1.00 40.24 N ATOM 848 NH2 ARG A 60 13.401 34.339 10.645 1.00 51.43 N ATOM 0 H ARG A 60 14.557 27.001 6.181 1.00 31.54 H new ATOM 0 HA ARG A 60 15.495 29.264 7.843 1.00 72.21 H new ATOM 0 HB2 ARG A 60 13.976 30.084 6.084 1.00 71.13 H new ATOM 0 HB3 ARG A 60 12.788 28.867 6.508 1.00 71.13 H new ATOM 0 HG2 ARG A 60 12.097 30.963 7.477 1.00 42.11 H new ATOM 0 HG3 ARG A 60 12.584 29.897 8.781 1.00 42.11 H new ATOM 0 HD2 ARG A 60 14.765 31.002 8.942 1.00 1.30 H new ATOM 0 HD3 ARG A 60 14.416 31.983 7.532 1.00 1.30 H new ATOM 0 HE ARG A 60 12.333 32.487 9.373 1.00 43.15 H new ATOM 0 HH11 ARG A 60 15.840 32.841 9.172 1.00 40.24 H new ATOM 0 HH12 ARG A 60 15.876 34.246 10.242 1.00 40.24 H new ATOM 0 HH21 ARG A 60 12.387 34.293 10.746 1.00 51.43 H new ATOM 0 HH22 ARG A 60 13.929 35.065 11.129 1.00 51.43 H new ATOM 862 N LEU A 61 14.269 28.416 9.879 1.00 73.11 N ATOM 863 CA LEU A 61 13.798 27.767 11.098 1.00 74.05 C ATOM 864 C LEU A 61 12.275 27.810 11.184 1.00 63.45 C ATOM 865 O LEU A 61 11.648 28.789 10.783 1.00 71.01 O ATOM 866 CB LEU A 61 14.408 28.442 12.327 1.00 63.20 C ATOM 867 CG LEU A 61 15.672 27.791 12.892 1.00 53.24 C ATOM 868 CD1 LEU A 61 15.365 26.398 13.420 1.00 54.55 C ATOM 869 CD2 LEU A 61 16.761 27.733 11.831 1.00 43.21 C ATOM 0 H LEU A 61 14.693 29.332 10.026 1.00 73.11 H new ATOM 0 HA LEU A 61 14.113 26.724 11.070 1.00 74.05 H new ATOM 0 HB2 LEU A 61 14.639 29.476 12.072 1.00 63.20 H new ATOM 0 HB3 LEU A 61 13.654 28.469 13.114 1.00 63.20 H new ATOM 0 HG LEU A 61 16.032 28.400 13.721 1.00 53.24 H new ATOM 0 HD11 LEU A 61 16.276 25.951 13.818 1.00 54.55 H new ATOM 0 HD12 LEU A 61 14.618 26.465 14.211 1.00 54.55 H new ATOM 0 HD13 LEU A 61 14.980 25.778 12.610 1.00 54.55 H new ATOM 0 HD21 LEU A 61 17.653 27.267 12.250 1.00 43.21 H new ATOM 0 HD22 LEU A 61 16.410 27.147 10.981 1.00 43.21 H new ATOM 0 HD23 LEU A 61 17.001 28.744 11.500 1.00 43.21 H new ATOM 881 N GLY A 62 11.687 26.740 11.711 1.00 1.24 N ATOM 882 CA GLY A 62 10.243 26.677 11.843 1.00 63.34 C ATOM 883 C GLY A 62 9.786 26.791 13.283 1.00 5.14 C ATOM 884 O GLY A 62 8.941 27.623 13.610 1.00 71.12 O ATOM 0 H GLY A 62 12.185 25.916 12.049 1.00 1.24 H new ATOM 0 HA2 GLY A 62 9.793 27.479 11.258 1.00 63.34 H new ATOM 0 HA3 GLY A 62 9.884 25.737 11.425 1.00 63.34 H new ATOM 888 N GLY A 63 10.346 25.951 14.149 1.00 44.02 N ATOM 889 CA GLY A 63 9.978 25.977 15.552 1.00 34.41 C ATOM 890 C GLY A 63 10.209 24.644 16.237 1.00 44.30 C ATOM 891 O GLY A 63 11.126 24.505 17.048 1.00 72.12 O ATOM 0 H GLY A 63 11.048 25.253 13.903 1.00 44.02 H new ATOM 0 HA2 GLY A 63 10.555 26.749 16.062 1.00 34.41 H new ATOM 0 HA3 GLY A 63 8.927 26.252 15.644 1.00 34.41 H new ATOM 895 N THR A 64 9.376 23.661 15.912 1.00 31.34 N ATOM 896 CA THR A 64 9.492 22.334 16.504 1.00 63.22 C ATOM 897 C THR A 64 8.764 21.291 15.663 1.00 1.41 C ATOM 898 O THR A 64 7.535 21.275 15.604 1.00 4.23 O ATOM 899 CB THR A 64 8.928 22.306 17.937 1.00 44.10 C ATOM 900 OG1 THR A 64 7.934 23.325 18.092 1.00 73.52 O ATOM 901 CG2 THR A 64 10.036 22.513 18.959 1.00 64.25 C ATOM 0 H THR A 64 8.613 23.759 15.242 1.00 31.34 H new ATOM 0 HA THR A 64 10.555 22.094 16.535 1.00 63.22 H new ATOM 0 HB THR A 64 8.476 21.329 18.107 1.00 44.10 H new ATOM 0 HG1 THR A 64 7.579 23.300 19.005 1.00 73.52 H new ATOM 0 HG21 THR A 64 9.614 22.489 19.964 1.00 64.25 H new ATOM 0 HG22 THR A 64 10.777 21.720 18.858 1.00 64.25 H new ATOM 0 HG23 THR A 64 10.513 23.478 18.789 1.00 64.25 H new ATOM 909 N GLY A 65 9.531 20.421 15.014 1.00 71.44 N ATOM 910 CA GLY A 65 8.940 19.386 14.185 1.00 63.10 C ATOM 911 C GLY A 65 7.943 19.941 13.187 1.00 24.10 C ATOM 912 O GLY A 65 6.775 19.556 13.188 1.00 74.23 O ATOM 0 H GLY A 65 10.550 20.414 15.047 1.00 71.44 H new ATOM 0 HA2 GLY A 65 9.730 18.858 13.650 1.00 63.10 H new ATOM 0 HA3 GLY A 65 8.443 18.654 14.822 1.00 63.10 H new ATOM 916 N ALA A 66 8.405 20.850 12.334 1.00 24.44 N ATOM 917 CA ALA A 66 7.546 21.458 11.327 1.00 50.23 C ATOM 918 C ALA A 66 8.153 21.325 9.934 1.00 21.12 C ATOM 919 O ALA A 66 9.336 21.017 9.789 1.00 62.52 O ATOM 920 CB ALA A 66 7.298 22.922 11.659 1.00 44.33 C ATOM 0 H ALA A 66 9.370 21.181 12.321 1.00 24.44 H new ATOM 0 HA ALA A 66 6.593 20.929 11.331 1.00 50.23 H new ATOM 0 HB1 ALA A 66 6.655 23.364 10.898 1.00 44.33 H new ATOM 0 HB2 ALA A 66 6.813 22.997 12.632 1.00 44.33 H new ATOM 0 HB3 ALA A 66 8.248 23.455 11.685 1.00 44.33 H new ATOM 926 N PHE A 67 7.336 21.558 8.913 1.00 50.54 N ATOM 927 CA PHE A 67 7.793 21.463 7.531 1.00 34.30 C ATOM 928 C PHE A 67 7.042 22.449 6.641 1.00 60.34 C ATOM 929 O PHE A 67 6.617 22.105 5.538 1.00 44.31 O ATOM 930 CB PHE A 67 7.603 20.038 7.006 1.00 31.15 C ATOM 931 CG PHE A 67 8.461 19.718 5.816 1.00 4.03 C ATOM 932 CD1 PHE A 67 9.836 19.602 5.948 1.00 72.10 C ATOM 933 CD2 PHE A 67 7.894 19.534 4.566 1.00 41.04 C ATOM 934 CE1 PHE A 67 10.629 19.307 4.855 1.00 52.21 C ATOM 935 CE2 PHE A 67 8.682 19.239 3.469 1.00 32.21 C ATOM 936 CZ PHE A 67 10.051 19.126 3.614 1.00 51.54 C ATOM 0 H PHE A 67 6.354 21.814 9.016 1.00 50.54 H new ATOM 0 HA PHE A 67 8.854 21.714 7.507 1.00 34.30 H new ATOM 0 HB2 PHE A 67 7.827 19.332 7.806 1.00 31.15 H new ATOM 0 HB3 PHE A 67 6.556 19.895 6.738 1.00 31.15 H new ATOM 0 HD1 PHE A 67 10.293 19.744 6.916 1.00 72.10 H new ATOM 0 HD2 PHE A 67 6.824 19.622 4.447 1.00 41.04 H new ATOM 0 HE1 PHE A 67 11.699 19.218 4.971 1.00 52.21 H new ATOM 0 HE2 PHE A 67 8.228 19.097 2.500 1.00 32.21 H new ATOM 0 HZ PHE A 67 10.668 18.896 2.758 1.00 51.54 H new ATOM 946 N GLU A 68 6.883 23.675 7.129 1.00 73.13 N ATOM 947 CA GLU A 68 6.182 24.710 6.378 1.00 42.22 C ATOM 948 C GLU A 68 6.996 25.146 5.163 1.00 60.13 C ATOM 949 O GLU A 68 8.080 25.713 5.300 1.00 64.12 O ATOM 950 CB GLU A 68 5.898 25.917 7.274 1.00 15.21 C ATOM 951 CG GLU A 68 4.891 25.633 8.376 1.00 22.15 C ATOM 952 CD GLU A 68 5.071 26.539 9.579 1.00 42.33 C ATOM 953 OE1 GLU A 68 4.931 27.770 9.421 1.00 74.10 O ATOM 954 OE2 GLU A 68 5.353 26.017 10.678 1.00 75.02 O ATOM 0 H GLU A 68 7.230 23.976 8.040 1.00 73.13 H new ATOM 0 HA GLU A 68 5.237 24.294 6.030 1.00 42.22 H new ATOM 0 HB2 GLU A 68 6.832 26.252 7.725 1.00 15.21 H new ATOM 0 HB3 GLU A 68 5.529 26.737 6.658 1.00 15.21 H new ATOM 0 HG2 GLU A 68 3.882 25.755 7.982 1.00 22.15 H new ATOM 0 HG3 GLU A 68 4.986 24.594 8.691 1.00 22.15 H new ATOM 961 N ILE A 69 6.465 24.876 3.975 1.00 41.11 N ATOM 962 CA ILE A 69 7.141 25.240 2.736 1.00 3.30 C ATOM 963 C ILE A 69 6.766 26.652 2.299 1.00 13.34 C ATOM 964 O ILE A 69 5.595 27.030 2.327 1.00 71.31 O ATOM 965 CB ILE A 69 6.803 24.257 1.600 1.00 23.20 C ATOM 966 CG1 ILE A 69 7.204 22.833 1.993 1.00 53.24 C ATOM 967 CG2 ILE A 69 7.501 24.673 0.314 1.00 53.43 C ATOM 968 CD1 ILE A 69 6.545 21.765 1.147 1.00 4.51 C ATOM 0 H ILE A 69 5.569 24.407 3.845 1.00 41.11 H new ATOM 0 HA ILE A 69 8.211 25.196 2.937 1.00 3.30 H new ATOM 0 HB ILE A 69 5.727 24.278 1.429 1.00 23.20 H new ATOM 0 HG12 ILE A 69 8.286 22.733 1.912 1.00 53.24 H new ATOM 0 HG13 ILE A 69 6.946 22.667 3.039 1.00 53.24 H new ATOM 0 HG21 ILE A 69 7.252 23.968 -0.479 1.00 53.43 H new ATOM 0 HG22 ILE A 69 7.172 25.672 0.028 1.00 53.43 H new ATOM 0 HG23 ILE A 69 8.580 24.677 0.470 1.00 53.43 H new ATOM 0 HD11 ILE A 69 6.875 20.781 1.481 1.00 4.51 H new ATOM 0 HD12 ILE A 69 5.462 21.838 1.247 1.00 4.51 H new ATOM 0 HD13 ILE A 69 6.823 21.905 0.102 1.00 4.51 H new ATOM 980 N GLU A 70 7.768 27.427 1.895 1.00 15.01 N ATOM 981 CA GLU A 70 7.541 28.798 1.451 1.00 23.53 C ATOM 982 C GLU A 70 8.165 29.035 0.079 1.00 3.01 C ATOM 983 O GLU A 70 9.375 29.231 -0.038 1.00 43.25 O ATOM 984 CB GLU A 70 8.119 29.787 2.465 1.00 45.31 C ATOM 985 CG GLU A 70 7.558 29.621 3.867 1.00 74.12 C ATOM 986 CD GLU A 70 8.432 30.263 4.926 1.00 64.01 C ATOM 987 OE1 GLU A 70 9.606 29.855 5.052 1.00 1.12 O ATOM 988 OE2 GLU A 70 7.944 31.173 5.628 1.00 31.52 O ATOM 0 H GLU A 70 8.743 27.130 1.866 1.00 15.01 H new ATOM 0 HA GLU A 70 6.465 28.955 1.373 1.00 23.53 H new ATOM 0 HB2 GLU A 70 9.202 29.667 2.500 1.00 45.31 H new ATOM 0 HB3 GLU A 70 7.922 30.803 2.122 1.00 45.31 H new ATOM 0 HG2 GLU A 70 6.561 30.060 3.909 1.00 74.12 H new ATOM 0 HG3 GLU A 70 7.448 28.559 4.087 1.00 74.12 H new ATOM 995 N ILE A 71 7.331 29.015 -0.955 1.00 2.00 N ATOM 996 CA ILE A 71 7.800 29.229 -2.318 1.00 63.44 C ATOM 997 C ILE A 71 8.224 30.677 -2.533 1.00 45.42 C ATOM 998 O ILE A 71 9.035 30.974 -3.410 1.00 20.12 O ATOM 999 CB ILE A 71 6.717 28.864 -3.350 1.00 55.32 C ATOM 1000 CG1 ILE A 71 7.269 28.997 -4.771 1.00 12.21 C ATOM 1001 CG2 ILE A 71 5.492 29.749 -3.167 1.00 63.11 C ATOM 1002 CD1 ILE A 71 8.408 28.047 -5.068 1.00 10.24 C ATOM 0 H ILE A 71 6.327 28.853 -0.875 1.00 2.00 H new ATOM 0 HA ILE A 71 8.661 28.576 -2.461 1.00 63.44 H new ATOM 0 HB ILE A 71 6.420 27.827 -3.192 1.00 55.32 H new ATOM 0 HG12 ILE A 71 6.463 28.819 -5.483 1.00 12.21 H new ATOM 0 HG13 ILE A 71 7.611 30.021 -4.925 1.00 12.21 H new ATOM 0 HG21 ILE A 71 4.735 29.479 -3.903 1.00 63.11 H new ATOM 0 HG22 ILE A 71 5.089 29.609 -2.164 1.00 63.11 H new ATOM 0 HG23 ILE A 71 5.774 30.793 -3.302 1.00 63.11 H new ATOM 0 HD11 ILE A 71 8.749 28.197 -6.092 1.00 10.24 H new ATOM 0 HD12 ILE A 71 9.231 28.239 -4.380 1.00 10.24 H new ATOM 0 HD13 ILE A 71 8.066 27.019 -4.946 1.00 10.24 H new ATOM 1014 N ASN A 72 7.672 31.576 -1.725 1.00 54.21 N ATOM 1015 CA ASN A 72 7.994 32.995 -1.826 1.00 14.03 C ATOM 1016 C ASN A 72 8.157 33.615 -0.441 1.00 41.34 C ATOM 1017 O ASN A 72 7.820 34.779 -0.227 1.00 45.14 O ATOM 1018 CB ASN A 72 6.901 33.733 -2.602 1.00 3.40 C ATOM 1019 CG ASN A 72 7.164 33.750 -4.096 1.00 33.45 C ATOM 1020 OD1 ASN A 72 7.458 34.796 -4.674 1.00 73.20 O ATOM 1021 ND2 ASN A 72 7.058 32.586 -4.727 1.00 40.32 N ATOM 0 H ASN A 72 7.000 31.347 -0.993 1.00 54.21 H new ATOM 0 HA ASN A 72 8.938 33.091 -2.362 1.00 14.03 H new ATOM 0 HB2 ASN A 72 5.939 33.258 -2.411 1.00 3.40 H new ATOM 0 HB3 ASN A 72 6.828 34.757 -2.237 1.00 3.40 H new ATOM 0 HD21 ASN A 72 7.223 32.534 -5.732 1.00 40.32 H new ATOM 0 HD22 ASN A 72 6.812 31.744 -4.206 1.00 40.32 H new ATOM 1028 N GLY A 73 8.677 32.829 0.496 1.00 22.30 N ATOM 1029 CA GLY A 73 8.877 33.318 1.848 1.00 70.33 C ATOM 1030 C GLY A 73 7.625 33.208 2.695 1.00 52.22 C ATOM 1031 O GLY A 73 7.654 33.480 3.895 1.00 45.24 O ATOM 0 H GLY A 73 8.964 31.862 0.343 1.00 22.30 H new ATOM 0 HA2 GLY A 73 9.682 32.754 2.320 1.00 70.33 H new ATOM 0 HA3 GLY A 73 9.197 34.359 1.811 1.00 70.33 H new ATOM 1035 N GLN A 74 6.522 32.810 2.069 1.00 13.40 N ATOM 1036 CA GLN A 74 5.253 32.668 2.774 1.00 42.42 C ATOM 1037 C GLN A 74 4.731 31.239 2.671 1.00 15.33 C ATOM 1038 O GLN A 74 4.971 30.549 1.680 1.00 32.30 O ATOM 1039 CB GLN A 74 4.219 33.644 2.208 1.00 25.15 C ATOM 1040 CG GLN A 74 4.572 35.105 2.437 1.00 25.35 C ATOM 1041 CD GLN A 74 3.582 36.053 1.791 1.00 60.33 C ATOM 1042 OE1 GLN A 74 3.969 37.014 1.125 1.00 72.30 O ATOM 1043 NE2 GLN A 74 2.295 35.787 1.983 1.00 23.12 N ATOM 0 H GLN A 74 6.481 32.580 1.076 1.00 13.40 H new ATOM 0 HA GLN A 74 5.422 32.899 3.826 1.00 42.42 H new ATOM 0 HB2 GLN A 74 4.113 33.468 1.138 1.00 25.15 H new ATOM 0 HB3 GLN A 74 3.250 33.437 2.662 1.00 25.15 H new ATOM 0 HG2 GLN A 74 4.611 35.302 3.508 1.00 25.35 H new ATOM 0 HG3 GLN A 74 5.568 35.301 2.040 1.00 25.35 H new ATOM 0 HE21 GLN A 74 2.019 34.980 2.542 1.00 23.12 H new ATOM 0 HE22 GLN A 74 1.583 36.390 1.571 1.00 23.12 H new ATOM 1052 N LEU A 75 4.015 30.801 3.701 1.00 2.03 N ATOM 1053 CA LEU A 75 3.458 29.453 3.728 1.00 42.03 C ATOM 1054 C LEU A 75 2.399 29.280 2.644 1.00 51.31 C ATOM 1055 O LEU A 75 1.411 30.014 2.604 1.00 32.52 O ATOM 1056 CB LEU A 75 2.852 29.157 5.101 1.00 44.03 C ATOM 1057 CG LEU A 75 2.361 27.726 5.323 1.00 3.24 C ATOM 1058 CD1 LEU A 75 3.479 26.730 5.054 1.00 54.31 C ATOM 1059 CD2 LEU A 75 1.826 27.560 6.738 1.00 1.12 C ATOM 0 H LEU A 75 3.807 31.360 4.528 1.00 2.03 H new ATOM 0 HA LEU A 75 4.267 28.748 3.536 1.00 42.03 H new ATOM 0 HB2 LEU A 75 3.598 29.386 5.862 1.00 44.03 H new ATOM 0 HB3 LEU A 75 2.014 29.836 5.260 1.00 44.03 H new ATOM 0 HG LEU A 75 1.549 27.528 4.623 1.00 3.24 H new ATOM 0 HD11 LEU A 75 3.111 25.717 5.217 1.00 54.31 H new ATOM 0 HD12 LEU A 75 3.817 26.832 4.023 1.00 54.31 H new ATOM 0 HD13 LEU A 75 4.312 26.927 5.729 1.00 54.31 H new ATOM 0 HD21 LEU A 75 1.481 26.536 6.879 1.00 1.12 H new ATOM 0 HD22 LEU A 75 2.618 27.778 7.454 1.00 1.12 H new ATOM 0 HD23 LEU A 75 0.995 28.248 6.896 1.00 1.12 H new ATOM 1071 N VAL A 76 2.611 28.304 1.767 1.00 53.23 N ATOM 1072 CA VAL A 76 1.673 28.032 0.684 1.00 14.31 C ATOM 1073 C VAL A 76 1.102 26.623 0.793 1.00 71.25 C ATOM 1074 O VAL A 76 -0.004 26.351 0.324 1.00 43.35 O ATOM 1075 CB VAL A 76 2.342 28.199 -0.693 1.00 74.02 C ATOM 1076 CG1 VAL A 76 2.560 29.671 -1.006 1.00 55.45 C ATOM 1077 CG2 VAL A 76 3.656 27.435 -0.743 1.00 31.33 C ATOM 0 H VAL A 76 3.424 27.688 1.785 1.00 53.23 H new ATOM 0 HA VAL A 76 0.864 28.757 0.776 1.00 14.31 H new ATOM 0 HB VAL A 76 1.678 27.785 -1.452 1.00 74.02 H new ATOM 0 HG11 VAL A 76 3.034 29.769 -1.983 1.00 55.45 H new ATOM 0 HG12 VAL A 76 1.600 30.187 -1.015 1.00 55.45 H new ATOM 0 HG13 VAL A 76 3.203 30.113 -0.245 1.00 55.45 H new ATOM 0 HG21 VAL A 76 4.115 27.564 -1.723 1.00 31.33 H new ATOM 0 HG22 VAL A 76 4.328 27.817 0.026 1.00 31.33 H new ATOM 0 HG23 VAL A 76 3.468 26.376 -0.567 1.00 31.33 H new ATOM 1087 N PHE A 77 1.863 25.728 1.414 1.00 10.45 N ATOM 1088 CA PHE A 77 1.433 24.345 1.585 1.00 44.34 C ATOM 1089 C PHE A 77 2.132 23.702 2.778 1.00 25.44 C ATOM 1090 O PHE A 77 3.275 23.256 2.676 1.00 63.10 O ATOM 1091 CB PHE A 77 1.721 23.540 0.316 1.00 70.03 C ATOM 1092 CG PHE A 77 0.746 23.804 -0.796 1.00 1.31 C ATOM 1093 CD1 PHE A 77 -0.550 23.320 -0.728 1.00 33.12 C ATOM 1094 CD2 PHE A 77 1.126 24.537 -1.908 1.00 52.55 C ATOM 1095 CE1 PHE A 77 -1.449 23.561 -1.750 1.00 10.12 C ATOM 1096 CE2 PHE A 77 0.231 24.782 -2.933 1.00 42.24 C ATOM 1097 CZ PHE A 77 -1.058 24.294 -2.853 1.00 52.23 C ATOM 0 H PHE A 77 2.781 25.936 1.807 1.00 10.45 H new ATOM 0 HA PHE A 77 0.359 24.344 1.772 1.00 44.34 H new ATOM 0 HB2 PHE A 77 2.728 23.772 -0.031 1.00 70.03 H new ATOM 0 HB3 PHE A 77 1.705 22.477 0.558 1.00 70.03 H new ATOM 0 HD1 PHE A 77 -0.862 22.748 0.133 1.00 33.12 H new ATOM 0 HD2 PHE A 77 2.133 24.922 -1.975 1.00 52.55 H new ATOM 0 HE1 PHE A 77 -2.456 23.176 -1.686 1.00 10.12 H new ATOM 0 HE2 PHE A 77 0.540 25.354 -3.795 1.00 42.24 H new ATOM 0 HZ PHE A 77 -1.759 24.485 -3.652 1.00 52.23 H new ATOM 1107 N SER A 78 1.437 23.658 3.910 1.00 23.55 N ATOM 1108 CA SER A 78 1.992 23.073 5.126 1.00 72.22 C ATOM 1109 C SER A 78 1.872 21.552 5.101 1.00 51.13 C ATOM 1110 O SER A 78 0.979 20.998 4.459 1.00 40.10 O ATOM 1111 CB SER A 78 1.278 23.632 6.358 1.00 74.22 C ATOM 1112 OG SER A 78 0.736 24.914 6.095 1.00 54.50 O ATOM 0 H SER A 78 0.489 24.020 4.011 1.00 23.55 H new ATOM 0 HA SER A 78 3.049 23.336 5.177 1.00 72.22 H new ATOM 0 HB2 SER A 78 0.482 22.952 6.660 1.00 74.22 H new ATOM 0 HB3 SER A 78 1.978 23.694 7.191 1.00 74.22 H new ATOM 0 HG SER A 78 0.139 25.173 6.828 1.00 54.50 H new ATOM 1118 N LYS A 79 2.778 20.882 5.804 1.00 22.20 N ATOM 1119 CA LYS A 79 2.776 19.425 5.865 1.00 12.03 C ATOM 1120 C LYS A 79 2.208 18.937 7.194 1.00 0.33 C ATOM 1121 O LYS A 79 1.744 17.801 7.304 1.00 42.44 O ATOM 1122 CB LYS A 79 4.195 18.884 5.675 1.00 35.42 C ATOM 1123 CG LYS A 79 4.243 17.393 5.386 1.00 2.25 C ATOM 1124 CD LYS A 79 5.562 16.782 5.829 1.00 0.24 C ATOM 1125 CE LYS A 79 5.398 15.319 6.213 1.00 52.53 C ATOM 1126 NZ LYS A 79 4.711 15.164 7.525 1.00 61.31 N ATOM 0 H LYS A 79 3.524 21.325 6.340 1.00 22.20 H new ATOM 0 HA LYS A 79 2.141 19.053 5.060 1.00 12.03 H new ATOM 0 HB2 LYS A 79 4.673 19.420 4.855 1.00 35.42 H new ATOM 0 HB3 LYS A 79 4.777 19.091 6.573 1.00 35.42 H new ATOM 0 HG2 LYS A 79 3.420 16.895 5.899 1.00 2.25 H new ATOM 0 HG3 LYS A 79 4.103 17.224 4.318 1.00 2.25 H new ATOM 0 HD2 LYS A 79 6.292 16.868 5.025 1.00 0.24 H new ATOM 0 HD3 LYS A 79 5.956 17.340 6.678 1.00 0.24 H new ATOM 0 HE2 LYS A 79 4.827 14.803 5.441 1.00 52.53 H new ATOM 0 HE3 LYS A 79 6.378 14.843 6.257 1.00 52.53 H new ATOM 0 HZ1 LYS A 79 4.841 14.192 7.872 1.00 61.31 H new ATOM 0 HZ2 LYS A 79 5.116 15.833 8.210 1.00 61.31 H new ATOM 0 HZ3 LYS A 79 3.696 15.358 7.410 1.00 61.31 H new ATOM 1140 N LEU A 80 2.246 19.802 8.202 1.00 42.43 N ATOM 1141 CA LEU A 80 1.734 19.460 9.524 1.00 52.10 C ATOM 1142 C LEU A 80 0.209 19.416 9.522 1.00 1.05 C ATOM 1143 O LEU A 80 -0.405 18.840 10.420 1.00 51.21 O ATOM 1144 CB LEU A 80 2.225 20.472 10.561 1.00 61.13 C ATOM 1145 CG LEU A 80 3.455 20.060 11.371 1.00 73.43 C ATOM 1146 CD1 LEU A 80 4.572 19.599 10.448 1.00 71.42 C ATOM 1147 CD2 LEU A 80 3.926 21.210 12.248 1.00 52.40 C ATOM 0 H LEU A 80 2.626 20.746 8.129 1.00 42.43 H new ATOM 0 HA LEU A 80 2.108 18.470 9.786 1.00 52.10 H new ATOM 0 HB2 LEU A 80 2.449 21.408 10.049 1.00 61.13 H new ATOM 0 HB3 LEU A 80 1.409 20.676 11.255 1.00 61.13 H new ATOM 0 HG LEU A 80 3.178 19.227 12.017 1.00 73.43 H new ATOM 0 HD11 LEU A 80 5.439 19.310 11.042 1.00 71.42 H new ATOM 0 HD12 LEU A 80 4.231 18.744 9.863 1.00 71.42 H new ATOM 0 HD13 LEU A 80 4.847 20.412 9.776 1.00 71.42 H new ATOM 0 HD21 LEU A 80 4.802 20.899 12.817 1.00 52.40 H new ATOM 0 HD22 LEU A 80 4.185 22.063 11.621 1.00 52.40 H new ATOM 0 HD23 LEU A 80 3.129 21.494 12.935 1.00 52.40 H new ATOM 1159 N GLU A 81 -0.395 20.027 8.507 1.00 24.55 N ATOM 1160 CA GLU A 81 -1.848 20.055 8.389 1.00 3.13 C ATOM 1161 C GLU A 81 -2.344 18.914 7.506 1.00 33.13 C ATOM 1162 O GLU A 81 -3.109 18.059 7.951 1.00 63.21 O ATOM 1163 CB GLU A 81 -2.309 21.396 7.815 1.00 5.51 C ATOM 1164 CG GLU A 81 -1.916 22.591 8.668 1.00 25.12 C ATOM 1165 CD GLU A 81 -2.654 22.631 9.992 1.00 71.31 C ATOM 1166 OE1 GLU A 81 -2.354 21.790 10.865 1.00 41.00 O ATOM 1167 OE2 GLU A 81 -3.533 23.503 10.154 1.00 4.44 O ATOM 0 H GLU A 81 0.099 20.509 7.756 1.00 24.55 H new ATOM 0 HA GLU A 81 -2.271 19.930 9.386 1.00 3.13 H new ATOM 0 HB2 GLU A 81 -1.888 21.518 6.817 1.00 5.51 H new ATOM 0 HB3 GLU A 81 -3.393 21.381 7.704 1.00 5.51 H new ATOM 0 HG2 GLU A 81 -0.843 22.561 8.855 1.00 25.12 H new ATOM 0 HG3 GLU A 81 -2.118 23.509 8.116 1.00 25.12 H new ATOM 1174 N ASN A 82 -1.904 18.909 6.252 1.00 1.23 N ATOM 1175 CA ASN A 82 -2.304 17.874 5.306 1.00 50.44 C ATOM 1176 C ASN A 82 -1.918 16.490 5.817 1.00 3.14 C ATOM 1177 O ASN A 82 -2.735 15.570 5.828 1.00 44.32 O ATOM 1178 CB ASN A 82 -1.658 18.125 3.941 1.00 30.34 C ATOM 1179 CG ASN A 82 -2.361 17.379 2.823 1.00 10.33 C ATOM 1180 OD1 ASN A 82 -3.117 17.967 2.049 1.00 4.34 O ATOM 1181 ND2 ASN A 82 -2.115 16.077 2.734 1.00 2.52 N ATOM 0 H ASN A 82 -1.271 19.610 5.867 1.00 1.23 H new ATOM 0 HA ASN A 82 -3.388 17.913 5.201 1.00 50.44 H new ATOM 0 HB2 ASN A 82 -1.672 19.194 3.726 1.00 30.34 H new ATOM 0 HB3 ASN A 82 -0.612 17.821 3.976 1.00 30.34 H new ATOM 0 HD21 ASN A 82 -2.560 15.523 2.002 1.00 2.52 H new ATOM 0 HD22 ASN A 82 -1.481 15.631 3.397 1.00 2.52 H new ATOM 1188 N GLY A 83 -0.665 16.350 6.242 1.00 15.23 N ATOM 1189 CA GLY A 83 -0.193 15.076 6.750 1.00 25.41 C ATOM 1190 C GLY A 83 0.547 14.271 5.699 1.00 13.14 C ATOM 1191 O GLY A 83 0.400 13.052 5.624 1.00 50.00 O ATOM 0 H GLY A 83 0.030 17.096 6.243 1.00 15.23 H new ATOM 0 HA2 GLY A 83 0.466 15.249 7.601 1.00 25.41 H new ATOM 0 HA3 GLY A 83 -1.041 14.497 7.116 1.00 25.41 H new ATOM 1236 N TYR A 87 5.223 16.133 -3.761 1.00 41.10 N ATOM 1237 CA TYR A 87 6.026 15.285 -4.634 1.00 41.11 C ATOM 1238 C TYR A 87 7.214 16.057 -5.201 1.00 20.33 C ATOM 1239 O TYR A 87 7.402 17.235 -4.900 1.00 65.21 O ATOM 1240 CB TYR A 87 5.169 14.736 -5.776 1.00 31.03 C ATOM 1241 CG TYR A 87 4.223 13.636 -5.348 1.00 42.42 C ATOM 1242 CD1 TYR A 87 4.662 12.323 -5.230 1.00 10.34 C ATOM 1243 CD2 TYR A 87 2.891 13.910 -5.064 1.00 2.13 C ATOM 1244 CE1 TYR A 87 3.802 11.315 -4.840 1.00 15.11 C ATOM 1245 CE2 TYR A 87 2.024 12.909 -4.672 1.00 61.40 C ATOM 1246 CZ TYR A 87 2.484 11.613 -4.562 1.00 32.12 C ATOM 1247 OH TYR A 87 1.623 10.612 -4.173 1.00 52.23 O ATOM 0 HA TYR A 87 6.406 14.453 -4.041 1.00 41.11 H new ATOM 0 HB2 TYR A 87 4.591 15.552 -6.210 1.00 31.03 H new ATOM 0 HB3 TYR A 87 5.824 14.356 -6.560 1.00 31.03 H new ATOM 0 HD1 TYR A 87 5.693 12.087 -5.447 1.00 10.34 H new ATOM 0 HD2 TYR A 87 2.527 14.923 -5.151 1.00 2.13 H new ATOM 0 HE1 TYR A 87 4.159 10.300 -4.753 1.00 15.11 H new ATOM 0 HE2 TYR A 87 0.992 13.139 -4.453 1.00 61.40 H new ATOM 0 HH TYR A 87 0.733 10.990 -4.015 1.00 52.23 H new ATOM 1257 N GLU A 88 8.012 15.382 -6.023 1.00 55.10 N ATOM 1258 CA GLU A 88 9.182 16.004 -6.632 1.00 75.21 C ATOM 1259 C GLU A 88 8.776 16.904 -7.795 1.00 54.23 C ATOM 1260 O GLU A 88 9.334 17.985 -7.983 1.00 43.24 O ATOM 1261 CB GLU A 88 10.160 14.933 -7.119 1.00 42.10 C ATOM 1262 CG GLU A 88 9.573 14.004 -8.169 1.00 4.42 C ATOM 1263 CD GLU A 88 10.517 12.878 -8.544 1.00 51.33 C ATOM 1264 OE1 GLU A 88 11.570 13.165 -9.152 1.00 11.13 O ATOM 1265 OE2 GLU A 88 10.203 11.711 -8.231 1.00 72.04 O ATOM 0 H GLU A 88 7.870 14.406 -6.282 1.00 55.10 H new ATOM 0 HA GLU A 88 9.672 16.617 -5.875 1.00 75.21 H new ATOM 0 HB2 GLU A 88 11.044 15.420 -7.531 1.00 42.10 H new ATOM 0 HB3 GLU A 88 10.491 14.340 -6.266 1.00 42.10 H new ATOM 0 HG2 GLU A 88 8.640 13.582 -7.795 1.00 4.42 H new ATOM 0 HG3 GLU A 88 9.327 14.579 -9.061 1.00 4.42 H new ATOM 1272 N LYS A 89 7.799 16.451 -8.574 1.00 65.52 N ATOM 1273 CA LYS A 89 7.316 17.213 -9.719 1.00 45.22 C ATOM 1274 C LYS A 89 6.340 18.298 -9.277 1.00 55.13 C ATOM 1275 O LYS A 89 6.212 19.335 -9.929 1.00 23.11 O ATOM 1276 CB LYS A 89 6.640 16.283 -10.729 1.00 11.31 C ATOM 1277 CG LYS A 89 5.348 15.668 -10.219 1.00 25.25 C ATOM 1278 CD LYS A 89 4.948 14.452 -11.038 1.00 3.24 C ATOM 1279 CE LYS A 89 4.031 13.528 -10.252 1.00 31.03 C ATOM 1280 NZ LYS A 89 2.714 14.163 -9.968 1.00 42.30 N ATOM 0 H LYS A 89 7.326 15.559 -8.432 1.00 65.52 H new ATOM 0 HA LYS A 89 8.173 17.691 -10.193 1.00 45.22 H new ATOM 0 HB2 LYS A 89 6.431 16.841 -11.642 1.00 11.31 H new ATOM 0 HB3 LYS A 89 7.333 15.484 -10.995 1.00 11.31 H new ATOM 0 HG2 LYS A 89 5.468 15.381 -9.174 1.00 25.25 H new ATOM 0 HG3 LYS A 89 4.551 16.411 -10.256 1.00 25.25 H new ATOM 0 HD2 LYS A 89 4.446 14.775 -11.950 1.00 3.24 H new ATOM 0 HD3 LYS A 89 5.842 13.907 -11.342 1.00 3.24 H new ATOM 0 HE2 LYS A 89 3.876 12.607 -10.813 1.00 31.03 H new ATOM 0 HE3 LYS A 89 4.511 13.252 -9.313 1.00 31.03 H new ATOM 0 HZ1 LYS A 89 2.112 13.495 -9.446 1.00 42.30 H new ATOM 0 HZ2 LYS A 89 2.858 15.020 -9.396 1.00 42.30 H new ATOM 0 HZ3 LYS A 89 2.251 14.418 -10.864 1.00 42.30 H new ATOM 1294 N ASP A 90 5.653 18.053 -8.167 1.00 22.14 N ATOM 1295 CA ASP A 90 4.690 19.010 -7.636 1.00 55.33 C ATOM 1296 C ASP A 90 5.383 20.054 -6.766 1.00 50.24 C ATOM 1297 O ASP A 90 4.764 21.028 -6.334 1.00 23.53 O ATOM 1298 CB ASP A 90 3.613 18.287 -6.826 1.00 32.10 C ATOM 1299 CG ASP A 90 2.619 19.245 -6.198 1.00 65.40 C ATOM 1300 OD1 ASP A 90 2.249 20.234 -6.863 1.00 13.42 O ATOM 1301 OD2 ASP A 90 2.213 19.005 -5.041 1.00 65.04 O ATOM 0 H ASP A 90 5.745 17.199 -7.617 1.00 22.14 H new ATOM 0 HA ASP A 90 4.220 19.519 -8.478 1.00 55.33 H new ATOM 0 HB2 ASP A 90 3.082 17.590 -7.474 1.00 32.10 H new ATOM 0 HB3 ASP A 90 4.087 17.695 -6.043 1.00 32.10 H new ATOM 1306 N LEU A 91 6.670 19.845 -6.513 1.00 20.21 N ATOM 1307 CA LEU A 91 7.448 20.767 -5.693 1.00 43.23 C ATOM 1308 C LEU A 91 8.177 21.786 -6.563 1.00 40.41 C ATOM 1309 O LEU A 91 8.552 22.862 -6.094 1.00 74.25 O ATOM 1310 CB LEU A 91 8.456 19.996 -4.839 1.00 32.30 C ATOM 1311 CG LEU A 91 8.005 19.647 -3.420 1.00 73.22 C ATOM 1312 CD1 LEU A 91 8.990 18.690 -2.767 1.00 2.42 C ATOM 1313 CD2 LEU A 91 7.849 20.909 -2.584 1.00 64.14 C ATOM 0 H LEU A 91 7.197 19.045 -6.864 1.00 20.21 H new ATOM 0 HA LEU A 91 6.760 21.301 -5.038 1.00 43.23 H new ATOM 0 HB2 LEU A 91 8.708 19.070 -5.357 1.00 32.30 H new ATOM 0 HB3 LEU A 91 9.371 20.584 -4.774 1.00 32.30 H new ATOM 0 HG LEU A 91 7.035 19.153 -3.479 1.00 73.22 H new ATOM 0 HD11 LEU A 91 8.653 18.453 -1.758 1.00 2.42 H new ATOM 0 HD12 LEU A 91 9.050 17.774 -3.354 1.00 2.42 H new ATOM 0 HD13 LEU A 91 9.974 19.157 -2.720 1.00 2.42 H new ATOM 0 HD21 LEU A 91 7.528 20.641 -1.577 1.00 64.14 H new ATOM 0 HD22 LEU A 91 8.804 21.432 -2.533 1.00 64.14 H new ATOM 0 HD23 LEU A 91 7.104 21.559 -3.042 1.00 64.14 H new ATOM 1325 N ILE A 92 8.373 21.442 -7.831 1.00 74.13 N ATOM 1326 CA ILE A 92 9.053 22.328 -8.767 1.00 42.40 C ATOM 1327 C ILE A 92 8.052 23.125 -9.597 1.00 1.12 C ATOM 1328 O ILE A 92 8.407 24.120 -10.228 1.00 63.42 O ATOM 1329 CB ILE A 92 9.979 21.543 -9.715 1.00 12.11 C ATOM 1330 CG1 ILE A 92 11.161 22.413 -10.145 1.00 42.54 C ATOM 1331 CG2 ILE A 92 9.203 21.056 -10.929 1.00 72.24 C ATOM 1332 CD1 ILE A 92 12.174 21.679 -10.996 1.00 10.22 C ATOM 0 H ILE A 92 8.070 20.555 -8.234 1.00 74.13 H new ATOM 0 HA ILE A 92 9.654 23.014 -8.171 1.00 42.40 H new ATOM 0 HB ILE A 92 10.367 20.674 -9.183 1.00 12.11 H new ATOM 0 HG12 ILE A 92 10.786 23.272 -10.701 1.00 42.54 H new ATOM 0 HG13 ILE A 92 11.658 22.801 -9.256 1.00 42.54 H new ATOM 0 HG21 ILE A 92 9.871 20.503 -11.590 1.00 72.24 H new ATOM 0 HG22 ILE A 92 8.392 20.404 -10.605 1.00 72.24 H new ATOM 0 HG23 ILE A 92 8.790 21.911 -11.464 1.00 72.24 H new ATOM 0 HD11 ILE A 92 12.984 22.357 -11.264 1.00 10.22 H new ATOM 0 HD12 ILE A 92 12.577 20.836 -10.435 1.00 10.22 H new ATOM 0 HD13 ILE A 92 11.691 21.314 -11.903 1.00 10.22 H new ATOM 1344 N GLU A 93 6.799 22.681 -9.589 1.00 10.33 N ATOM 1345 CA GLU A 93 5.746 23.354 -10.340 1.00 42.33 C ATOM 1346 C GLU A 93 5.345 24.662 -9.664 1.00 24.04 C ATOM 1347 O GLU A 93 4.568 25.443 -10.211 1.00 10.43 O ATOM 1348 CB GLU A 93 4.525 22.443 -10.477 1.00 54.14 C ATOM 1349 CG GLU A 93 3.712 22.318 -9.200 1.00 22.35 C ATOM 1350 CD GLU A 93 2.483 21.446 -9.373 1.00 3.44 C ATOM 1351 OE1 GLU A 93 2.575 20.428 -10.089 1.00 62.25 O ATOM 1352 OE2 GLU A 93 1.430 21.783 -8.792 1.00 23.31 O ATOM 0 H GLU A 93 6.489 21.859 -9.071 1.00 10.33 H new ATOM 0 HA GLU A 93 6.133 23.583 -11.333 1.00 42.33 H new ATOM 0 HB2 GLU A 93 3.883 22.827 -11.270 1.00 54.14 H new ATOM 0 HB3 GLU A 93 4.855 21.451 -10.786 1.00 54.14 H new ATOM 0 HG2 GLU A 93 4.341 21.901 -8.413 1.00 22.35 H new ATOM 0 HG3 GLU A 93 3.405 23.311 -8.871 1.00 22.35 H new ATOM 1359 N ALA A 94 5.882 24.892 -8.470 1.00 11.14 N ATOM 1360 CA ALA A 94 5.582 26.105 -7.718 1.00 61.34 C ATOM 1361 C ALA A 94 6.178 27.333 -8.398 1.00 74.02 C ATOM 1362 O ALA A 94 5.451 28.226 -8.835 1.00 34.23 O ATOM 1363 CB ALA A 94 6.101 25.984 -6.293 1.00 51.41 C ATOM 0 H ALA A 94 6.527 24.255 -8.003 1.00 11.14 H new ATOM 0 HA ALA A 94 4.499 26.227 -7.689 1.00 61.34 H new ATOM 0 HB1 ALA A 94 5.870 26.896 -5.743 1.00 51.41 H new ATOM 0 HB2 ALA A 94 5.625 25.135 -5.803 1.00 51.41 H new ATOM 0 HB3 ALA A 94 7.180 25.834 -6.310 1.00 51.41 H new ATOM 1369 N ILE A 95 7.503 27.372 -8.484 1.00 30.13 N ATOM 1370 CA ILE A 95 8.195 28.491 -9.111 1.00 30.02 C ATOM 1371 C ILE A 95 7.721 28.696 -10.545 1.00 52.35 C ATOM 1372 O ILE A 95 7.821 29.795 -11.092 1.00 13.02 O ATOM 1373 CB ILE A 95 9.721 28.280 -9.111 1.00 54.45 C ATOM 1374 CG1 ILE A 95 10.090 27.072 -9.974 1.00 42.25 C ATOM 1375 CG2 ILE A 95 10.231 28.099 -7.690 1.00 31.32 C ATOM 1376 CD1 ILE A 95 10.444 27.433 -11.400 1.00 51.52 C ATOM 0 H ILE A 95 8.119 26.641 -8.127 1.00 30.13 H new ATOM 0 HA ILE A 95 7.959 29.378 -8.523 1.00 30.02 H new ATOM 0 HB ILE A 95 10.196 29.165 -9.536 1.00 54.45 H new ATOM 0 HG12 ILE A 95 10.934 26.555 -9.518 1.00 42.25 H new ATOM 0 HG13 ILE A 95 9.254 26.372 -9.982 1.00 42.25 H new ATOM 0 HG21 ILE A 95 11.311 27.951 -7.707 1.00 31.32 H new ATOM 0 HG22 ILE A 95 9.996 28.987 -7.103 1.00 31.32 H new ATOM 0 HG23 ILE A 95 9.753 27.229 -7.240 1.00 31.32 H new ATOM 0 HD11 ILE A 95 10.695 26.528 -11.953 1.00 51.52 H new ATOM 0 HD12 ILE A 95 9.593 27.923 -11.873 1.00 51.52 H new ATOM 0 HD13 ILE A 95 11.300 28.108 -11.403 1.00 51.52 H new ATOM 1388 N ARG A 96 7.203 27.632 -11.150 1.00 32.13 N ATOM 1389 CA ARG A 96 6.712 27.695 -12.521 1.00 50.30 C ATOM 1390 C ARG A 96 5.685 28.812 -12.680 1.00 11.52 C ATOM 1391 O ARG A 96 5.764 29.615 -13.610 1.00 63.54 O ATOM 1392 CB ARG A 96 6.092 26.357 -12.926 1.00 31.43 C ATOM 1393 CG ARG A 96 5.915 26.196 -14.427 1.00 13.52 C ATOM 1394 CD ARG A 96 4.582 26.760 -14.893 1.00 75.25 C ATOM 1395 NE ARG A 96 4.125 26.132 -16.131 1.00 30.15 N ATOM 1396 CZ ARG A 96 3.590 24.917 -16.184 1.00 54.41 C ATOM 1397 NH1 ARG A 96 3.444 24.204 -15.076 1.00 60.01 N ATOM 1398 NH2 ARG A 96 3.198 24.414 -17.348 1.00 1.41 N ATOM 0 H ARG A 96 7.113 26.715 -10.712 1.00 32.13 H new ATOM 0 HA ARG A 96 7.559 27.907 -13.174 1.00 50.30 H new ATOM 0 HB2 ARG A 96 6.721 25.548 -12.554 1.00 31.43 H new ATOM 0 HB3 ARG A 96 5.121 26.255 -12.441 1.00 31.43 H new ATOM 0 HG2 ARG A 96 6.728 26.703 -14.947 1.00 13.52 H new ATOM 0 HG3 ARG A 96 5.977 25.140 -14.691 1.00 13.52 H new ATOM 0 HD2 ARG A 96 3.834 26.613 -14.114 1.00 75.25 H new ATOM 0 HD3 ARG A 96 4.676 27.835 -15.045 1.00 75.25 H new ATOM 0 HE ARG A 96 4.222 26.655 -17.001 1.00 30.15 H new ATOM 0 HH11 ARG A 96 3.743 24.588 -14.179 1.00 60.01 H new ATOM 0 HH12 ARG A 96 3.033 23.272 -15.120 1.00 60.01 H new ATOM 0 HH21 ARG A 96 3.307 24.960 -18.202 1.00 1.41 H new ATOM 0 HH22 ARG A 96 2.787 23.481 -17.388 1.00 1.41 H new ATOM 1412 N ARG A 97 4.721 28.858 -11.766 1.00 23.35 N ATOM 1413 CA ARG A 97 3.678 29.875 -11.805 1.00 52.01 C ATOM 1414 C ARG A 97 4.076 31.095 -10.979 1.00 70.24 C ATOM 1415 O ARG A 97 3.733 32.226 -11.320 1.00 54.31 O ATOM 1416 CB ARG A 97 2.358 29.303 -11.285 1.00 71.50 C ATOM 1417 CG ARG A 97 1.661 28.383 -12.274 1.00 51.04 C ATOM 1418 CD ARG A 97 2.040 26.928 -12.045 1.00 42.34 C ATOM 1419 NE ARG A 97 1.140 26.270 -11.103 1.00 74.31 N ATOM 1420 CZ ARG A 97 1.020 24.951 -11.000 1.00 62.31 C ATOM 1421 NH1 ARG A 97 1.741 24.154 -11.777 1.00 72.20 N ATOM 1422 NH2 ARG A 97 0.179 24.426 -10.118 1.00 51.30 N ATOM 0 H ARG A 97 4.641 28.202 -10.989 1.00 23.35 H new ATOM 0 HA ARG A 97 3.548 30.186 -12.842 1.00 52.01 H new ATOM 0 HB2 ARG A 97 2.548 28.754 -10.363 1.00 71.50 H new ATOM 0 HB3 ARG A 97 1.689 30.126 -11.034 1.00 71.50 H new ATOM 0 HG2 ARG A 97 0.581 28.498 -12.180 1.00 51.04 H new ATOM 0 HG3 ARG A 97 1.925 28.673 -13.291 1.00 51.04 H new ATOM 0 HD2 ARG A 97 2.023 26.395 -12.996 1.00 42.34 H new ATOM 0 HD3 ARG A 97 3.061 26.874 -11.668 1.00 42.34 H new ATOM 0 HE ARG A 97 0.572 26.855 -10.490 1.00 74.31 H new ATOM 0 HH11 ARG A 97 2.389 24.553 -12.456 1.00 72.20 H new ATOM 0 HH12 ARG A 97 1.647 23.142 -11.696 1.00 72.20 H new ATOM 0 HH21 ARG A 97 -0.377 25.035 -9.518 1.00 51.30 H new ATOM 0 HH22 ARG A 97 0.088 23.413 -10.040 1.00 51.30 H new ATOM 1436 N ALA A 98 4.802 30.856 -9.892 1.00 72.41 N ATOM 1437 CA ALA A 98 5.248 31.934 -9.019 1.00 12.02 C ATOM 1438 C ALA A 98 6.144 32.913 -9.770 1.00 14.45 C ATOM 1439 O ALA A 98 6.009 34.128 -9.626 1.00 13.44 O ATOM 1440 CB ALA A 98 5.978 31.367 -7.811 1.00 25.13 C ATOM 0 H ALA A 98 5.094 29.925 -9.595 1.00 72.41 H new ATOM 0 HA ALA A 98 4.368 32.478 -8.675 1.00 12.02 H new ATOM 0 HB1 ALA A 98 6.306 32.184 -7.168 1.00 25.13 H new ATOM 0 HB2 ALA A 98 5.307 30.713 -7.254 1.00 25.13 H new ATOM 0 HB3 ALA A 98 6.846 30.797 -8.144 1.00 25.13 H new ATOM 1446 N SER A 99 7.059 32.377 -10.570 1.00 72.33 N ATOM 1447 CA SER A 99 7.980 33.204 -11.340 1.00 63.14 C ATOM 1448 C SER A 99 7.256 33.900 -12.489 1.00 32.43 C ATOM 1449 O SER A 99 7.785 34.826 -13.100 1.00 44.33 O ATOM 1450 CB SER A 99 9.128 32.353 -11.887 1.00 73.55 C ATOM 1451 OG SER A 99 10.312 33.119 -12.023 1.00 12.10 O ATOM 0 H SER A 99 7.183 31.373 -10.702 1.00 72.33 H new ATOM 0 HA SER A 99 8.386 33.966 -10.675 1.00 63.14 H new ATOM 0 HB2 SER A 99 9.311 31.511 -11.219 1.00 73.55 H new ATOM 0 HB3 SER A 99 8.847 31.937 -12.855 1.00 73.55 H new ATOM 0 HG SER A 99 10.972 32.612 -12.541 1.00 12.10 H new ATOM 1457 N ASN A 100 6.040 33.445 -12.775 1.00 64.43 N ATOM 1458 CA ASN A 100 5.242 34.022 -13.851 1.00 11.05 C ATOM 1459 C ASN A 100 4.930 35.489 -13.569 1.00 33.42 C ATOM 1460 O ASN A 100 4.756 36.285 -14.490 1.00 55.11 O ATOM 1461 CB ASN A 100 3.941 33.237 -14.026 1.00 33.50 C ATOM 1462 CG ASN A 100 3.433 33.270 -15.455 1.00 2.23 C ATOM 1463 OD1 ASN A 100 3.568 34.278 -16.149 1.00 71.44 O ATOM 1464 ND2 ASN A 100 2.846 32.166 -15.900 1.00 33.42 N ATOM 0 H ASN A 100 5.586 32.679 -12.277 1.00 64.43 H new ATOM 0 HA ASN A 100 5.821 33.962 -14.772 1.00 11.05 H new ATOM 0 HB2 ASN A 100 4.101 32.202 -13.724 1.00 33.50 H new ATOM 0 HB3 ASN A 100 3.180 33.648 -13.363 1.00 33.50 H new ATOM 0 HD21 ASN A 100 2.485 32.129 -16.853 1.00 33.42 H new ATOM 0 HD22 ASN A 100 2.756 31.354 -15.289 1.00 33.42 H new