USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=12 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 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.664 USER MOD Single : A 46 SER OG : rot -95:sc= 1.24 USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= -0.0137 (180deg=-0.169) USER MOD Single : A 51 GLN : amide:sc= -0.843 K(o=-0.84,f=-5.2!) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.995 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 72 ASN : amide:sc= -5.75! K(o=-5.8!,f=-0.17) USER MOD Single : A 74 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.22) USER MOD Single : A 78 SER OG : rot 177:sc= -2.58! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 5:sc= 0.408! USER MOD Single : A 100 ASN : amide:sc= -0.0515 K(o=-0.052,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 246 N GLU A 20 20.491 30.612 -16.821 1.00 42.01 N ATOM 247 CA GLU A 20 19.512 30.646 -15.741 1.00 61.41 C ATOM 248 C GLU A 20 18.116 30.943 -16.281 1.00 62.23 C ATOM 249 O GLU A 20 17.542 32.004 -16.037 1.00 54.15 O ATOM 250 CB GLU A 20 19.903 31.698 -14.701 1.00 30.40 C ATOM 251 CG GLU A 20 20.610 32.905 -15.293 1.00 3.23 C ATOM 252 CD GLU A 20 19.811 33.565 -16.399 1.00 53.51 C ATOM 253 OE1 GLU A 20 18.961 34.425 -16.086 1.00 3.41 O ATOM 254 OE2 GLU A 20 20.035 33.222 -17.579 1.00 22.24 O ATOM 0 HA GLU A 20 19.498 29.665 -15.267 1.00 61.41 H new ATOM 0 HB2 GLU A 20 19.006 32.032 -14.180 1.00 30.40 H new ATOM 0 HB3 GLU A 20 20.551 31.237 -13.956 1.00 30.40 H new ATOM 0 HG2 GLU A 20 20.801 33.633 -14.504 1.00 3.23 H new ATOM 0 HG3 GLU A 20 21.580 32.597 -15.684 1.00 3.23 H new ATOM 261 N PRO A 21 17.557 29.984 -17.034 1.00 31.31 N ATOM 262 CA PRO A 21 16.222 30.119 -17.625 1.00 22.43 C ATOM 263 C PRO A 21 15.117 30.076 -16.575 1.00 53.33 C ATOM 264 O PRO A 21 14.091 30.742 -16.712 1.00 44.34 O ATOM 265 CB PRO A 21 16.122 28.908 -18.556 1.00 23.43 C ATOM 266 CG PRO A 21 17.058 27.905 -17.974 1.00 61.33 C ATOM 267 CD PRO A 21 18.184 28.693 -17.365 1.00 43.44 C ATOM 0 HA PRO A 21 16.095 31.075 -18.132 1.00 22.43 H new ATOM 0 HB2 PRO A 21 15.103 28.522 -18.596 1.00 23.43 H new ATOM 0 HB3 PRO A 21 16.405 29.168 -19.576 1.00 23.43 H new ATOM 0 HG2 PRO A 21 16.558 27.295 -17.222 1.00 61.33 H new ATOM 0 HG3 PRO A 21 17.428 27.225 -18.742 1.00 61.33 H new ATOM 0 HD2 PRO A 21 18.585 28.202 -16.478 1.00 43.44 H new ATOM 0 HD3 PRO A 21 19.012 28.816 -18.063 1.00 43.44 H new ATOM 275 N GLY A 22 15.333 29.289 -15.526 1.00 74.40 N ATOM 276 CA GLY A 22 14.345 29.175 -14.468 1.00 64.34 C ATOM 277 C GLY A 22 14.276 30.418 -13.604 1.00 53.11 C ATOM 278 O GLY A 22 13.365 30.566 -12.790 1.00 33.35 O ATOM 0 H GLY A 22 16.174 28.728 -15.389 1.00 74.40 H new ATOM 0 HA2 GLY A 22 13.366 28.987 -14.908 1.00 64.34 H new ATOM 0 HA3 GLY A 22 14.584 28.314 -13.843 1.00 64.34 H new ATOM 282 N SER A 23 15.241 31.314 -13.780 1.00 44.22 N ATOM 283 CA SER A 23 15.289 32.549 -13.006 1.00 30.12 C ATOM 284 C SER A 23 13.949 33.276 -13.059 1.00 75.41 C ATOM 285 O SER A 23 13.279 33.292 -14.091 1.00 43.23 O ATOM 286 CB SER A 23 16.398 33.462 -13.530 1.00 44.44 C ATOM 287 OG SER A 23 16.440 34.681 -12.808 1.00 23.44 O ATOM 0 H SER A 23 16.001 31.208 -14.452 1.00 44.22 H new ATOM 0 HA SER A 23 15.502 32.290 -11.969 1.00 30.12 H new ATOM 0 HB2 SER A 23 17.359 32.955 -13.449 1.00 44.44 H new ATOM 0 HB3 SER A 23 16.234 33.668 -14.588 1.00 44.44 H new ATOM 0 HG SER A 23 17.159 35.246 -13.161 1.00 23.44 H new ATOM 293 N GLY A 24 13.563 33.876 -11.937 1.00 52.02 N ATOM 294 CA GLY A 24 12.304 34.596 -11.876 1.00 43.22 C ATOM 295 C GLY A 24 11.404 34.098 -10.763 1.00 24.40 C ATOM 296 O GLY A 24 10.184 34.243 -10.830 1.00 33.44 O ATOM 0 H GLY A 24 14.099 33.876 -11.069 1.00 52.02 H new ATOM 0 HA2 GLY A 24 12.503 35.658 -11.730 1.00 43.22 H new ATOM 0 HA3 GLY A 24 11.786 34.497 -12.830 1.00 43.22 H new ATOM 300 N VAL A 25 12.007 33.507 -9.736 1.00 65.54 N ATOM 301 CA VAL A 25 11.252 32.984 -8.604 1.00 25.11 C ATOM 302 C VAL A 25 11.966 33.272 -7.288 1.00 21.22 C ATOM 303 O VAL A 25 13.173 33.516 -7.265 1.00 35.25 O ATOM 304 CB VAL A 25 11.028 31.465 -8.732 1.00 12.52 C ATOM 305 CG1 VAL A 25 9.946 31.002 -7.767 1.00 44.45 C ATOM 306 CG2 VAL A 25 10.669 31.099 -10.164 1.00 12.30 C ATOM 0 H VAL A 25 13.016 33.379 -9.665 1.00 65.54 H new ATOM 0 HA VAL A 25 10.285 33.488 -8.608 1.00 25.11 H new ATOM 0 HB VAL A 25 11.956 30.955 -8.472 1.00 12.52 H new ATOM 0 HG11 VAL A 25 9.801 29.927 -7.871 1.00 44.45 H new ATOM 0 HG12 VAL A 25 10.248 31.230 -6.745 1.00 44.45 H new ATOM 0 HG13 VAL A 25 9.012 31.517 -7.993 1.00 44.45 H new ATOM 0 HG21 VAL A 25 10.514 30.022 -10.237 1.00 12.30 H new ATOM 0 HG22 VAL A 25 9.755 31.617 -10.454 1.00 12.30 H new ATOM 0 HG23 VAL A 25 11.480 31.395 -10.829 1.00 12.30 H new ATOM 316 N ARG A 26 11.213 33.241 -6.193 1.00 55.35 N ATOM 317 CA ARG A 26 11.773 33.500 -4.873 1.00 31.34 C ATOM 318 C ARG A 26 11.468 32.349 -3.918 1.00 62.11 C ATOM 319 O ARG A 26 10.496 32.396 -3.164 1.00 73.22 O ATOM 320 CB ARG A 26 11.216 34.807 -4.306 1.00 43.20 C ATOM 321 CG ARG A 26 11.702 35.117 -2.899 1.00 74.23 C ATOM 322 CD ARG A 26 13.126 35.650 -2.906 1.00 53.20 C ATOM 323 NE ARG A 26 13.336 36.663 -1.875 1.00 54.33 N ATOM 324 CZ ARG A 26 12.785 37.872 -1.910 1.00 32.45 C ATOM 325 NH1 ARG A 26 11.995 38.215 -2.917 1.00 54.32 N ATOM 326 NH2 ARG A 26 13.024 38.739 -0.934 1.00 35.30 N ATOM 0 H ARG A 26 10.213 33.039 -6.195 1.00 55.35 H new ATOM 0 HA ARG A 26 12.855 33.588 -4.976 1.00 31.34 H new ATOM 0 HB2 ARG A 26 11.495 35.628 -4.967 1.00 43.20 H new ATOM 0 HB3 ARG A 26 10.127 34.757 -4.302 1.00 43.20 H new ATOM 0 HG2 ARG A 26 11.040 35.850 -2.438 1.00 74.23 H new ATOM 0 HG3 ARG A 26 11.653 34.215 -2.289 1.00 74.23 H new ATOM 0 HD2 ARG A 26 13.822 34.826 -2.752 1.00 53.20 H new ATOM 0 HD3 ARG A 26 13.349 36.077 -3.884 1.00 53.20 H new ATOM 0 HE ARG A 26 13.938 36.430 -1.085 1.00 54.33 H new ATOM 0 HH11 ARG A 26 11.808 37.550 -3.668 1.00 54.32 H new ATOM 0 HH12 ARG A 26 11.574 39.144 -2.941 1.00 54.32 H new ATOM 0 HH21 ARG A 26 13.631 38.478 -0.157 1.00 35.30 H new ATOM 0 HH22 ARG A 26 12.601 39.667 -0.961 1.00 35.30 H new ATOM 340 N ILE A 27 12.305 31.318 -3.957 1.00 21.41 N ATOM 341 CA ILE A 27 12.125 30.156 -3.095 1.00 64.34 C ATOM 342 C ILE A 27 12.383 30.509 -1.635 1.00 0.34 C ATOM 343 O ILE A 27 13.209 31.370 -1.329 1.00 61.52 O ATOM 344 CB ILE A 27 13.059 29.001 -3.505 1.00 1.42 C ATOM 345 CG1 ILE A 27 12.931 28.720 -5.003 1.00 45.34 C ATOM 346 CG2 ILE A 27 12.742 27.752 -2.697 1.00 70.31 C ATOM 347 CD1 ILE A 27 13.912 27.686 -5.510 1.00 30.32 C ATOM 0 H ILE A 27 13.114 31.263 -4.576 1.00 21.41 H new ATOM 0 HA ILE A 27 11.090 29.835 -3.211 1.00 64.34 H new ATOM 0 HB ILE A 27 14.088 29.294 -3.296 1.00 1.42 H new ATOM 0 HG12 ILE A 27 11.917 28.382 -5.216 1.00 45.34 H new ATOM 0 HG13 ILE A 27 13.079 29.650 -5.553 1.00 45.34 H new ATOM 0 HG21 ILE A 27 13.410 26.945 -2.998 1.00 70.31 H new ATOM 0 HG22 ILE A 27 12.880 27.960 -1.636 1.00 70.31 H new ATOM 0 HG23 ILE A 27 11.709 27.454 -2.877 1.00 70.31 H new ATOM 0 HD11 ILE A 27 13.764 27.537 -6.580 1.00 30.32 H new ATOM 0 HD12 ILE A 27 14.930 28.031 -5.329 1.00 30.32 H new ATOM 0 HD13 ILE A 27 13.750 26.744 -4.987 1.00 30.32 H new ATOM 359 N VAL A 28 11.671 29.838 -0.734 1.00 43.35 N ATOM 360 CA VAL A 28 11.825 30.079 0.695 1.00 13.13 C ATOM 361 C VAL A 28 11.525 28.819 1.500 1.00 45.20 C ATOM 362 O VAL A 28 10.365 28.474 1.724 1.00 24.34 O ATOM 363 CB VAL A 28 10.900 31.213 1.176 1.00 42.53 C ATOM 364 CG1 VAL A 28 11.045 31.422 2.676 1.00 61.45 C ATOM 365 CG2 VAL A 28 11.198 32.499 0.419 1.00 1.35 C ATOM 0 H VAL A 28 10.982 29.123 -0.969 1.00 43.35 H new ATOM 0 HA VAL A 28 12.862 30.372 0.856 1.00 13.13 H new ATOM 0 HB VAL A 28 9.868 30.928 0.972 1.00 42.53 H new ATOM 0 HG11 VAL A 28 10.384 32.227 2.997 1.00 61.45 H new ATOM 0 HG12 VAL A 28 10.779 30.503 3.199 1.00 61.45 H new ATOM 0 HG13 VAL A 28 12.077 31.686 2.909 1.00 61.45 H new ATOM 0 HG21 VAL A 28 10.536 33.290 0.771 1.00 1.35 H new ATOM 0 HG22 VAL A 28 12.234 32.790 0.590 1.00 1.35 H new ATOM 0 HG23 VAL A 28 11.038 32.339 -0.647 1.00 1.35 H new ATOM 375 N VAL A 29 12.580 28.136 1.933 1.00 62.31 N ATOM 376 CA VAL A 29 12.431 26.914 2.715 1.00 41.12 C ATOM 377 C VAL A 29 12.097 27.229 4.169 1.00 44.45 C ATOM 378 O VAL A 29 12.902 27.823 4.885 1.00 24.23 O ATOM 379 CB VAL A 29 13.710 26.058 2.667 1.00 25.23 C ATOM 380 CG1 VAL A 29 13.551 24.811 3.524 1.00 11.22 C ATOM 381 CG2 VAL A 29 14.050 25.688 1.231 1.00 24.24 C ATOM 0 H VAL A 29 13.547 28.408 1.756 1.00 62.31 H new ATOM 0 HA VAL A 29 11.610 26.352 2.271 1.00 41.12 H new ATOM 0 HB VAL A 29 14.534 26.645 3.072 1.00 25.23 H new ATOM 0 HG11 VAL A 29 14.465 24.219 3.478 1.00 11.22 H new ATOM 0 HG12 VAL A 29 13.359 25.101 4.557 1.00 11.22 H new ATOM 0 HG13 VAL A 29 12.715 24.218 3.152 1.00 11.22 H new ATOM 0 HG21 VAL A 29 14.957 25.083 1.216 1.00 24.24 H new ATOM 0 HG22 VAL A 29 13.227 25.120 0.797 1.00 24.24 H new ATOM 0 HG23 VAL A 29 14.210 26.596 0.649 1.00 24.24 H new ATOM 391 N GLU A 30 10.905 26.827 4.597 1.00 53.42 N ATOM 392 CA GLU A 30 10.465 27.068 5.966 1.00 33.11 C ATOM 393 C GLU A 30 10.721 25.845 6.842 1.00 15.14 C ATOM 394 O GLU A 30 10.061 24.815 6.698 1.00 44.33 O ATOM 395 CB GLU A 30 8.977 27.425 5.992 1.00 41.31 C ATOM 396 CG GLU A 30 8.581 28.297 7.172 1.00 70.31 C ATOM 397 CD GLU A 30 7.148 28.785 7.082 1.00 61.42 C ATOM 398 OE1 GLU A 30 6.245 28.064 7.555 1.00 54.21 O ATOM 399 OE2 GLU A 30 6.931 29.888 6.538 1.00 73.31 O ATOM 0 H GLU A 30 10.227 26.333 4.016 1.00 53.42 H new ATOM 0 HA GLU A 30 11.039 27.905 6.363 1.00 33.11 H new ATOM 0 HB2 GLU A 30 8.720 27.941 5.067 1.00 41.31 H new ATOM 0 HB3 GLU A 30 8.392 26.506 6.018 1.00 41.31 H new ATOM 0 HG2 GLU A 30 8.711 27.733 8.096 1.00 70.31 H new ATOM 0 HG3 GLU A 30 9.251 29.155 7.225 1.00 70.31 H new ATOM 406 N TYR A 31 11.682 25.967 7.751 1.00 61.53 N ATOM 407 CA TYR A 31 12.028 24.871 8.649 1.00 40.13 C ATOM 408 C TYR A 31 12.402 25.397 10.031 1.00 13.31 C ATOM 409 O TYR A 31 12.723 26.575 10.195 1.00 71.24 O ATOM 410 CB TYR A 31 13.186 24.056 8.071 1.00 42.23 C ATOM 411 CG TYR A 31 14.522 24.759 8.154 1.00 3.25 C ATOM 412 CD1 TYR A 31 14.909 25.676 7.185 1.00 52.14 C ATOM 413 CD2 TYR A 31 15.398 24.506 9.203 1.00 64.14 C ATOM 414 CE1 TYR A 31 16.129 26.320 7.257 1.00 52.44 C ATOM 415 CE2 TYR A 31 16.620 25.146 9.283 1.00 14.54 C ATOM 416 CZ TYR A 31 16.980 26.053 8.308 1.00 24.50 C ATOM 417 OH TYR A 31 18.197 26.692 8.384 1.00 33.32 O ATOM 0 H TYR A 31 12.235 26.813 7.886 1.00 61.53 H new ATOM 0 HA TYR A 31 11.154 24.227 8.749 1.00 40.13 H new ATOM 0 HB2 TYR A 31 13.251 23.106 8.602 1.00 42.23 H new ATOM 0 HB3 TYR A 31 12.971 23.824 7.028 1.00 42.23 H new ATOM 0 HD1 TYR A 31 14.244 25.889 6.361 1.00 52.14 H new ATOM 0 HD2 TYR A 31 15.119 23.797 9.969 1.00 64.14 H new ATOM 0 HE1 TYR A 31 16.415 27.029 6.494 1.00 52.44 H new ATOM 0 HE2 TYR A 31 17.290 24.937 10.104 1.00 14.54 H new ATOM 0 HH TYR A 31 18.674 26.392 9.186 1.00 33.32 H new ATOM 427 N CYS A 32 12.358 24.516 11.024 1.00 21.52 N ATOM 428 CA CYS A 32 12.692 24.888 12.394 1.00 53.14 C ATOM 429 C CYS A 32 14.204 24.971 12.582 1.00 72.12 C ATOM 430 O CYS A 32 14.882 23.950 12.687 1.00 65.13 O ATOM 431 CB CYS A 32 12.099 23.878 13.378 1.00 12.10 C ATOM 432 SG CYS A 32 12.654 24.103 15.098 1.00 21.44 S ATOM 0 H CYS A 32 12.094 23.538 10.906 1.00 21.52 H new ATOM 0 HA CYS A 32 12.265 25.871 12.591 1.00 53.14 H new ATOM 0 HB2 CYS A 32 11.012 23.951 13.346 1.00 12.10 H new ATOM 0 HB3 CYS A 32 12.361 22.872 13.051 1.00 12.10 H new ATOM 437 N GLU A 33 14.723 26.194 12.624 1.00 63.14 N ATOM 438 CA GLU A 33 16.155 26.409 12.799 1.00 52.45 C ATOM 439 C GLU A 33 16.661 25.709 14.056 1.00 32.23 C ATOM 440 O GLU A 33 17.510 24.819 14.003 1.00 75.54 O ATOM 441 CB GLU A 33 16.462 27.906 12.877 1.00 50.33 C ATOM 442 CG GLU A 33 16.969 28.493 11.570 1.00 71.31 C ATOM 443 CD GLU A 33 16.594 29.952 11.401 1.00 53.11 C ATOM 444 OE1 GLU A 33 16.525 30.670 12.420 1.00 23.35 O ATOM 445 OE2 GLU A 33 16.369 30.376 10.248 1.00 55.40 O ATOM 0 H GLU A 33 14.175 27.050 12.539 1.00 63.14 H new ATOM 0 HA GLU A 33 16.668 25.984 11.936 1.00 52.45 H new ATOM 0 HB2 GLU A 33 15.560 28.438 13.178 1.00 50.33 H new ATOM 0 HB3 GLU A 33 17.207 28.075 13.655 1.00 50.33 H new ATOM 0 HG2 GLU A 33 18.054 28.393 11.528 1.00 71.31 H new ATOM 0 HG3 GLU A 33 16.564 27.919 10.737 1.00 71.31 H new ATOM 452 N PRO A 34 16.128 26.120 15.217 1.00 64.23 N ATOM 453 CA PRO A 34 16.510 25.546 16.510 1.00 24.33 C ATOM 454 C PRO A 34 16.015 24.113 16.678 1.00 43.23 C ATOM 455 O PRO A 34 15.275 23.807 17.613 1.00 71.44 O ATOM 456 CB PRO A 34 15.829 26.469 17.523 1.00 33.13 C ATOM 457 CG PRO A 34 14.671 27.050 16.787 1.00 30.33 C ATOM 458 CD PRO A 34 15.112 27.176 15.355 1.00 11.33 C ATOM 0 HA PRO A 34 17.592 25.488 16.626 1.00 24.33 H new ATOM 0 HB2 PRO A 34 15.502 25.917 18.404 1.00 33.13 H new ATOM 0 HB3 PRO A 34 16.509 27.247 17.869 1.00 33.13 H new ATOM 0 HG2 PRO A 34 13.794 26.408 16.870 1.00 30.33 H new ATOM 0 HG3 PRO A 34 14.395 28.021 17.197 1.00 30.33 H new ATOM 0 HD2 PRO A 34 14.282 27.028 14.664 1.00 11.33 H new ATOM 0 HD3 PRO A 34 15.527 28.162 15.148 1.00 11.33 H new ATOM 466 N CYS A 35 16.429 23.239 15.767 1.00 71.15 N ATOM 467 CA CYS A 35 16.028 21.838 15.813 1.00 51.12 C ATOM 468 C CYS A 35 17.119 20.941 15.236 1.00 20.52 C ATOM 469 O CYS A 35 17.493 19.935 15.838 1.00 3.25 O ATOM 470 CB CYS A 35 14.723 21.634 15.040 1.00 21.34 C ATOM 471 SG CYS A 35 13.243 22.253 15.903 1.00 3.15 S ATOM 0 H CYS A 35 17.042 23.476 14.987 1.00 71.15 H new ATOM 0 HA CYS A 35 15.871 21.565 16.856 1.00 51.12 H new ATOM 0 HB2 CYS A 35 14.803 22.134 14.075 1.00 21.34 H new ATOM 0 HB3 CYS A 35 14.595 20.570 14.839 1.00 21.34 H new ATOM 476 N GLY A 36 17.626 21.312 14.064 1.00 12.34 N ATOM 477 CA GLY A 36 18.669 20.531 13.426 1.00 52.02 C ATOM 478 C GLY A 36 18.296 20.107 12.019 1.00 23.41 C ATOM 479 O GLY A 36 18.882 19.174 11.469 1.00 73.23 O ATOM 0 H GLY A 36 17.333 22.140 13.545 1.00 12.34 H new ATOM 0 HA2 GLY A 36 19.589 21.115 13.395 1.00 52.02 H new ATOM 0 HA3 GLY A 36 18.875 19.645 14.027 1.00 52.02 H new ATOM 483 N PHE A 37 17.318 20.791 11.436 1.00 43.54 N ATOM 484 CA PHE A 37 16.866 20.478 10.085 1.00 42.50 C ATOM 485 C PHE A 37 17.659 21.270 9.049 1.00 51.11 C ATOM 486 O PHE A 37 17.288 21.323 7.877 1.00 72.01 O ATOM 487 CB PHE A 37 15.373 20.781 9.941 1.00 21.32 C ATOM 488 CG PHE A 37 14.498 19.892 10.778 1.00 23.21 C ATOM 489 CD1 PHE A 37 14.222 18.594 10.378 1.00 2.23 C ATOM 490 CD2 PHE A 37 13.952 20.354 11.964 1.00 35.14 C ATOM 491 CE1 PHE A 37 13.418 17.773 11.146 1.00 12.42 C ATOM 492 CE2 PHE A 37 13.147 19.538 12.737 1.00 71.44 C ATOM 493 CZ PHE A 37 12.879 18.246 12.326 1.00 13.35 C ATOM 0 H PHE A 37 16.823 21.566 11.877 1.00 43.54 H new ATOM 0 HA PHE A 37 17.033 19.415 9.910 1.00 42.50 H new ATOM 0 HB2 PHE A 37 15.193 21.820 10.218 1.00 21.32 H new ATOM 0 HB3 PHE A 37 15.088 20.676 8.894 1.00 21.32 H new ATOM 0 HD1 PHE A 37 14.640 18.220 9.455 1.00 2.23 H new ATOM 0 HD2 PHE A 37 14.157 21.363 12.289 1.00 35.14 H new ATOM 0 HE1 PHE A 37 13.212 16.763 10.824 1.00 12.42 H new ATOM 0 HE2 PHE A 37 12.728 19.910 13.661 1.00 71.44 H new ATOM 0 HZ PHE A 37 12.249 17.607 12.927 1.00 13.35 H new ATOM 503 N GLU A 38 18.752 21.884 9.491 1.00 12.04 N ATOM 504 CA GLU A 38 19.596 22.674 8.603 1.00 40.12 C ATOM 505 C GLU A 38 20.605 21.787 7.879 1.00 34.41 C ATOM 506 O GLU A 38 21.111 22.144 6.816 1.00 22.11 O ATOM 507 CB GLU A 38 20.330 23.760 9.392 1.00 30.04 C ATOM 508 CG GLU A 38 21.027 24.785 8.514 1.00 43.01 C ATOM 509 CD GLU A 38 21.471 26.011 9.288 1.00 53.32 C ATOM 510 OE1 GLU A 38 21.207 26.070 10.507 1.00 21.12 O ATOM 511 OE2 GLU A 38 22.081 26.912 8.675 1.00 54.02 O ATOM 0 H GLU A 38 19.073 21.849 10.458 1.00 12.04 H new ATOM 0 HA GLU A 38 18.954 23.146 7.860 1.00 40.12 H new ATOM 0 HB2 GLU A 38 19.617 24.272 10.038 1.00 30.04 H new ATOM 0 HB3 GLU A 38 21.068 23.289 10.042 1.00 30.04 H new ATOM 0 HG2 GLU A 38 21.895 24.324 8.042 1.00 43.01 H new ATOM 0 HG3 GLU A 38 20.353 25.090 7.713 1.00 43.01 H new ATOM 518 N ALA A 39 20.891 20.628 8.464 1.00 42.10 N ATOM 519 CA ALA A 39 21.837 19.689 7.875 1.00 25.32 C ATOM 520 C ALA A 39 21.231 18.984 6.667 1.00 62.44 C ATOM 521 O ALA A 39 21.945 18.388 5.859 1.00 70.11 O ATOM 522 CB ALA A 39 22.285 18.670 8.913 1.00 1.22 C ATOM 0 H ALA A 39 20.481 20.317 9.345 1.00 42.10 H new ATOM 0 HA ALA A 39 22.706 20.252 7.536 1.00 25.32 H new ATOM 0 HB1 ALA A 39 22.991 17.975 8.459 1.00 1.22 H new ATOM 0 HB2 ALA A 39 22.766 19.185 9.745 1.00 1.22 H new ATOM 0 HB3 ALA A 39 21.419 18.119 9.280 1.00 1.22 H new ATOM 528 N THR A 40 19.909 19.054 6.548 1.00 71.01 N ATOM 529 CA THR A 40 19.206 18.421 5.439 1.00 23.10 C ATOM 530 C THR A 40 18.830 19.442 4.372 1.00 41.23 C ATOM 531 O THR A 40 18.578 19.087 3.220 1.00 30.11 O ATOM 532 CB THR A 40 17.931 17.703 5.919 1.00 53.03 C ATOM 533 OG1 THR A 40 18.263 16.719 6.905 1.00 45.43 O ATOM 534 CG2 THR A 40 17.213 17.038 4.754 1.00 44.04 C ATOM 0 H THR A 40 19.303 19.543 7.207 1.00 71.01 H new ATOM 0 HA THR A 40 19.888 17.687 5.010 1.00 23.10 H new ATOM 0 HB THR A 40 17.266 18.447 6.359 1.00 53.03 H new ATOM 0 HG1 THR A 40 17.446 16.269 7.206 1.00 45.43 H new ATOM 0 HG21 THR A 40 16.316 16.537 5.118 1.00 44.04 H new ATOM 0 HG22 THR A 40 16.935 17.793 4.019 1.00 44.04 H new ATOM 0 HG23 THR A 40 17.874 16.306 4.289 1.00 44.04 H new ATOM 542 N TYR A 41 18.795 20.712 4.761 1.00 73.31 N ATOM 543 CA TYR A 41 18.447 21.785 3.837 1.00 24.00 C ATOM 544 C TYR A 41 19.586 22.049 2.856 1.00 12.22 C ATOM 545 O TYR A 41 19.354 22.363 1.688 1.00 64.33 O ATOM 546 CB TYR A 41 18.117 23.064 4.609 1.00 61.33 C ATOM 547 CG TYR A 41 18.000 24.288 3.730 1.00 54.24 C ATOM 548 CD1 TYR A 41 17.298 24.242 2.531 1.00 43.11 C ATOM 549 CD2 TYR A 41 18.590 25.491 4.097 1.00 65.22 C ATOM 550 CE1 TYR A 41 17.189 25.358 1.724 1.00 13.10 C ATOM 551 CE2 TYR A 41 18.485 26.612 3.297 1.00 11.10 C ATOM 552 CZ TYR A 41 17.783 26.541 2.112 1.00 63.24 C ATOM 553 OH TYR A 41 17.677 27.655 1.311 1.00 0.24 O ATOM 0 H TYR A 41 19.003 21.023 5.710 1.00 73.31 H new ATOM 0 HA TYR A 41 17.569 21.473 3.271 1.00 24.00 H new ATOM 0 HB2 TYR A 41 17.180 22.922 5.147 1.00 61.33 H new ATOM 0 HB3 TYR A 41 18.891 23.237 5.357 1.00 61.33 H new ATOM 0 HD1 TYR A 41 16.830 23.318 2.225 1.00 43.11 H new ATOM 0 HD2 TYR A 41 19.140 25.551 5.024 1.00 65.22 H new ATOM 0 HE1 TYR A 41 16.642 25.305 0.794 1.00 13.10 H new ATOM 0 HE2 TYR A 41 18.950 27.539 3.598 1.00 11.10 H new ATOM 0 HH TYR A 41 18.150 28.405 1.729 1.00 0.24 H new ATOM 563 N LEU A 42 20.816 21.920 3.340 1.00 63.22 N ATOM 564 CA LEU A 42 21.993 22.143 2.507 1.00 0.40 C ATOM 565 C LEU A 42 22.495 20.832 1.910 1.00 12.51 C ATOM 566 O LEU A 42 23.455 20.818 1.141 1.00 71.33 O ATOM 567 CB LEU A 42 23.104 22.802 3.326 1.00 1.33 C ATOM 568 CG LEU A 42 22.976 24.311 3.539 1.00 4.13 C ATOM 569 CD1 LEU A 42 24.188 24.849 4.285 1.00 52.45 C ATOM 570 CD2 LEU A 42 22.807 25.025 2.206 1.00 0.44 C ATOM 0 H LEU A 42 21.025 21.662 4.305 1.00 63.22 H new ATOM 0 HA LEU A 42 21.709 22.807 1.691 1.00 0.40 H new ATOM 0 HB2 LEU A 42 23.143 22.319 4.303 1.00 1.33 H new ATOM 0 HB3 LEU A 42 24.057 22.604 2.834 1.00 1.33 H new ATOM 0 HG LEU A 42 22.089 24.500 4.144 1.00 4.13 H new ATOM 0 HD11 LEU A 42 24.080 25.924 4.428 1.00 52.45 H new ATOM 0 HD12 LEU A 42 24.264 24.360 5.256 1.00 52.45 H new ATOM 0 HD13 LEU A 42 25.090 24.649 3.706 1.00 52.45 H new ATOM 0 HD21 LEU A 42 22.717 26.098 2.377 1.00 0.44 H new ATOM 0 HD22 LEU A 42 23.674 24.829 1.576 1.00 0.44 H new ATOM 0 HD23 LEU A 42 21.908 24.660 1.709 1.00 0.44 H new ATOM 582 N GLU A 43 21.837 19.734 2.269 1.00 11.52 N ATOM 583 CA GLU A 43 22.216 18.419 1.767 1.00 23.03 C ATOM 584 C GLU A 43 21.760 18.235 0.323 1.00 54.21 C ATOM 585 O GLU A 43 22.256 17.363 -0.391 1.00 61.11 O ATOM 586 CB GLU A 43 21.616 17.320 2.647 1.00 2.41 C ATOM 587 CG GLU A 43 22.626 16.663 3.573 1.00 73.41 C ATOM 588 CD GLU A 43 23.449 15.597 2.876 1.00 41.25 C ATOM 589 OE1 GLU A 43 22.884 14.536 2.539 1.00 62.13 O ATOM 590 OE2 GLU A 43 24.659 15.826 2.667 1.00 61.35 O ATOM 0 H GLU A 43 21.040 19.729 2.905 1.00 11.52 H new ATOM 0 HA GLU A 43 23.303 18.347 1.798 1.00 23.03 H new ATOM 0 HB2 GLU A 43 20.810 17.745 3.245 1.00 2.41 H new ATOM 0 HB3 GLU A 43 21.171 16.557 2.008 1.00 2.41 H new ATOM 0 HG2 GLU A 43 23.293 17.425 3.977 1.00 73.41 H new ATOM 0 HG3 GLU A 43 22.102 16.217 4.418 1.00 73.41 H new ATOM 597 N LEU A 44 20.810 19.062 -0.101 1.00 4.42 N ATOM 598 CA LEU A 44 20.285 18.992 -1.460 1.00 0.00 C ATOM 599 C LEU A 44 20.253 20.375 -2.104 1.00 33.45 C ATOM 600 O LEU A 44 20.044 20.504 -3.309 1.00 53.13 O ATOM 601 CB LEU A 44 18.880 18.387 -1.454 1.00 62.21 C ATOM 602 CG LEU A 44 17.750 19.317 -1.011 1.00 25.25 C ATOM 603 CD1 LEU A 44 18.094 19.981 0.314 1.00 64.51 C ATOM 604 CD2 LEU A 44 17.472 20.365 -2.078 1.00 64.01 C ATOM 0 H LEU A 44 20.388 19.789 0.477 1.00 4.42 H new ATOM 0 HA LEU A 44 20.946 18.354 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 44 18.656 18.029 -2.459 1.00 62.21 H new ATOM 0 HB3 LEU A 44 18.884 17.516 -0.799 1.00 62.21 H new ATOM 0 HG LEU A 44 16.848 18.721 -0.872 1.00 25.25 H new ATOM 0 HD11 LEU A 44 17.278 20.639 0.614 1.00 64.51 H new ATOM 0 HD12 LEU A 44 18.242 19.216 1.077 1.00 64.51 H new ATOM 0 HD13 LEU A 44 19.008 20.564 0.202 1.00 64.51 H new ATOM 0 HD21 LEU A 44 16.665 21.018 -1.745 1.00 64.01 H new ATOM 0 HD22 LEU A 44 18.371 20.957 -2.249 1.00 64.01 H new ATOM 0 HD23 LEU A 44 17.181 19.872 -3.005 1.00 64.01 H new ATOM 616 N ALA A 45 20.463 21.405 -1.291 1.00 22.11 N ATOM 617 CA ALA A 45 20.462 22.777 -1.782 1.00 5.44 C ATOM 618 C ALA A 45 21.814 23.146 -2.383 1.00 44.20 C ATOM 619 O ALA A 45 21.884 23.803 -3.422 1.00 0.24 O ATOM 620 CB ALA A 45 20.102 23.739 -0.659 1.00 1.10 C ATOM 0 H ALA A 45 20.636 21.315 -0.290 1.00 22.11 H new ATOM 0 HA ALA A 45 19.711 22.855 -2.568 1.00 5.44 H new ATOM 0 HB1 ALA A 45 20.105 24.760 -1.040 1.00 1.10 H new ATOM 0 HB2 ALA A 45 19.110 23.497 -0.277 1.00 1.10 H new ATOM 0 HB3 ALA A 45 20.833 23.649 0.145 1.00 1.10 H new ATOM 626 N SER A 46 22.887 22.720 -1.723 1.00 75.33 N ATOM 627 CA SER A 46 24.237 23.009 -2.191 1.00 1.22 C ATOM 628 C SER A 46 24.372 22.709 -3.680 1.00 64.44 C ATOM 629 O SER A 46 25.122 23.375 -4.394 1.00 31.24 O ATOM 630 CB SER A 46 25.260 22.192 -1.399 1.00 72.01 C ATOM 631 OG SER A 46 24.820 20.856 -1.224 1.00 40.23 O ATOM 0 H SER A 46 22.847 22.174 -0.863 1.00 75.33 H new ATOM 0 HA SER A 46 24.430 24.070 -2.034 1.00 1.22 H new ATOM 0 HB2 SER A 46 26.217 22.198 -1.921 1.00 72.01 H new ATOM 0 HB3 SER A 46 25.425 22.654 -0.426 1.00 72.01 H new ATOM 0 HG SER A 46 24.377 20.769 -0.354 1.00 40.23 H new ATOM 637 N ALA A 47 23.641 21.700 -4.143 1.00 31.01 N ATOM 638 CA ALA A 47 23.677 21.311 -5.547 1.00 52.32 C ATOM 639 C ALA A 47 22.612 22.052 -6.349 1.00 71.22 C ATOM 640 O ALA A 47 22.887 22.580 -7.426 1.00 42.25 O ATOM 641 CB ALA A 47 23.492 19.807 -5.683 1.00 41.25 C ATOM 0 H ALA A 47 23.016 21.137 -3.566 1.00 31.01 H new ATOM 0 HA ALA A 47 24.653 21.583 -5.949 1.00 52.32 H new ATOM 0 HB1 ALA A 47 23.521 19.531 -6.737 1.00 41.25 H new ATOM 0 HB2 ALA A 47 24.292 19.292 -5.151 1.00 41.25 H new ATOM 0 HB3 ALA A 47 22.530 19.519 -5.259 1.00 41.25 H new ATOM 647 N VAL A 48 21.394 22.086 -5.817 1.00 61.34 N ATOM 648 CA VAL A 48 20.287 22.762 -6.484 1.00 25.13 C ATOM 649 C VAL A 48 20.659 24.194 -6.850 1.00 2.42 C ATOM 650 O VAL A 48 20.246 24.709 -7.889 1.00 72.22 O ATOM 651 CB VAL A 48 19.027 22.780 -5.599 1.00 53.42 C ATOM 652 CG1 VAL A 48 18.013 23.779 -6.135 1.00 53.53 C ATOM 653 CG2 VAL A 48 18.420 21.389 -5.509 1.00 35.44 C ATOM 0 H VAL A 48 21.149 21.653 -4.926 1.00 61.34 H new ATOM 0 HA VAL A 48 20.075 22.201 -7.394 1.00 25.13 H new ATOM 0 HB VAL A 48 19.314 23.092 -4.595 1.00 53.42 H new ATOM 0 HG11 VAL A 48 17.129 23.778 -5.497 1.00 53.53 H new ATOM 0 HG12 VAL A 48 18.454 24.776 -6.143 1.00 53.53 H new ATOM 0 HG13 VAL A 48 17.728 23.500 -7.150 1.00 53.53 H new ATOM 0 HG21 VAL A 48 17.531 21.420 -4.880 1.00 35.44 H new ATOM 0 HG22 VAL A 48 18.147 21.046 -6.507 1.00 35.44 H new ATOM 0 HG23 VAL A 48 19.147 20.702 -5.076 1.00 35.44 H new ATOM 663 N LYS A 49 21.443 24.835 -5.989 1.00 20.30 N ATOM 664 CA LYS A 49 21.874 26.208 -6.221 1.00 55.31 C ATOM 665 C LYS A 49 22.606 26.331 -7.553 1.00 41.23 C ATOM 666 O LYS A 49 22.626 27.399 -8.164 1.00 51.22 O ATOM 667 CB LYS A 49 22.781 26.679 -5.083 1.00 2.35 C ATOM 668 CG LYS A 49 23.326 28.083 -5.280 1.00 44.23 C ATOM 669 CD LYS A 49 22.212 29.081 -5.548 1.00 45.35 C ATOM 670 CE LYS A 49 21.201 29.106 -4.413 1.00 2.33 C ATOM 671 NZ LYS A 49 21.837 29.453 -3.112 1.00 11.35 N ATOM 0 H LYS A 49 21.793 24.424 -5.123 1.00 20.30 H new ATOM 0 HA LYS A 49 20.986 26.840 -6.255 1.00 55.31 H new ATOM 0 HB2 LYS A 49 22.224 26.643 -4.147 1.00 2.35 H new ATOM 0 HB3 LYS A 49 23.616 25.985 -4.984 1.00 2.35 H new ATOM 0 HG2 LYS A 49 23.882 28.386 -4.393 1.00 44.23 H new ATOM 0 HG3 LYS A 49 24.029 28.088 -6.113 1.00 44.23 H new ATOM 0 HD2 LYS A 49 22.637 30.076 -5.680 1.00 45.35 H new ATOM 0 HD3 LYS A 49 21.708 28.824 -6.480 1.00 45.35 H new ATOM 0 HE2 LYS A 49 20.419 29.830 -4.639 1.00 2.33 H new ATOM 0 HE3 LYS A 49 20.720 28.131 -4.334 1.00 2.33 H new ATOM 0 HZ1 LYS A 49 21.099 29.626 -2.400 1.00 11.35 H new ATOM 0 HZ2 LYS A 49 22.441 28.666 -2.800 1.00 11.35 H new ATOM 0 HZ3 LYS A 49 22.415 30.310 -3.226 1.00 11.35 H new ATOM 685 N GLU A 50 23.205 25.231 -7.998 1.00 23.12 N ATOM 686 CA GLU A 50 23.938 25.217 -9.258 1.00 41.25 C ATOM 687 C GLU A 50 22.980 25.150 -10.444 1.00 72.31 C ATOM 688 O GLU A 50 23.401 25.207 -11.599 1.00 21.40 O ATOM 689 CB GLU A 50 24.903 24.030 -9.300 1.00 51.32 C ATOM 690 CG GLU A 50 26.023 24.192 -10.314 1.00 4.13 C ATOM 691 CD GLU A 50 26.847 25.444 -10.078 1.00 73.53 C ATOM 692 OE1 GLU A 50 26.846 25.949 -8.937 1.00 15.24 O ATOM 693 OE2 GLU A 50 27.493 25.917 -11.037 1.00 34.13 O ATOM 0 H GLU A 50 23.197 24.338 -7.505 1.00 23.12 H new ATOM 0 HA GLU A 50 24.509 26.143 -9.326 1.00 41.25 H new ATOM 0 HB2 GLU A 50 25.338 23.891 -8.310 1.00 51.32 H new ATOM 0 HB3 GLU A 50 24.342 23.125 -9.532 1.00 51.32 H new ATOM 0 HG2 GLU A 50 26.675 23.319 -10.272 1.00 4.13 H new ATOM 0 HG3 GLU A 50 25.598 24.225 -11.317 1.00 4.13 H new ATOM 700 N GLN A 51 21.690 25.027 -10.148 1.00 53.55 N ATOM 701 CA GLN A 51 20.672 24.951 -11.190 1.00 31.23 C ATOM 702 C GLN A 51 20.188 26.343 -11.581 1.00 52.14 C ATOM 703 O GLN A 51 20.100 26.670 -12.765 1.00 51.40 O ATOM 704 CB GLN A 51 19.491 24.102 -10.716 1.00 71.23 C ATOM 705 CG GLN A 51 19.062 23.043 -11.719 1.00 52.24 C ATOM 706 CD GLN A 51 20.118 21.976 -11.930 1.00 3.51 C ATOM 707 OE1 GLN A 51 21.305 22.207 -11.695 1.00 71.24 O ATOM 708 NE2 GLN A 51 19.692 20.800 -12.375 1.00 12.15 N ATOM 0 H GLN A 51 21.325 24.978 -9.197 1.00 53.55 H new ATOM 0 HA GLN A 51 21.119 24.483 -12.067 1.00 31.23 H new ATOM 0 HB2 GLN A 51 19.757 23.615 -9.778 1.00 71.23 H new ATOM 0 HB3 GLN A 51 18.645 24.756 -10.507 1.00 71.23 H new ATOM 0 HG2 GLN A 51 18.141 22.574 -11.374 1.00 52.24 H new ATOM 0 HG3 GLN A 51 18.838 23.521 -12.673 1.00 52.24 H new ATOM 0 HE21 GLN A 51 18.699 20.653 -12.556 1.00 12.15 H new ATOM 0 HE22 GLN A 51 20.358 20.044 -12.535 1.00 12.15 H new ATOM 717 N TYR A 52 19.875 27.158 -10.580 1.00 52.24 N ATOM 718 CA TYR A 52 19.397 28.515 -10.820 1.00 73.34 C ATOM 719 C TYR A 52 20.007 29.492 -9.821 1.00 3.31 C ATOM 720 O TYR A 52 19.370 29.911 -8.854 1.00 50.13 O ATOM 721 CB TYR A 52 17.871 28.563 -10.731 1.00 15.30 C ATOM 722 CG TYR A 52 17.277 27.449 -9.900 1.00 31.45 C ATOM 723 CD1 TYR A 52 17.568 27.334 -8.546 1.00 0.01 C ATOM 724 CD2 TYR A 52 16.424 26.510 -10.468 1.00 12.42 C ATOM 725 CE1 TYR A 52 17.028 26.317 -7.783 1.00 25.32 C ATOM 726 CE2 TYR A 52 15.878 25.491 -9.712 1.00 64.30 C ATOM 727 CZ TYR A 52 16.184 25.398 -8.370 1.00 61.23 C ATOM 728 OH TYR A 52 15.643 24.384 -7.613 1.00 64.22 O ATOM 0 H TYR A 52 19.944 26.903 -9.595 1.00 52.24 H new ATOM 0 HA TYR A 52 19.705 28.810 -11.823 1.00 73.34 H new ATOM 0 HB2 TYR A 52 17.570 29.521 -10.307 1.00 15.30 H new ATOM 0 HB3 TYR A 52 17.455 28.515 -11.737 1.00 15.30 H new ATOM 0 HD1 TYR A 52 18.228 28.052 -8.082 1.00 0.01 H new ATOM 0 HD2 TYR A 52 16.184 26.578 -11.519 1.00 12.42 H new ATOM 0 HE1 TYR A 52 17.266 26.242 -6.732 1.00 25.32 H new ATOM 0 HE2 TYR A 52 15.215 24.771 -10.169 1.00 64.30 H new ATOM 0 HH TYR A 52 15.070 23.824 -8.178 1.00 64.22 H new ATOM 738 N PRO A 53 21.273 29.866 -10.058 1.00 44.05 N ATOM 739 CA PRO A 53 21.999 30.800 -9.192 1.00 21.50 C ATOM 740 C PRO A 53 21.458 32.222 -9.290 1.00 34.42 C ATOM 741 O PRO A 53 21.854 33.101 -8.526 1.00 40.14 O ATOM 742 CB PRO A 53 23.433 30.736 -9.724 1.00 30.41 C ATOM 743 CG PRO A 53 23.291 30.315 -11.146 1.00 41.10 C ATOM 744 CD PRO A 53 22.094 29.406 -11.192 1.00 12.43 C ATOM 0 HA PRO A 53 21.908 30.533 -8.139 1.00 21.50 H new ATOM 0 HB2 PRO A 53 23.928 31.704 -9.645 1.00 30.41 H new ATOM 0 HB3 PRO A 53 24.034 30.024 -9.158 1.00 30.41 H new ATOM 0 HG2 PRO A 53 23.150 31.178 -11.796 1.00 41.10 H new ATOM 0 HG3 PRO A 53 24.187 29.798 -11.491 1.00 41.10 H new ATOM 0 HD2 PRO A 53 21.559 29.494 -12.137 1.00 12.43 H new ATOM 0 HD3 PRO A 53 22.379 28.360 -11.083 1.00 12.43 H new ATOM 752 N GLY A 54 20.548 32.440 -10.235 1.00 1.20 N ATOM 753 CA GLY A 54 19.967 33.758 -10.415 1.00 31.34 C ATOM 754 C GLY A 54 18.789 34.002 -9.493 1.00 14.21 C ATOM 755 O GLY A 54 18.583 35.121 -9.021 1.00 73.05 O ATOM 0 H GLY A 54 20.203 31.728 -10.879 1.00 1.20 H new ATOM 0 HA2 GLY A 54 20.729 34.516 -10.234 1.00 31.34 H new ATOM 0 HA3 GLY A 54 19.644 33.871 -11.450 1.00 31.34 H new ATOM 759 N ILE A 55 18.013 32.955 -9.237 1.00 34.54 N ATOM 760 CA ILE A 55 16.849 33.061 -8.366 1.00 14.51 C ATOM 761 C ILE A 55 17.249 33.517 -6.967 1.00 32.24 C ATOM 762 O ILE A 55 18.393 33.905 -6.734 1.00 20.55 O ATOM 763 CB ILE A 55 16.098 31.721 -8.262 1.00 60.42 C ATOM 764 CG1 ILE A 55 16.948 30.692 -7.514 1.00 21.13 C ATOM 765 CG2 ILE A 55 15.735 31.208 -9.648 1.00 0.31 C ATOM 766 CD1 ILE A 55 16.310 30.196 -6.235 1.00 72.01 C ATOM 0 H ILE A 55 18.169 32.023 -9.620 1.00 34.54 H new ATOM 0 HA ILE A 55 16.188 33.804 -8.813 1.00 14.51 H new ATOM 0 HB ILE A 55 15.177 31.880 -7.702 1.00 60.42 H new ATOM 0 HG12 ILE A 55 17.136 29.842 -8.170 1.00 21.13 H new ATOM 0 HG13 ILE A 55 17.916 31.134 -7.280 1.00 21.13 H new ATOM 0 HG21 ILE A 55 15.205 30.260 -9.558 1.00 0.31 H new ATOM 0 HG22 ILE A 55 15.096 31.935 -10.149 1.00 0.31 H new ATOM 0 HG23 ILE A 55 16.644 31.061 -10.231 1.00 0.31 H new ATOM 0 HD11 ILE A 55 16.968 29.470 -5.758 1.00 72.01 H new ATOM 0 HD12 ILE A 55 16.147 31.036 -5.560 1.00 72.01 H new ATOM 0 HD13 ILE A 55 15.355 29.724 -6.464 1.00 72.01 H new ATOM 778 N GLU A 56 16.298 33.465 -6.039 1.00 21.12 N ATOM 779 CA GLU A 56 16.553 33.871 -4.662 1.00 13.32 C ATOM 780 C GLU A 56 15.957 32.867 -3.679 1.00 53.41 C ATOM 781 O GLU A 56 14.746 32.847 -3.455 1.00 21.43 O ATOM 782 CB GLU A 56 15.972 35.263 -4.402 1.00 34.34 C ATOM 783 CG GLU A 56 16.958 36.391 -4.654 1.00 34.02 C ATOM 784 CD GLU A 56 16.953 36.859 -6.096 1.00 74.53 C ATOM 785 OE1 GLU A 56 15.888 37.310 -6.569 1.00 64.12 O ATOM 786 OE2 GLU A 56 18.012 36.773 -6.752 1.00 13.00 O ATOM 0 H GLU A 56 15.345 33.146 -6.216 1.00 21.12 H new ATOM 0 HA GLU A 56 17.632 33.902 -4.513 1.00 13.32 H new ATOM 0 HB2 GLU A 56 15.098 35.407 -5.037 1.00 34.34 H new ATOM 0 HB3 GLU A 56 15.628 35.317 -3.369 1.00 34.34 H new ATOM 0 HG2 GLU A 56 16.717 37.231 -4.002 1.00 34.02 H new ATOM 0 HG3 GLU A 56 17.961 36.058 -4.388 1.00 34.02 H new ATOM 793 N ILE A 57 16.815 32.037 -3.097 1.00 63.14 N ATOM 794 CA ILE A 57 16.374 31.031 -2.139 1.00 4.11 C ATOM 795 C ILE A 57 16.889 31.344 -0.738 1.00 21.30 C ATOM 796 O ILE A 57 18.068 31.153 -0.443 1.00 23.10 O ATOM 797 CB ILE A 57 16.846 29.622 -2.544 1.00 41.14 C ATOM 798 CG1 ILE A 57 16.673 28.647 -1.378 1.00 15.20 C ATOM 799 CG2 ILE A 57 18.298 29.660 -2.999 1.00 35.22 C ATOM 800 CD1 ILE A 57 15.273 28.635 -0.803 1.00 43.54 C ATOM 0 H ILE A 57 17.820 32.041 -3.272 1.00 63.14 H new ATOM 0 HA ILE A 57 15.284 31.053 -2.137 1.00 4.11 H new ATOM 0 HB ILE A 57 16.234 29.275 -3.376 1.00 41.14 H new ATOM 0 HG12 ILE A 57 16.928 27.642 -1.714 1.00 15.20 H new ATOM 0 HG13 ILE A 57 17.379 28.907 -0.589 1.00 15.20 H new ATOM 0 HG21 ILE A 57 18.617 28.657 -3.282 1.00 35.22 H new ATOM 0 HG22 ILE A 57 18.393 30.326 -3.856 1.00 35.22 H new ATOM 0 HG23 ILE A 57 18.925 30.024 -2.185 1.00 35.22 H new ATOM 0 HD11 ILE A 57 15.224 27.921 0.019 1.00 43.54 H new ATOM 0 HD12 ILE A 57 15.022 29.630 -0.436 1.00 43.54 H new ATOM 0 HD13 ILE A 57 14.564 28.345 -1.578 1.00 43.54 H new ATOM 812 N GLU A 58 15.996 31.823 0.122 1.00 54.55 N ATOM 813 CA GLU A 58 16.360 32.161 1.492 1.00 2.43 C ATOM 814 C GLU A 58 15.698 31.207 2.482 1.00 1.43 C ATOM 815 O GLU A 58 14.883 30.367 2.101 1.00 0.40 O ATOM 816 CB GLU A 58 15.958 33.603 1.810 1.00 41.21 C ATOM 817 CG GLU A 58 16.594 34.630 0.888 1.00 61.33 C ATOM 818 CD GLU A 58 18.057 34.872 1.205 1.00 70.10 C ATOM 819 OE1 GLU A 58 18.861 33.928 1.058 1.00 33.44 O ATOM 820 OE2 GLU A 58 18.398 36.007 1.600 1.00 73.31 O ATOM 0 H GLU A 58 15.015 31.986 -0.106 1.00 54.55 H new ATOM 0 HA GLU A 58 17.441 32.064 1.587 1.00 2.43 H new ATOM 0 HB2 GLU A 58 14.874 33.692 1.745 1.00 41.21 H new ATOM 0 HB3 GLU A 58 16.236 33.830 2.839 1.00 41.21 H new ATOM 0 HG2 GLU A 58 16.501 34.293 -0.144 1.00 61.33 H new ATOM 0 HG3 GLU A 58 16.049 35.570 0.967 1.00 61.33 H new ATOM 827 N SER A 59 16.055 31.343 3.755 1.00 4.34 N ATOM 828 CA SER A 59 15.500 30.491 4.800 1.00 1.23 C ATOM 829 C SER A 59 14.473 31.252 5.633 1.00 3.44 C ATOM 830 O SER A 59 14.418 32.482 5.598 1.00 32.25 O ATOM 831 CB SER A 59 16.616 29.963 5.704 1.00 60.03 C ATOM 832 OG SER A 59 16.971 30.919 6.688 1.00 33.41 O ATOM 0 H SER A 59 16.726 32.035 4.088 1.00 4.34 H new ATOM 0 HA SER A 59 15.001 29.649 4.321 1.00 1.23 H new ATOM 0 HB2 SER A 59 16.291 29.042 6.188 1.00 60.03 H new ATOM 0 HB3 SER A 59 17.490 29.715 5.101 1.00 60.03 H new ATOM 0 HG SER A 59 17.685 30.557 7.254 1.00 33.41 H new ATOM 838 N ARG A 60 13.662 30.512 6.382 1.00 40.21 N ATOM 839 CA ARG A 60 12.636 31.116 7.223 1.00 11.03 C ATOM 840 C ARG A 60 12.169 30.138 8.297 1.00 12.05 C ATOM 841 O ARG A 60 12.137 28.926 8.078 1.00 52.53 O ATOM 842 CB ARG A 60 11.446 31.562 6.372 1.00 34.11 C ATOM 843 CG ARG A 60 10.504 32.513 7.092 1.00 1.35 C ATOM 844 CD ARG A 60 9.081 32.390 6.571 1.00 41.02 C ATOM 845 NE ARG A 60 8.234 33.488 7.027 1.00 13.35 N ATOM 846 CZ ARG A 60 8.293 34.718 6.530 1.00 42.52 C ATOM 847 NH1 ARG A 60 9.155 35.006 5.564 1.00 23.52 N ATOM 848 NH2 ARG A 60 7.489 35.664 6.998 1.00 52.44 N ATOM 0 H ARG A 60 13.696 29.493 6.423 1.00 40.21 H new ATOM 0 HA ARG A 60 13.070 31.988 7.713 1.00 11.03 H new ATOM 0 HB2 ARG A 60 11.817 32.047 5.469 1.00 34.11 H new ATOM 0 HB3 ARG A 60 10.887 30.682 6.055 1.00 34.11 H new ATOM 0 HG2 ARG A 60 10.520 32.302 8.161 1.00 1.35 H new ATOM 0 HG3 ARG A 60 10.852 33.538 6.964 1.00 1.35 H new ATOM 0 HD2 ARG A 60 9.094 32.371 5.481 1.00 41.02 H new ATOM 0 HD3 ARG A 60 8.655 31.443 6.901 1.00 41.02 H new ATOM 0 HE ARG A 60 7.559 33.300 7.769 1.00 13.35 H new ATOM 0 HH11 ARG A 60 9.775 34.282 5.201 1.00 23.52 H new ATOM 0 HH12 ARG A 60 9.198 35.952 5.184 1.00 23.52 H new ATOM 0 HH21 ARG A 60 6.824 35.447 7.741 1.00 52.44 H new ATOM 0 HH22 ARG A 60 7.536 36.608 6.615 1.00 52.44 H new ATOM 862 N LEU A 61 11.808 30.672 9.459 1.00 21.43 N ATOM 863 CA LEU A 61 11.343 29.846 10.569 1.00 50.33 C ATOM 864 C LEU A 61 9.941 29.311 10.298 1.00 34.33 C ATOM 865 O LEU A 61 9.161 29.923 9.569 1.00 22.43 O ATOM 866 CB LEU A 61 11.351 30.653 11.869 1.00 65.34 C ATOM 867 CG LEU A 61 11.671 29.869 13.142 1.00 3.43 C ATOM 868 CD1 LEU A 61 13.106 29.366 13.113 1.00 21.02 C ATOM 869 CD2 LEU A 61 11.432 30.732 14.373 1.00 74.30 C ATOM 0 H LEU A 61 11.828 31.672 9.657 1.00 21.43 H new ATOM 0 HA LEU A 61 12.022 28.999 10.670 1.00 50.33 H new ATOM 0 HB2 LEU A 61 12.079 31.458 11.769 1.00 65.34 H new ATOM 0 HB3 LEU A 61 10.374 31.120 11.990 1.00 65.34 H new ATOM 0 HG LEU A 61 11.006 29.007 13.192 1.00 3.43 H new ATOM 0 HD11 LEU A 61 13.315 28.810 14.027 1.00 21.02 H new ATOM 0 HD12 LEU A 61 13.245 28.713 12.251 1.00 21.02 H new ATOM 0 HD13 LEU A 61 13.787 30.214 13.040 1.00 21.02 H new ATOM 0 HD21 LEU A 61 11.665 30.158 15.270 1.00 74.30 H new ATOM 0 HD22 LEU A 61 12.072 31.613 14.329 1.00 74.30 H new ATOM 0 HD23 LEU A 61 10.388 31.043 14.402 1.00 74.30 H new ATOM 881 N GLY A 62 9.626 28.164 10.893 1.00 15.03 N ATOM 882 CA GLY A 62 8.316 27.566 10.706 1.00 4.40 C ATOM 883 C GLY A 62 7.515 27.512 11.991 1.00 14.22 C ATOM 884 O GLY A 62 6.360 27.936 12.029 1.00 3.13 O ATOM 0 H GLY A 62 10.254 27.638 11.501 1.00 15.03 H new ATOM 0 HA2 GLY A 62 7.763 28.137 9.960 1.00 4.40 H new ATOM 0 HA3 GLY A 62 8.434 26.556 10.312 1.00 4.40 H new ATOM 888 N GLY A 63 8.127 26.987 13.048 1.00 65.11 N ATOM 889 CA GLY A 63 7.447 26.887 14.326 1.00 64.40 C ATOM 890 C GLY A 63 8.050 25.823 15.222 1.00 63.34 C ATOM 891 O GLY A 63 8.584 26.127 16.289 1.00 42.42 O ATOM 0 H GLY A 63 9.082 26.629 13.042 1.00 65.11 H new ATOM 0 HA2 GLY A 63 7.489 27.851 14.833 1.00 64.40 H new ATOM 0 HA3 GLY A 63 6.394 26.661 14.157 1.00 64.40 H new ATOM 895 N THR A 64 7.965 24.569 14.789 1.00 74.42 N ATOM 896 CA THR A 64 8.503 23.455 15.560 1.00 43.41 C ATOM 897 C THR A 64 8.459 22.159 14.759 1.00 55.10 C ATOM 898 O THR A 64 7.384 21.635 14.467 1.00 44.45 O ATOM 899 CB THR A 64 7.730 23.258 16.877 1.00 1.44 C ATOM 900 OG1 THR A 64 6.498 23.987 16.836 1.00 2.22 O ATOM 901 CG2 THR A 64 8.559 23.721 18.066 1.00 63.01 C ATOM 0 H THR A 64 7.528 24.299 13.908 1.00 74.42 H new ATOM 0 HA THR A 64 9.540 23.702 15.789 1.00 43.41 H new ATOM 0 HB THR A 64 7.519 22.195 16.993 1.00 1.44 H new ATOM 0 HG1 THR A 64 6.012 23.855 17.677 1.00 2.22 H new ATOM 0 HG21 THR A 64 7.992 23.572 18.985 1.00 63.01 H new ATOM 0 HG22 THR A 64 9.483 23.144 18.112 1.00 63.01 H new ATOM 0 HG23 THR A 64 8.797 24.779 17.954 1.00 63.01 H new ATOM 909 N GLY A 65 9.633 21.645 14.407 1.00 3.21 N ATOM 910 CA GLY A 65 9.705 20.413 13.643 1.00 3.33 C ATOM 911 C GLY A 65 8.822 20.442 12.412 1.00 35.02 C ATOM 912 O GLY A 65 7.888 19.650 12.292 1.00 74.32 O ATOM 0 H GLY A 65 10.536 22.060 14.637 1.00 3.21 H new ATOM 0 HA2 GLY A 65 10.737 20.236 13.342 1.00 3.33 H new ATOM 0 HA3 GLY A 65 9.410 19.578 14.278 1.00 3.33 H new ATOM 916 N ALA A 66 9.115 21.359 11.496 1.00 64.31 N ATOM 917 CA ALA A 66 8.341 21.487 10.268 1.00 53.20 C ATOM 918 C ALA A 66 9.253 21.662 9.059 1.00 63.22 C ATOM 919 O ALA A 66 10.467 21.815 9.201 1.00 34.31 O ATOM 920 CB ALA A 66 7.373 22.656 10.374 1.00 11.45 C ATOM 0 H ALA A 66 9.883 22.024 11.581 1.00 64.31 H new ATOM 0 HA ALA A 66 7.771 20.568 10.130 1.00 53.20 H new ATOM 0 HB1 ALA A 66 6.801 22.740 9.450 1.00 11.45 H new ATOM 0 HB2 ALA A 66 6.692 22.490 11.208 1.00 11.45 H new ATOM 0 HB3 ALA A 66 7.932 23.577 10.540 1.00 11.45 H new ATOM 926 N PHE A 67 8.662 21.637 7.869 1.00 42.42 N ATOM 927 CA PHE A 67 9.423 21.791 6.634 1.00 12.32 C ATOM 928 C PHE A 67 8.525 22.273 5.499 1.00 54.24 C ATOM 929 O PHE A 67 8.487 21.671 4.426 1.00 13.41 O ATOM 930 CB PHE A 67 10.084 20.466 6.249 1.00 3.51 C ATOM 931 CG PHE A 67 11.344 20.636 5.449 1.00 22.32 C ATOM 932 CD1 PHE A 67 12.535 20.974 6.071 1.00 2.01 C ATOM 933 CD2 PHE A 67 11.337 20.457 4.075 1.00 4.02 C ATOM 934 CE1 PHE A 67 13.697 21.130 5.338 1.00 14.20 C ATOM 935 CE2 PHE A 67 12.496 20.611 3.337 1.00 14.40 C ATOM 936 CZ PHE A 67 13.676 20.950 3.969 1.00 63.40 C ATOM 0 H PHE A 67 7.659 21.512 7.733 1.00 42.42 H new ATOM 0 HA PHE A 67 10.197 22.539 6.804 1.00 12.32 H new ATOM 0 HB2 PHE A 67 10.311 19.905 7.156 1.00 3.51 H new ATOM 0 HB3 PHE A 67 9.376 19.869 5.674 1.00 3.51 H new ATOM 0 HD1 PHE A 67 12.556 21.117 7.141 1.00 2.01 H new ATOM 0 HD2 PHE A 67 10.416 20.194 3.575 1.00 4.02 H new ATOM 0 HE1 PHE A 67 14.619 21.392 5.835 1.00 14.20 H new ATOM 0 HE2 PHE A 67 12.478 20.466 2.267 1.00 14.40 H new ATOM 0 HZ PHE A 67 14.581 21.074 3.393 1.00 63.40 H new ATOM 946 N GLU A 68 7.803 23.362 5.744 1.00 0.43 N ATOM 947 CA GLU A 68 6.904 23.924 4.743 1.00 0.10 C ATOM 948 C GLU A 68 7.691 24.590 3.618 1.00 71.34 C ATOM 949 O GLU A 68 8.420 25.556 3.843 1.00 25.34 O ATOM 950 CB GLU A 68 5.957 24.939 5.387 1.00 22.25 C ATOM 951 CG GLU A 68 4.908 24.307 6.287 1.00 64.40 C ATOM 952 CD GLU A 68 4.270 25.307 7.231 1.00 20.10 C ATOM 953 OE1 GLU A 68 3.309 25.986 6.813 1.00 35.13 O ATOM 954 OE2 GLU A 68 4.731 25.411 8.387 1.00 44.14 O ATOM 0 H GLU A 68 7.823 23.872 6.627 1.00 0.43 H new ATOM 0 HA GLU A 68 6.318 23.108 4.320 1.00 0.10 H new ATOM 0 HB2 GLU A 68 6.542 25.651 5.969 1.00 22.25 H new ATOM 0 HB3 GLU A 68 5.456 25.505 4.602 1.00 22.25 H new ATOM 0 HG2 GLU A 68 4.134 23.850 5.671 1.00 64.40 H new ATOM 0 HG3 GLU A 68 5.367 23.507 6.868 1.00 64.40 H new ATOM 961 N ILE A 69 7.537 24.066 2.406 1.00 25.33 N ATOM 962 CA ILE A 69 8.233 24.609 1.246 1.00 74.20 C ATOM 963 C ILE A 69 7.434 25.740 0.607 1.00 45.03 C ATOM 964 O ILE A 69 6.223 25.629 0.420 1.00 3.20 O ATOM 965 CB ILE A 69 8.497 23.521 0.188 1.00 5.13 C ATOM 966 CG1 ILE A 69 9.334 22.389 0.788 1.00 34.31 C ATOM 967 CG2 ILE A 69 9.197 24.119 -1.023 1.00 3.31 C ATOM 968 CD1 ILE A 69 9.312 21.120 -0.035 1.00 74.13 C ATOM 0 H ILE A 69 6.937 23.267 2.202 1.00 25.33 H new ATOM 0 HA ILE A 69 9.187 24.997 1.602 1.00 74.20 H new ATOM 0 HB ILE A 69 7.541 23.109 -0.136 1.00 5.13 H new ATOM 0 HG12 ILE A 69 10.365 22.727 0.893 1.00 34.31 H new ATOM 0 HG13 ILE A 69 8.967 22.169 1.791 1.00 34.31 H new ATOM 0 HG21 ILE A 69 9.377 23.338 -1.762 1.00 3.31 H new ATOM 0 HG22 ILE A 69 8.568 24.895 -1.460 1.00 3.31 H new ATOM 0 HG23 ILE A 69 10.148 24.554 -0.716 1.00 3.31 H new ATOM 0 HD11 ILE A 69 9.926 20.361 0.450 1.00 74.13 H new ATOM 0 HD12 ILE A 69 8.287 20.758 -0.119 1.00 74.13 H new ATOM 0 HD13 ILE A 69 9.707 21.325 -1.030 1.00 74.13 H new ATOM 980 N GLU A 70 8.123 26.827 0.272 1.00 73.12 N ATOM 981 CA GLU A 70 7.477 27.978 -0.348 1.00 42.20 C ATOM 982 C GLU A 70 8.201 28.383 -1.629 1.00 12.40 C ATOM 983 O GLU A 70 9.266 29.000 -1.584 1.00 55.41 O ATOM 984 CB GLU A 70 7.443 29.158 0.626 1.00 20.53 C ATOM 985 CG GLU A 70 6.705 28.857 1.920 1.00 52.11 C ATOM 986 CD GLU A 70 6.578 30.074 2.816 1.00 44.13 C ATOM 987 OE1 GLU A 70 7.544 30.864 2.882 1.00 55.02 O ATOM 988 OE2 GLU A 70 5.515 30.237 3.450 1.00 24.53 O ATOM 0 H GLU A 70 9.127 26.934 0.419 1.00 73.12 H new ATOM 0 HA GLU A 70 6.455 27.696 -0.602 1.00 42.20 H new ATOM 0 HB2 GLU A 70 8.465 29.454 0.861 1.00 20.53 H new ATOM 0 HB3 GLU A 70 6.969 30.009 0.137 1.00 20.53 H new ATOM 0 HG2 GLU A 70 5.710 28.477 1.687 1.00 52.11 H new ATOM 0 HG3 GLU A 70 7.230 28.068 2.458 1.00 52.11 H new ATOM 995 N ILE A 71 7.615 28.032 -2.769 1.00 24.53 N ATOM 996 CA ILE A 71 8.203 28.359 -4.062 1.00 24.43 C ATOM 997 C ILE A 71 8.085 29.850 -4.358 1.00 25.12 C ATOM 998 O ILE A 71 8.837 30.394 -5.165 1.00 63.13 O ATOM 999 CB ILE A 71 7.535 27.566 -5.201 1.00 0.23 C ATOM 1000 CG1 ILE A 71 8.190 27.907 -6.541 1.00 30.21 C ATOM 1001 CG2 ILE A 71 6.043 27.859 -5.245 1.00 33.32 C ATOM 1002 CD1 ILE A 71 9.681 27.654 -6.566 1.00 61.34 C ATOM 0 H ILE A 71 6.734 27.521 -2.823 1.00 24.53 H new ATOM 0 HA ILE A 71 9.256 28.084 -4.008 1.00 24.43 H new ATOM 0 HB ILE A 71 7.671 26.501 -5.012 1.00 0.23 H new ATOM 0 HG12 ILE A 71 7.717 27.319 -7.328 1.00 30.21 H new ATOM 0 HG13 ILE A 71 8.004 28.956 -6.771 1.00 30.21 H new ATOM 0 HG21 ILE A 71 5.584 27.292 -6.055 1.00 33.32 H new ATOM 0 HG22 ILE A 71 5.588 27.571 -4.297 1.00 33.32 H new ATOM 0 HG23 ILE A 71 5.886 28.924 -5.414 1.00 33.32 H new ATOM 0 HD11 ILE A 71 10.078 27.918 -7.546 1.00 61.34 H new ATOM 0 HD12 ILE A 71 10.166 28.262 -5.802 1.00 61.34 H new ATOM 0 HD13 ILE A 71 9.875 26.600 -6.368 1.00 61.34 H new ATOM 1014 N ASN A 72 7.137 30.506 -3.697 1.00 22.34 N ATOM 1015 CA ASN A 72 6.921 31.935 -3.888 1.00 3.32 C ATOM 1016 C ASN A 72 6.592 32.618 -2.564 1.00 21.34 C ATOM 1017 O ASN A 72 5.808 33.564 -2.519 1.00 54.32 O ATOM 1018 CB ASN A 72 5.791 32.172 -4.891 1.00 72.22 C ATOM 1019 CG ASN A 72 6.278 32.150 -6.327 1.00 42.51 C ATOM 1020 OD1 ASN A 72 6.342 33.187 -6.988 1.00 42.11 O ATOM 1021 ND2 ASN A 72 6.625 30.966 -6.817 1.00 34.44 N ATOM 0 H ASN A 72 6.506 30.070 -3.024 1.00 22.34 H new ATOM 0 HA ASN A 72 7.842 32.366 -4.280 1.00 3.32 H new ATOM 0 HB2 ASN A 72 5.025 31.408 -4.758 1.00 72.22 H new ATOM 0 HB3 ASN A 72 5.321 33.134 -4.684 1.00 72.22 H new ATOM 0 HD21 ASN A 72 6.961 30.890 -7.777 1.00 34.44 H new ATOM 0 HD22 ASN A 72 6.556 30.132 -6.233 1.00 34.44 H new ATOM 1028 N GLY A 73 7.199 32.130 -1.486 1.00 35.44 N ATOM 1029 CA GLY A 73 6.958 32.704 -0.175 1.00 14.31 C ATOM 1030 C GLY A 73 5.715 32.142 0.485 1.00 35.33 C ATOM 1031 O GLY A 73 5.438 32.431 1.649 1.00 52.21 O ATOM 0 H GLY A 73 7.853 31.348 -1.497 1.00 35.44 H new ATOM 0 HA2 GLY A 73 7.821 32.517 0.464 1.00 14.31 H new ATOM 0 HA3 GLY A 73 6.859 33.785 -0.268 1.00 14.31 H new ATOM 1035 N GLN A 74 4.963 31.337 -0.260 1.00 3.23 N ATOM 1036 CA GLN A 74 3.741 30.735 0.261 1.00 45.23 C ATOM 1037 C GLN A 74 3.816 29.213 0.199 1.00 14.10 C ATOM 1038 O GLN A 74 4.461 28.648 -0.685 1.00 31.42 O ATOM 1039 CB GLN A 74 2.528 31.231 -0.528 1.00 31.24 C ATOM 1040 CG GLN A 74 2.089 32.636 -0.149 1.00 44.32 C ATOM 1041 CD GLN A 74 1.710 32.755 1.314 1.00 43.53 C ATOM 1042 OE1 GLN A 74 2.196 33.637 2.023 1.00 52.31 O ATOM 1043 NE2 GLN A 74 0.838 31.866 1.774 1.00 41.22 N ATOM 0 H GLN A 74 5.178 31.087 -1.225 1.00 3.23 H new ATOM 0 HA GLN A 74 3.634 31.033 1.304 1.00 45.23 H new ATOM 0 HB2 GLN A 74 2.763 31.207 -1.592 1.00 31.24 H new ATOM 0 HB3 GLN A 74 1.696 30.544 -0.370 1.00 31.24 H new ATOM 0 HG2 GLN A 74 2.895 33.336 -0.370 1.00 44.32 H new ATOM 0 HG3 GLN A 74 1.238 32.925 -0.765 1.00 44.32 H new ATOM 0 HE21 GLN A 74 0.461 31.152 1.151 1.00 41.22 H new ATOM 0 HE22 GLN A 74 0.545 31.897 2.751 1.00 41.22 H new ATOM 1052 N LEU A 75 3.152 28.555 1.143 1.00 71.11 N ATOM 1053 CA LEU A 75 3.142 27.097 1.196 1.00 5.05 C ATOM 1054 C LEU A 75 2.473 26.511 -0.042 1.00 61.15 C ATOM 1055 O LEU A 75 1.300 26.773 -0.310 1.00 64.21 O ATOM 1056 CB LEU A 75 2.419 26.618 2.456 1.00 13.00 C ATOM 1057 CG LEU A 75 2.441 25.110 2.710 1.00 13.44 C ATOM 1058 CD1 LEU A 75 3.872 24.599 2.762 1.00 31.41 C ATOM 1059 CD2 LEU A 75 1.706 24.776 4.001 1.00 41.44 C ATOM 0 H LEU A 75 2.614 29.008 1.882 1.00 71.11 H new ATOM 0 HA LEU A 75 4.176 26.752 1.224 1.00 5.05 H new ATOM 0 HB2 LEU A 75 2.862 27.118 3.317 1.00 13.00 H new ATOM 0 HB3 LEU A 75 1.380 26.942 2.400 1.00 13.00 H new ATOM 0 HG LEU A 75 1.929 24.614 1.885 1.00 13.44 H new ATOM 0 HD11 LEU A 75 3.868 23.524 2.944 1.00 31.41 H new ATOM 0 HD12 LEU A 75 4.367 24.805 1.813 1.00 31.41 H new ATOM 0 HD13 LEU A 75 4.409 25.101 3.567 1.00 31.41 H new ATOM 0 HD21 LEU A 75 1.732 23.699 4.166 1.00 41.44 H new ATOM 0 HD22 LEU A 75 2.189 25.283 4.836 1.00 41.44 H new ATOM 0 HD23 LEU A 75 0.670 25.107 3.926 1.00 41.44 H new ATOM 1071 N VAL A 76 3.226 25.714 -0.795 1.00 11.43 N ATOM 1072 CA VAL A 76 2.705 25.088 -2.004 1.00 31.23 C ATOM 1073 C VAL A 76 2.728 23.568 -1.889 1.00 22.22 C ATOM 1074 O VAL A 76 1.950 22.873 -2.543 1.00 22.01 O ATOM 1075 CB VAL A 76 3.511 25.510 -3.247 1.00 14.14 C ATOM 1076 CG1 VAL A 76 2.851 24.988 -4.514 1.00 30.43 C ATOM 1077 CG2 VAL A 76 3.657 27.023 -3.297 1.00 42.42 C ATOM 0 H VAL A 76 4.199 25.487 -0.588 1.00 11.43 H new ATOM 0 HA VAL A 76 1.675 25.426 -2.117 1.00 31.23 H new ATOM 0 HB VAL A 76 4.507 25.073 -3.179 1.00 14.14 H new ATOM 0 HG11 VAL A 76 3.434 25.296 -5.382 1.00 30.43 H new ATOM 0 HG12 VAL A 76 2.802 23.900 -4.477 1.00 30.43 H new ATOM 0 HG13 VAL A 76 1.842 25.394 -4.593 1.00 30.43 H new ATOM 0 HG21 VAL A 76 4.229 27.304 -4.181 1.00 42.42 H new ATOM 0 HG22 VAL A 76 2.670 27.483 -3.342 1.00 42.42 H new ATOM 0 HG23 VAL A 76 4.177 27.368 -2.403 1.00 42.42 H new ATOM 1087 N PHE A 77 3.626 23.057 -1.052 1.00 75.13 N ATOM 1088 CA PHE A 77 3.751 21.618 -0.851 1.00 41.03 C ATOM 1089 C PHE A 77 4.377 21.311 0.506 1.00 15.02 C ATOM 1090 O PHE A 77 5.599 21.255 0.640 1.00 31.11 O ATOM 1091 CB PHE A 77 4.595 20.998 -1.966 1.00 62.44 C ATOM 1092 CG PHE A 77 3.836 20.785 -3.245 1.00 45.11 C ATOM 1093 CD1 PHE A 77 2.768 19.904 -3.294 1.00 64.31 C ATOM 1094 CD2 PHE A 77 4.191 21.467 -4.398 1.00 12.10 C ATOM 1095 CE1 PHE A 77 2.069 19.706 -4.470 1.00 22.13 C ATOM 1096 CE2 PHE A 77 3.495 21.274 -5.576 1.00 71.45 C ATOM 1097 CZ PHE A 77 2.432 20.393 -5.612 1.00 30.41 C ATOM 0 H PHE A 77 4.277 23.618 -0.503 1.00 75.13 H new ATOM 0 HA PHE A 77 2.751 21.184 -0.877 1.00 41.03 H new ATOM 0 HB2 PHE A 77 5.451 21.643 -2.164 1.00 62.44 H new ATOM 0 HB3 PHE A 77 4.989 20.041 -1.623 1.00 62.44 H new ATOM 0 HD1 PHE A 77 2.478 19.366 -2.404 1.00 64.31 H new ATOM 0 HD2 PHE A 77 5.021 22.157 -4.376 1.00 12.10 H new ATOM 0 HE1 PHE A 77 1.240 19.015 -4.496 1.00 22.13 H new ATOM 0 HE2 PHE A 77 3.782 21.812 -6.468 1.00 71.45 H new ATOM 0 HZ PHE A 77 1.886 20.242 -6.531 1.00 30.41 H new ATOM 1107 N SER A 78 3.529 21.114 1.511 1.00 73.33 N ATOM 1108 CA SER A 78 3.997 20.817 2.859 1.00 21.13 C ATOM 1109 C SER A 78 4.644 19.436 2.918 1.00 3.51 C ATOM 1110 O SER A 78 4.227 18.512 2.221 1.00 60.44 O ATOM 1111 CB SER A 78 2.836 20.891 3.853 1.00 4.11 C ATOM 1112 OG SER A 78 1.870 21.841 3.439 1.00 41.23 O ATOM 0 H SER A 78 2.514 21.155 1.416 1.00 73.33 H new ATOM 0 HA SER A 78 4.746 21.562 3.129 1.00 21.13 H new ATOM 0 HB2 SER A 78 2.370 19.910 3.946 1.00 4.11 H new ATOM 0 HB3 SER A 78 3.214 21.159 4.840 1.00 4.11 H new ATOM 0 HG SER A 78 1.115 21.834 4.064 1.00 41.23 H new ATOM 1118 N LYS A 79 5.667 19.305 3.756 1.00 61.22 N ATOM 1119 CA LYS A 79 6.373 18.038 3.909 1.00 43.32 C ATOM 1120 C LYS A 79 5.737 17.189 5.005 1.00 51.43 C ATOM 1121 O LYS A 79 5.560 15.981 4.844 1.00 23.03 O ATOM 1122 CB LYS A 79 7.847 18.289 4.234 1.00 25.14 C ATOM 1123 CG LYS A 79 8.724 17.060 4.069 1.00 64.21 C ATOM 1124 CD LYS A 79 9.842 17.029 5.098 1.00 14.14 C ATOM 1125 CE LYS A 79 10.511 15.664 5.154 1.00 50.50 C ATOM 1126 NZ LYS A 79 11.490 15.482 4.047 1.00 61.51 N ATOM 0 H LYS A 79 6.026 20.061 4.340 1.00 61.22 H new ATOM 0 HA LYS A 79 6.302 17.495 2.967 1.00 43.32 H new ATOM 0 HB2 LYS A 79 8.223 19.083 3.588 1.00 25.14 H new ATOM 0 HB3 LYS A 79 7.928 18.648 5.260 1.00 25.14 H new ATOM 0 HG2 LYS A 79 8.114 16.162 4.166 1.00 64.21 H new ATOM 0 HG3 LYS A 79 9.151 17.049 3.066 1.00 64.21 H new ATOM 0 HD2 LYS A 79 10.584 17.789 4.854 1.00 14.14 H new ATOM 0 HD3 LYS A 79 9.441 17.279 6.080 1.00 14.14 H new ATOM 0 HE2 LYS A 79 11.019 15.547 6.111 1.00 50.50 H new ATOM 0 HE3 LYS A 79 9.751 14.884 5.099 1.00 50.50 H new ATOM 0 HZ1 LYS A 79 11.925 14.540 4.119 1.00 61.51 H new ATOM 0 HZ2 LYS A 79 11.001 15.568 3.133 1.00 61.51 H new ATOM 0 HZ3 LYS A 79 12.229 16.210 4.114 1.00 61.51 H new ATOM 1140 N LEU A 80 5.393 17.829 6.117 1.00 21.32 N ATOM 1141 CA LEU A 80 4.774 17.132 7.240 1.00 42.23 C ATOM 1142 C LEU A 80 3.529 16.375 6.791 1.00 73.22 C ATOM 1143 O LEU A 80 3.131 15.391 7.414 1.00 65.24 O ATOM 1144 CB LEU A 80 4.410 18.126 8.344 1.00 2.21 C ATOM 1145 CG LEU A 80 5.398 18.229 9.507 1.00 41.34 C ATOM 1146 CD1 LEU A 80 6.808 18.468 8.989 1.00 22.53 C ATOM 1147 CD2 LEU A 80 4.984 19.339 10.462 1.00 52.23 C ATOM 0 H LEU A 80 5.532 18.829 6.266 1.00 21.32 H new ATOM 0 HA LEU A 80 5.493 16.412 7.630 1.00 42.23 H new ATOM 0 HB2 LEU A 80 4.304 19.114 7.895 1.00 2.21 H new ATOM 0 HB3 LEU A 80 3.435 17.851 8.745 1.00 2.21 H new ATOM 0 HG LEU A 80 5.388 17.285 10.052 1.00 41.34 H new ATOM 0 HD11 LEU A 80 7.498 18.539 9.830 1.00 22.53 H new ATOM 0 HD12 LEU A 80 7.104 17.640 8.345 1.00 22.53 H new ATOM 0 HD13 LEU A 80 6.834 19.397 8.420 1.00 22.53 H new ATOM 0 HD21 LEU A 80 5.698 19.398 11.283 1.00 52.23 H new ATOM 0 HD22 LEU A 80 4.965 20.289 9.929 1.00 52.23 H new ATOM 0 HD23 LEU A 80 3.991 19.126 10.859 1.00 52.23 H new ATOM 1159 N GLU A 81 2.919 16.840 5.705 1.00 72.21 N ATOM 1160 CA GLU A 81 1.719 16.205 5.172 1.00 21.53 C ATOM 1161 C GLU A 81 2.073 15.219 4.062 1.00 55.31 C ATOM 1162 O GLU A 81 1.660 14.061 4.091 1.00 30.34 O ATOM 1163 CB GLU A 81 0.748 17.261 4.641 1.00 4.45 C ATOM 1164 CG GLU A 81 0.515 18.412 5.606 1.00 53.33 C ATOM 1165 CD GLU A 81 -0.880 18.995 5.491 1.00 53.41 C ATOM 1166 OE1 GLU A 81 -1.819 18.408 6.068 1.00 1.01 O ATOM 1167 OE2 GLU A 81 -1.033 20.040 4.824 1.00 41.14 O ATOM 0 H GLU A 81 3.236 17.653 5.177 1.00 72.21 H new ATOM 0 HA GLU A 81 1.239 15.657 5.982 1.00 21.53 H new ATOM 0 HB2 GLU A 81 1.133 17.658 3.702 1.00 4.45 H new ATOM 0 HB3 GLU A 81 -0.207 16.785 4.418 1.00 4.45 H new ATOM 0 HG2 GLU A 81 0.677 18.064 6.626 1.00 53.33 H new ATOM 0 HG3 GLU A 81 1.249 19.195 5.416 1.00 53.33 H new ATOM 1174 N ASN A 82 2.839 15.690 3.083 1.00 32.22 N ATOM 1175 CA ASN A 82 3.247 14.851 1.962 1.00 42.30 C ATOM 1176 C ASN A 82 3.860 13.544 2.455 1.00 34.12 C ATOM 1177 O ASN A 82 3.400 12.459 2.102 1.00 63.34 O ATOM 1178 CB ASN A 82 4.251 15.597 1.080 1.00 72.32 C ATOM 1179 CG ASN A 82 4.701 14.770 -0.109 1.00 52.14 C ATOM 1180 OD1 ASN A 82 3.961 14.603 -1.079 1.00 31.11 O ATOM 1181 ND2 ASN A 82 5.920 14.248 -0.039 1.00 51.15 N ATOM 0 H ASN A 82 3.189 16.647 3.043 1.00 32.22 H new ATOM 0 HA ASN A 82 2.360 14.616 1.374 1.00 42.30 H new ATOM 0 HB2 ASN A 82 3.800 16.524 0.725 1.00 72.32 H new ATOM 0 HB3 ASN A 82 5.120 15.873 1.677 1.00 72.32 H new ATOM 0 HD21 ASN A 82 6.278 13.683 -0.809 1.00 51.15 H new ATOM 0 HD22 ASN A 82 6.499 14.413 0.785 1.00 51.15 H new ATOM 1188 N GLY A 83 4.900 13.656 3.276 1.00 41.25 N ATOM 1189 CA GLY A 83 5.558 12.476 3.805 1.00 43.13 C ATOM 1190 C GLY A 83 7.065 12.536 3.653 1.00 24.14 C ATOM 1191 O GLY A 83 7.774 11.617 4.061 1.00 22.22 O ATOM 0 H GLY A 83 5.298 14.543 3.584 1.00 41.25 H new ATOM 0 HA2 GLY A 83 5.306 12.365 4.860 1.00 43.13 H new ATOM 0 HA3 GLY A 83 5.179 11.592 3.292 1.00 43.13 H new ATOM 1236 N TYR A 87 12.946 15.514 -4.033 1.00 51.35 N ATOM 1237 CA TYR A 87 13.606 15.143 -5.279 1.00 50.05 C ATOM 1238 C TYR A 87 14.172 16.373 -5.983 1.00 70.54 C ATOM 1239 O TYR A 87 13.529 17.421 -6.037 1.00 64.51 O ATOM 1240 CB TYR A 87 12.626 14.418 -6.204 1.00 2.22 C ATOM 1241 CG TYR A 87 11.891 13.280 -5.534 1.00 32.35 C ATOM 1242 CD1 TYR A 87 12.533 12.078 -5.260 1.00 35.02 C ATOM 1243 CD2 TYR A 87 10.554 13.405 -5.175 1.00 5.11 C ATOM 1244 CE1 TYR A 87 11.865 11.035 -4.648 1.00 74.33 C ATOM 1245 CE2 TYR A 87 9.879 12.368 -4.562 1.00 21.33 C ATOM 1246 CZ TYR A 87 10.538 11.185 -4.301 1.00 23.43 C ATOM 1247 OH TYR A 87 9.869 10.148 -3.691 1.00 54.43 O ATOM 0 HA TYR A 87 14.431 14.473 -5.038 1.00 50.05 H new ATOM 0 HB2 TYR A 87 11.899 15.136 -6.583 1.00 2.22 H new ATOM 0 HB3 TYR A 87 13.171 14.031 -7.065 1.00 2.22 H new ATOM 0 HD1 TYR A 87 13.572 11.957 -5.530 1.00 35.02 H new ATOM 0 HD2 TYR A 87 10.034 14.329 -5.379 1.00 5.11 H new ATOM 0 HE1 TYR A 87 12.379 10.107 -4.442 1.00 74.33 H new ATOM 0 HE2 TYR A 87 8.841 12.483 -4.288 1.00 21.33 H new ATOM 0 HH TYR A 87 8.944 10.416 -3.512 1.00 54.43 H new ATOM 1257 N GLU A 88 15.379 16.234 -6.522 1.00 43.44 N ATOM 1258 CA GLU A 88 16.033 17.334 -7.223 1.00 74.32 C ATOM 1259 C GLU A 88 15.118 17.914 -8.298 1.00 14.14 C ATOM 1260 O GLU A 88 15.080 19.127 -8.509 1.00 33.52 O ATOM 1261 CB GLU A 88 17.342 16.858 -7.856 1.00 2.14 C ATOM 1262 CG GLU A 88 18.016 17.908 -8.722 1.00 44.51 C ATOM 1263 CD GLU A 88 19.480 17.604 -8.976 1.00 20.22 C ATOM 1264 OE1 GLU A 88 20.309 17.898 -8.089 1.00 31.20 O ATOM 1265 OE2 GLU A 88 19.797 17.072 -10.060 1.00 74.12 O ATOM 0 H GLU A 88 15.924 15.372 -6.487 1.00 43.44 H new ATOM 0 HA GLU A 88 16.252 18.115 -6.495 1.00 74.32 H new ATOM 0 HB2 GLU A 88 18.029 16.555 -7.066 1.00 2.14 H new ATOM 0 HB3 GLU A 88 17.143 15.974 -8.461 1.00 2.14 H new ATOM 0 HG2 GLU A 88 17.493 17.977 -9.676 1.00 44.51 H new ATOM 0 HG3 GLU A 88 17.930 18.881 -8.239 1.00 44.51 H new ATOM 1272 N LYS A 89 14.381 17.040 -8.975 1.00 24.31 N ATOM 1273 CA LYS A 89 13.465 17.463 -10.027 1.00 63.25 C ATOM 1274 C LYS A 89 12.181 18.033 -9.434 1.00 40.12 C ATOM 1275 O LYS A 89 11.494 18.833 -10.070 1.00 3.11 O ATOM 1276 CB LYS A 89 13.136 16.286 -10.948 1.00 75.14 C ATOM 1277 CG LYS A 89 12.340 15.185 -10.268 1.00 1.40 C ATOM 1278 CD LYS A 89 12.540 13.846 -10.956 1.00 71.45 C ATOM 1279 CE LYS A 89 13.891 13.238 -10.612 1.00 41.12 C ATOM 1280 NZ LYS A 89 14.084 11.911 -11.260 1.00 41.44 N ATOM 0 H LYS A 89 14.400 16.033 -8.813 1.00 24.31 H new ATOM 0 HA LYS A 89 13.954 18.245 -10.608 1.00 63.25 H new ATOM 0 HB2 LYS A 89 12.573 16.653 -11.806 1.00 75.14 H new ATOM 0 HB3 LYS A 89 14.065 15.866 -11.333 1.00 75.14 H new ATOM 0 HG2 LYS A 89 12.643 15.107 -9.224 1.00 1.40 H new ATOM 0 HG3 LYS A 89 11.281 15.444 -10.274 1.00 1.40 H new ATOM 0 HD2 LYS A 89 11.746 13.161 -10.659 1.00 71.45 H new ATOM 0 HD3 LYS A 89 12.462 13.975 -12.036 1.00 71.45 H new ATOM 0 HE2 LYS A 89 14.685 13.915 -10.928 1.00 41.12 H new ATOM 0 HE3 LYS A 89 13.976 13.130 -9.531 1.00 41.12 H new ATOM 0 HZ1 LYS A 89 15.016 11.530 -11.001 1.00 41.44 H new ATOM 0 HZ2 LYS A 89 13.342 11.257 -10.940 1.00 41.44 H new ATOM 0 HZ3 LYS A 89 14.029 12.018 -12.293 1.00 41.44 H new ATOM 1294 N ASP A 90 11.864 17.618 -8.213 1.00 34.20 N ATOM 1295 CA ASP A 90 10.663 18.090 -7.533 1.00 31.51 C ATOM 1296 C ASP A 90 10.869 19.496 -6.980 1.00 11.23 C ATOM 1297 O ASP A 90 9.908 20.192 -6.650 1.00 14.03 O ATOM 1298 CB ASP A 90 10.283 17.134 -6.401 1.00 61.51 C ATOM 1299 CG ASP A 90 9.146 17.666 -5.551 1.00 23.42 C ATOM 1300 OD1 ASP A 90 8.221 18.284 -6.117 1.00 62.34 O ATOM 1301 OD2 ASP A 90 9.182 17.465 -4.319 1.00 22.45 O ATOM 0 H ASP A 90 12.422 16.956 -7.673 1.00 34.20 H new ATOM 0 HA ASP A 90 9.852 18.120 -8.260 1.00 31.51 H new ATOM 0 HB2 ASP A 90 9.997 16.171 -6.823 1.00 61.51 H new ATOM 0 HB3 ASP A 90 11.154 16.959 -5.769 1.00 61.51 H new ATOM 1306 N LEU A 91 12.128 19.909 -6.880 1.00 32.50 N ATOM 1307 CA LEU A 91 12.461 21.232 -6.365 1.00 53.45 C ATOM 1308 C LEU A 91 12.601 22.239 -7.503 1.00 0.12 C ATOM 1309 O LEU A 91 12.433 23.443 -7.304 1.00 30.44 O ATOM 1310 CB LEU A 91 13.758 21.175 -5.557 1.00 12.43 C ATOM 1311 CG LEU A 91 13.711 20.351 -4.270 1.00 14.14 C ATOM 1312 CD1 LEU A 91 14.993 19.551 -4.101 1.00 73.31 C ATOM 1313 CD2 LEU A 91 13.481 21.254 -3.066 1.00 62.12 C ATOM 0 H LEU A 91 12.935 19.346 -7.149 1.00 32.50 H new ATOM 0 HA LEU A 91 11.649 21.557 -5.714 1.00 53.45 H new ATOM 0 HB2 LEU A 91 14.543 20.770 -6.196 1.00 12.43 H new ATOM 0 HB3 LEU A 91 14.049 22.194 -5.302 1.00 12.43 H new ATOM 0 HG LEU A 91 12.877 19.652 -4.339 1.00 14.14 H new ATOM 0 HD11 LEU A 91 14.941 18.971 -3.180 1.00 73.31 H new ATOM 0 HD12 LEU A 91 15.115 18.876 -4.948 1.00 73.31 H new ATOM 0 HD13 LEU A 91 15.843 20.232 -4.054 1.00 73.31 H new ATOM 0 HD21 LEU A 91 13.450 20.650 -2.159 1.00 62.12 H new ATOM 0 HD22 LEU A 91 14.293 21.977 -2.993 1.00 62.12 H new ATOM 0 HD23 LEU A 91 12.534 21.782 -3.183 1.00 62.12 H new ATOM 1325 N ILE A 92 12.908 21.738 -8.695 1.00 13.43 N ATOM 1326 CA ILE A 92 13.067 22.594 -9.864 1.00 71.11 C ATOM 1327 C ILE A 92 11.763 22.702 -10.648 1.00 22.22 C ATOM 1328 O ILE A 92 11.584 23.618 -11.450 1.00 24.40 O ATOM 1329 CB ILE A 92 14.173 22.069 -10.799 1.00 12.41 C ATOM 1330 CG1 ILE A 92 14.423 23.062 -11.936 1.00 53.11 C ATOM 1331 CG2 ILE A 92 13.794 20.704 -11.354 1.00 1.43 C ATOM 1332 CD1 ILE A 92 15.890 23.307 -12.213 1.00 75.21 C ATOM 0 H ILE A 92 13.051 20.745 -8.876 1.00 13.43 H new ATOM 0 HA ILE A 92 13.350 23.581 -9.497 1.00 71.11 H new ATOM 0 HB ILE A 92 15.094 21.963 -10.225 1.00 12.41 H new ATOM 0 HG12 ILE A 92 13.947 22.690 -12.843 1.00 53.11 H new ATOM 0 HG13 ILE A 92 13.945 24.010 -11.691 1.00 53.11 H new ATOM 0 HG21 ILE A 92 14.585 20.347 -12.013 1.00 1.43 H new ATOM 0 HG22 ILE A 92 13.661 20.001 -10.532 1.00 1.43 H new ATOM 0 HG23 ILE A 92 12.863 20.785 -11.916 1.00 1.43 H new ATOM 0 HD11 ILE A 92 15.992 24.021 -13.031 1.00 75.21 H new ATOM 0 HD12 ILE A 92 16.367 23.709 -11.319 1.00 75.21 H new ATOM 0 HD13 ILE A 92 16.370 22.368 -12.489 1.00 75.21 H new ATOM 1344 N GLU A 93 10.855 21.761 -10.408 1.00 1.02 N ATOM 1345 CA GLU A 93 9.567 21.752 -11.091 1.00 71.31 C ATOM 1346 C GLU A 93 8.665 22.866 -10.567 1.00 62.22 C ATOM 1347 O GLU A 93 7.600 23.130 -11.124 1.00 32.43 O ATOM 1348 CB GLU A 93 8.879 20.397 -10.911 1.00 60.24 C ATOM 1349 CG GLU A 93 8.312 20.182 -9.518 1.00 53.32 C ATOM 1350 CD GLU A 93 7.680 18.814 -9.350 1.00 24.12 C ATOM 1351 OE1 GLU A 93 8.199 17.844 -9.940 1.00 62.33 O ATOM 1352 OE2 GLU A 93 6.667 18.714 -8.627 1.00 21.24 O ATOM 0 H GLU A 93 10.988 20.996 -9.746 1.00 1.02 H new ATOM 0 HA GLU A 93 9.746 21.923 -12.153 1.00 71.31 H new ATOM 0 HB2 GLU A 93 8.073 20.309 -11.640 1.00 60.24 H new ATOM 0 HB3 GLU A 93 9.594 19.604 -11.129 1.00 60.24 H new ATOM 0 HG2 GLU A 93 9.108 20.303 -8.783 1.00 53.32 H new ATOM 0 HG3 GLU A 93 7.567 20.950 -9.310 1.00 53.32 H new ATOM 1359 N ALA A 94 9.101 23.515 -9.493 1.00 14.43 N ATOM 1360 CA ALA A 94 8.335 24.601 -8.894 1.00 54.41 C ATOM 1361 C ALA A 94 8.620 25.926 -9.595 1.00 32.55 C ATOM 1362 O ALA A 94 7.698 26.645 -9.982 1.00 22.43 O ATOM 1363 CB ALA A 94 8.645 24.710 -7.409 1.00 5.24 C ATOM 0 H ALA A 94 9.980 23.308 -9.020 1.00 14.43 H new ATOM 0 HA ALA A 94 7.276 24.375 -9.017 1.00 54.41 H new ATOM 0 HB1 ALA A 94 8.066 25.525 -6.975 1.00 5.24 H new ATOM 0 HB2 ALA A 94 8.384 23.775 -6.913 1.00 5.24 H new ATOM 0 HB3 ALA A 94 9.708 24.908 -7.273 1.00 5.24 H new ATOM 1369 N ILE A 95 9.901 26.242 -9.753 1.00 75.33 N ATOM 1370 CA ILE A 95 10.306 27.479 -10.408 1.00 11.54 C ATOM 1371 C ILE A 95 10.056 27.414 -11.910 1.00 40.25 C ATOM 1372 O ILE A 95 9.899 28.442 -12.569 1.00 40.41 O ATOM 1373 CB ILE A 95 11.794 27.786 -10.159 1.00 5.41 C ATOM 1374 CG1 ILE A 95 12.670 26.661 -10.715 1.00 55.44 C ATOM 1375 CG2 ILE A 95 12.054 27.981 -8.672 1.00 61.25 C ATOM 1376 CD1 ILE A 95 13.271 26.976 -12.067 1.00 74.14 C ATOM 0 H ILE A 95 10.676 25.659 -9.436 1.00 75.33 H new ATOM 0 HA ILE A 95 9.701 28.277 -9.977 1.00 11.54 H new ATOM 0 HB ILE A 95 12.050 28.710 -10.677 1.00 5.41 H new ATOM 0 HG12 ILE A 95 13.474 26.454 -10.008 1.00 55.44 H new ATOM 0 HG13 ILE A 95 12.073 25.752 -10.794 1.00 55.44 H new ATOM 0 HG21 ILE A 95 13.110 28.197 -8.513 1.00 61.25 H new ATOM 0 HG22 ILE A 95 11.454 28.813 -8.304 1.00 61.25 H new ATOM 0 HG23 ILE A 95 11.784 27.073 -8.133 1.00 61.25 H new ATOM 0 HD11 ILE A 95 13.879 26.135 -12.400 1.00 74.14 H new ATOM 0 HD12 ILE A 95 12.473 27.154 -12.788 1.00 74.14 H new ATOM 0 HD13 ILE A 95 13.895 27.867 -11.989 1.00 74.14 H new ATOM 1388 N ARG A 96 10.019 26.199 -12.446 1.00 73.43 N ATOM 1389 CA ARG A 96 9.787 25.999 -13.872 1.00 20.12 C ATOM 1390 C ARG A 96 8.378 26.436 -14.260 1.00 35.20 C ATOM 1391 O ARG A 96 8.160 26.969 -15.348 1.00 72.32 O ATOM 1392 CB ARG A 96 9.998 24.530 -14.243 1.00 73.14 C ATOM 1393 CG ARG A 96 10.465 24.325 -15.675 1.00 62.11 C ATOM 1394 CD ARG A 96 9.290 24.176 -16.629 1.00 3.21 C ATOM 1395 NE ARG A 96 8.656 22.866 -16.515 1.00 74.24 N ATOM 1396 CZ ARG A 96 7.426 22.605 -16.946 1.00 64.22 C ATOM 1397 NH1 ARG A 96 6.704 23.559 -17.516 1.00 73.15 N ATOM 1398 NH2 ARG A 96 6.918 21.387 -16.807 1.00 40.03 N ATOM 0 H ARG A 96 10.147 25.338 -11.915 1.00 73.43 H new ATOM 0 HA ARG A 96 10.502 26.612 -14.421 1.00 20.12 H new ATOM 0 HB2 ARG A 96 10.732 24.094 -13.565 1.00 73.14 H new ATOM 0 HB3 ARG A 96 9.064 23.988 -14.093 1.00 73.14 H new ATOM 0 HG2 ARG A 96 11.080 25.171 -15.983 1.00 62.11 H new ATOM 0 HG3 ARG A 96 11.094 23.437 -15.730 1.00 62.11 H new ATOM 0 HD2 ARG A 96 8.555 24.954 -16.423 1.00 3.21 H new ATOM 0 HD3 ARG A 96 9.633 24.325 -17.653 1.00 3.21 H new ATOM 0 HE ARG A 96 9.186 22.110 -16.081 1.00 74.24 H new ATOM 0 HH11 ARG A 96 7.092 24.496 -17.625 1.00 73.15 H new ATOM 0 HH12 ARG A 96 5.760 23.356 -17.846 1.00 73.15 H new ATOM 0 HH21 ARG A 96 7.471 20.651 -16.369 1.00 40.03 H new ATOM 0 HH22 ARG A 96 5.974 21.187 -17.138 1.00 40.03 H new ATOM 1412 N ARG A 97 7.424 26.206 -13.363 1.00 62.10 N ATOM 1413 CA ARG A 97 6.036 26.574 -13.612 1.00 73.03 C ATOM 1414 C ARG A 97 5.721 27.944 -13.018 1.00 22.43 C ATOM 1415 O ARG A 97 4.895 28.686 -13.547 1.00 42.33 O ATOM 1416 CB ARG A 97 5.093 25.522 -13.024 1.00 45.21 C ATOM 1417 CG ARG A 97 5.223 24.155 -13.676 1.00 41.44 C ATOM 1418 CD ARG A 97 4.418 23.103 -12.929 1.00 45.25 C ATOM 1419 NE ARG A 97 2.981 23.338 -13.033 1.00 12.23 N ATOM 1420 CZ ARG A 97 2.259 23.020 -14.102 1.00 1.53 C ATOM 1421 NH1 ARG A 97 2.838 22.457 -15.153 1.00 40.20 N ATOM 1422 NH2 ARG A 97 0.955 23.266 -14.120 1.00 61.22 N ATOM 0 H ARG A 97 7.588 25.766 -12.457 1.00 62.10 H new ATOM 0 HA ARG A 97 5.888 26.622 -14.691 1.00 73.03 H new ATOM 0 HB2 ARG A 97 5.290 25.426 -11.956 1.00 45.21 H new ATOM 0 HB3 ARG A 97 4.065 25.869 -13.129 1.00 45.21 H new ATOM 0 HG2 ARG A 97 4.882 24.210 -14.710 1.00 41.44 H new ATOM 0 HG3 ARG A 97 6.272 23.861 -13.702 1.00 41.44 H new ATOM 0 HD2 ARG A 97 4.654 22.116 -13.327 1.00 45.25 H new ATOM 0 HD3 ARG A 97 4.710 23.101 -11.879 1.00 45.25 H new ATOM 0 HE ARG A 97 2.505 23.770 -12.241 1.00 12.23 H new ATOM 0 HH11 ARG A 97 3.840 22.267 -15.142 1.00 40.20 H new ATOM 0 HH12 ARG A 97 2.281 22.214 -15.972 1.00 40.20 H new ATOM 0 HH21 ARG A 97 0.507 23.699 -13.313 1.00 61.22 H new ATOM 0 HH22 ARG A 97 0.401 23.022 -14.941 1.00 61.22 H new ATOM 1436 N ALA A 98 6.385 28.270 -11.914 1.00 4.40 N ATOM 1437 CA ALA A 98 6.178 29.551 -11.248 1.00 71.54 C ATOM 1438 C ALA A 98 6.608 30.710 -12.141 1.00 63.50 C ATOM 1439 O ALA A 98 5.861 31.669 -12.332 1.00 62.11 O ATOM 1440 CB ALA A 98 6.935 29.588 -9.929 1.00 42.33 C ATOM 0 H ALA A 98 7.071 27.665 -11.462 1.00 4.40 H new ATOM 0 HA ALA A 98 5.112 29.660 -11.045 1.00 71.54 H new ATOM 0 HB1 ALA A 98 6.772 30.550 -9.443 1.00 42.33 H new ATOM 0 HB2 ALA A 98 6.576 28.788 -9.281 1.00 42.33 H new ATOM 0 HB3 ALA A 98 8.000 29.453 -10.117 1.00 42.33 H new ATOM 1446 N SER A 99 7.817 30.614 -12.685 1.00 5.33 N ATOM 1447 CA SER A 99 8.349 31.658 -13.554 1.00 21.41 C ATOM 1448 C SER A 99 7.670 31.625 -14.920 1.00 13.24 C ATOM 1449 O SER A 99 7.790 32.563 -15.707 1.00 32.21 O ATOM 1450 CB SER A 99 9.861 31.491 -13.720 1.00 11.54 C ATOM 1451 OG SER A 99 10.314 32.110 -14.911 1.00 62.13 O ATOM 0 H SER A 99 8.446 29.825 -12.540 1.00 5.33 H new ATOM 0 HA SER A 99 8.146 32.623 -13.089 1.00 21.41 H new ATOM 0 HB2 SER A 99 10.374 31.926 -12.862 1.00 11.54 H new ATOM 0 HB3 SER A 99 10.113 30.431 -13.739 1.00 11.54 H new ATOM 0 HG SER A 99 9.568 32.579 -15.340 1.00 62.13 H new ATOM 1457 N ASN A 100 6.956 30.538 -15.193 1.00 14.04 N ATOM 1458 CA ASN A 100 6.257 30.382 -16.463 1.00 72.32 C ATOM 1459 C ASN A 100 5.109 31.380 -16.579 1.00 35.42 C ATOM 1460 O ASN A 100 4.736 31.789 -17.678 1.00 23.04 O ATOM 1461 CB ASN A 100 5.723 28.955 -16.603 1.00 63.44 C ATOM 1462 CG ASN A 100 5.530 28.549 -18.052 1.00 1.31 C ATOM 1463 OD1 ASN A 100 5.830 29.315 -18.968 1.00 0.43 O ATOM 1464 ND2 ASN A 100 5.026 27.339 -18.265 1.00 45.23 N ATOM 0 H ASN A 100 6.846 29.752 -14.552 1.00 14.04 H new ATOM 0 HA ASN A 100 6.967 30.578 -17.266 1.00 72.32 H new ATOM 0 HB2 ASN A 100 6.415 28.262 -16.124 1.00 63.44 H new ATOM 0 HB3 ASN A 100 4.773 28.872 -16.076 1.00 63.44 H new ATOM 0 HD21 ASN A 100 4.873 27.011 -19.219 1.00 45.23 H new ATOM 0 HD22 ASN A 100 4.792 26.738 -17.475 1.00 45.23 H new