USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 583 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 SER OG : rot 91:sc= 0.223 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= -0.665 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -151:sc= -1.02 (180deg=-1.98!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot -121:sc= -1.88! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc=-0.000665 USER MOD Single : A 72 ASN : amide:sc= -6.2! C(o=-6.2!,f=-4.9!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 149:sc= -3.74! USER MOD Single : A 79 LYS NZ :NH3+ -130:sc= 1.1 (180deg=-0.733) USER MOD Single : A 82 ASN : amide:sc= -0.153 X(o=-0.15,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 16:sc= 0.231! USER MOD Single : A 100 ASN : amide:sc=-0.00429 X(o=-0.0043,f=0.34) USER MOD ----------------------------------------------------------------- ATOM 246 N GLU A 20 17.858 23.299 -15.983 1.00 21.21 N ATOM 247 CA GLU A 20 17.264 23.895 -14.792 1.00 72.02 C ATOM 248 C GLU A 20 15.959 24.609 -15.135 1.00 23.14 C ATOM 249 O GLU A 20 15.890 25.837 -15.187 1.00 15.00 O ATOM 250 CB GLU A 20 18.241 24.878 -14.145 1.00 3.21 C ATOM 251 CG GLU A 20 18.874 25.846 -15.131 1.00 32.21 C ATOM 252 CD GLU A 20 20.088 25.261 -15.825 1.00 62.42 C ATOM 253 OE1 GLU A 20 20.908 24.613 -15.142 1.00 21.51 O ATOM 254 OE2 GLU A 20 20.218 25.451 -17.053 1.00 21.03 O ATOM 0 HA GLU A 20 17.046 23.094 -14.086 1.00 72.02 H new ATOM 0 HB2 GLU A 20 17.716 25.446 -13.377 1.00 3.21 H new ATOM 0 HB3 GLU A 20 19.029 24.317 -13.643 1.00 3.21 H new ATOM 0 HG2 GLU A 20 18.135 26.132 -15.879 1.00 32.21 H new ATOM 0 HG3 GLU A 20 19.164 26.756 -14.606 1.00 32.21 H new ATOM 261 N PRO A 21 14.900 23.822 -15.374 1.00 72.11 N ATOM 262 CA PRO A 21 13.578 24.356 -15.716 1.00 1.04 C ATOM 263 C PRO A 21 12.914 25.058 -14.536 1.00 32.30 C ATOM 264 O PRO A 21 12.253 26.082 -14.702 1.00 44.23 O ATOM 265 CB PRO A 21 12.784 23.109 -16.113 1.00 14.42 C ATOM 266 CG PRO A 21 13.452 21.989 -15.394 1.00 2.03 C ATOM 267 CD PRO A 21 14.911 22.350 -15.329 1.00 55.13 C ATOM 0 HA PRO A 21 13.633 25.110 -16.501 1.00 1.04 H new ATOM 0 HB2 PRO A 21 11.737 23.197 -15.822 1.00 14.42 H new ATOM 0 HB3 PRO A 21 12.803 22.954 -17.192 1.00 14.42 H new ATOM 0 HG2 PRO A 21 13.036 21.864 -14.394 1.00 2.03 H new ATOM 0 HG3 PRO A 21 13.306 21.046 -15.920 1.00 2.03 H new ATOM 0 HD2 PRO A 21 15.376 21.979 -14.416 1.00 55.13 H new ATOM 0 HD3 PRO A 21 15.468 21.926 -16.165 1.00 55.13 H new ATOM 275 N GLY A 22 13.094 24.499 -13.343 1.00 32.11 N ATOM 276 CA GLY A 22 12.506 25.085 -12.153 1.00 13.22 C ATOM 277 C GLY A 22 12.903 26.536 -11.964 1.00 60.21 C ATOM 278 O GLY A 22 12.214 27.291 -11.279 1.00 11.14 O ATOM 0 H GLY A 22 13.637 23.651 -13.180 1.00 32.11 H new ATOM 0 HA2 GLY A 22 11.420 25.014 -12.215 1.00 13.22 H new ATOM 0 HA3 GLY A 22 12.813 24.511 -11.279 1.00 13.22 H new ATOM 282 N SER A 23 14.019 26.926 -12.572 1.00 54.13 N ATOM 283 CA SER A 23 14.510 28.295 -12.463 1.00 72.24 C ATOM 284 C SER A 23 13.403 29.296 -12.781 1.00 23.02 C ATOM 285 O SER A 23 12.649 29.122 -13.737 1.00 41.42 O ATOM 286 CB SER A 23 15.694 28.510 -13.407 1.00 44.52 C ATOM 287 OG SER A 23 16.658 27.481 -13.260 1.00 55.43 O ATOM 0 H SER A 23 14.600 26.314 -13.145 1.00 54.13 H new ATOM 0 HA SER A 23 14.838 28.457 -11.436 1.00 72.24 H new ATOM 0 HB2 SER A 23 15.341 28.537 -14.438 1.00 44.52 H new ATOM 0 HB3 SER A 23 16.155 29.476 -13.203 1.00 44.52 H new ATOM 0 HG SER A 23 16.455 26.752 -13.882 1.00 55.43 H new ATOM 293 N GLY A 24 13.313 30.346 -11.970 1.00 31.33 N ATOM 294 CA GLY A 24 12.296 31.360 -12.179 1.00 63.14 C ATOM 295 C GLY A 24 11.421 31.564 -10.959 1.00 11.42 C ATOM 296 O GLY A 24 10.274 31.998 -11.074 1.00 24.24 O ATOM 0 H GLY A 24 13.926 30.512 -11.172 1.00 31.33 H new ATOM 0 HA2 GLY A 24 12.776 32.303 -12.440 1.00 63.14 H new ATOM 0 HA3 GLY A 24 11.672 31.075 -13.026 1.00 63.14 H new ATOM 300 N VAL A 25 11.961 31.250 -9.786 1.00 2.34 N ATOM 301 CA VAL A 25 11.222 31.401 -8.538 1.00 54.53 C ATOM 302 C VAL A 25 12.144 31.824 -7.400 1.00 53.43 C ATOM 303 O VAL A 25 13.355 31.612 -7.458 1.00 0.40 O ATOM 304 CB VAL A 25 10.508 30.094 -8.147 1.00 72.11 C ATOM 305 CG1 VAL A 25 9.485 30.351 -7.051 1.00 52.01 C ATOM 306 CG2 VAL A 25 9.850 29.462 -9.364 1.00 72.23 C ATOM 0 H VAL A 25 12.908 30.889 -9.674 1.00 2.34 H new ATOM 0 HA VAL A 25 10.476 32.178 -8.704 1.00 54.53 H new ATOM 0 HB VAL A 25 11.251 29.396 -7.761 1.00 72.11 H new ATOM 0 HG11 VAL A 25 8.991 29.416 -6.788 1.00 52.01 H new ATOM 0 HG12 VAL A 25 9.987 30.756 -6.172 1.00 52.01 H new ATOM 0 HG13 VAL A 25 8.743 31.066 -7.406 1.00 52.01 H new ATOM 0 HG21 VAL A 25 9.350 28.539 -9.069 1.00 72.23 H new ATOM 0 HG22 VAL A 25 9.118 30.153 -9.782 1.00 72.23 H new ATOM 0 HG23 VAL A 25 10.609 29.240 -10.114 1.00 72.23 H new ATOM 316 N ARG A 26 11.562 32.423 -6.366 1.00 41.22 N ATOM 317 CA ARG A 26 12.332 32.877 -5.214 1.00 72.21 C ATOM 318 C ARG A 26 11.796 32.260 -3.925 1.00 62.14 C ATOM 319 O ARG A 26 10.787 32.710 -3.383 1.00 14.30 O ATOM 320 CB ARG A 26 12.292 34.403 -5.116 1.00 62.04 C ATOM 321 CG ARG A 26 12.834 34.943 -3.803 1.00 52.41 C ATOM 322 CD ARG A 26 13.752 36.135 -4.027 1.00 61.43 C ATOM 323 NE ARG A 26 14.840 35.821 -4.949 1.00 65.12 N ATOM 324 CZ ARG A 26 15.667 36.733 -5.448 1.00 41.20 C ATOM 325 NH1 ARG A 26 15.530 38.009 -5.115 1.00 3.20 N ATOM 326 NH2 ARG A 26 16.634 36.370 -6.281 1.00 75.44 N ATOM 0 H ARG A 26 10.560 32.605 -6.302 1.00 41.22 H new ATOM 0 HA ARG A 26 13.365 32.555 -5.349 1.00 72.21 H new ATOM 0 HB2 ARG A 26 12.868 34.827 -5.939 1.00 62.04 H new ATOM 0 HB3 ARG A 26 11.263 34.740 -5.241 1.00 62.04 H new ATOM 0 HG2 ARG A 26 12.005 35.237 -3.159 1.00 52.41 H new ATOM 0 HG3 ARG A 26 13.379 34.156 -3.282 1.00 52.41 H new ATOM 0 HD2 ARG A 26 13.173 36.970 -4.421 1.00 61.43 H new ATOM 0 HD3 ARG A 26 14.167 36.457 -3.072 1.00 61.43 H new ATOM 0 HE ARG A 26 14.972 34.848 -5.225 1.00 65.12 H new ATOM 0 HH11 ARG A 26 14.788 38.292 -4.474 1.00 3.20 H new ATOM 0 HH12 ARG A 26 16.166 38.708 -5.499 1.00 3.20 H new ATOM 0 HH21 ARG A 26 16.743 35.389 -6.539 1.00 75.44 H new ATOM 0 HH22 ARG A 26 17.268 37.072 -6.663 1.00 75.44 H new ATOM 340 N ILE A 27 12.479 31.228 -3.442 1.00 34.54 N ATOM 341 CA ILE A 27 12.072 30.550 -2.217 1.00 74.20 C ATOM 342 C ILE A 27 12.682 31.218 -0.990 1.00 3.11 C ATOM 343 O ILE A 27 13.802 31.727 -1.040 1.00 1.35 O ATOM 344 CB ILE A 27 12.478 29.064 -2.234 1.00 53.31 C ATOM 345 CG1 ILE A 27 11.995 28.396 -3.523 1.00 32.21 C ATOM 346 CG2 ILE A 27 11.915 28.347 -1.016 1.00 52.30 C ATOM 347 CD1 ILE A 27 12.489 26.976 -3.689 1.00 63.02 C ATOM 0 H ILE A 27 13.316 30.843 -3.880 1.00 34.54 H new ATOM 0 HA ILE A 27 10.986 30.621 -2.164 1.00 74.20 H new ATOM 0 HB ILE A 27 13.565 28.999 -2.199 1.00 53.31 H new ATOM 0 HG12 ILE A 27 10.905 28.397 -3.537 1.00 32.21 H new ATOM 0 HG13 ILE A 27 12.325 28.989 -4.376 1.00 32.21 H new ATOM 0 HG21 ILE A 27 12.210 27.298 -1.042 1.00 52.30 H new ATOM 0 HG22 ILE A 27 12.303 28.811 -0.109 1.00 52.30 H new ATOM 0 HG23 ILE A 27 10.827 28.418 -1.023 1.00 52.30 H new ATOM 0 HD11 ILE A 27 12.108 26.565 -4.624 1.00 63.02 H new ATOM 0 HD12 ILE A 27 13.579 26.970 -3.707 1.00 63.02 H new ATOM 0 HD13 ILE A 27 12.137 26.368 -2.855 1.00 63.02 H new ATOM 359 N VAL A 28 11.939 31.211 0.112 1.00 3.23 N ATOM 360 CA VAL A 28 12.408 31.814 1.354 1.00 23.13 C ATOM 361 C VAL A 28 11.844 31.083 2.567 1.00 23.33 C ATOM 362 O VAL A 28 10.713 31.331 2.985 1.00 42.00 O ATOM 363 CB VAL A 28 12.018 33.302 1.438 1.00 24.44 C ATOM 364 CG1 VAL A 28 12.523 33.914 2.736 1.00 31.53 C ATOM 365 CG2 VAL A 28 12.557 34.062 0.236 1.00 23.00 C ATOM 0 H VAL A 28 11.010 30.794 0.170 1.00 3.23 H new ATOM 0 HA VAL A 28 13.495 31.730 1.356 1.00 23.13 H new ATOM 0 HB VAL A 28 10.931 33.376 1.428 1.00 24.44 H new ATOM 0 HG11 VAL A 28 12.238 34.965 2.778 1.00 31.53 H new ATOM 0 HG12 VAL A 28 12.084 33.385 3.582 1.00 31.53 H new ATOM 0 HG13 VAL A 28 13.609 33.830 2.779 1.00 31.53 H new ATOM 0 HG21 VAL A 28 12.272 35.111 0.312 1.00 23.00 H new ATOM 0 HG22 VAL A 28 13.644 33.982 0.212 1.00 23.00 H new ATOM 0 HG23 VAL A 28 12.142 33.638 -0.678 1.00 23.00 H new ATOM 375 N VAL A 29 12.641 30.179 3.130 1.00 11.40 N ATOM 376 CA VAL A 29 12.222 29.412 4.297 1.00 2.21 C ATOM 377 C VAL A 29 12.298 30.255 5.565 1.00 54.40 C ATOM 378 O VAL A 29 13.377 30.471 6.115 1.00 60.20 O ATOM 379 CB VAL A 29 13.088 28.151 4.480 1.00 52.41 C ATOM 380 CG1 VAL A 29 12.525 27.273 5.587 1.00 4.44 C ATOM 381 CG2 VAL A 29 13.185 27.379 3.173 1.00 24.43 C ATOM 0 H VAL A 29 13.580 29.960 2.796 1.00 11.40 H new ATOM 0 HA VAL A 29 11.188 29.113 4.124 1.00 2.21 H new ATOM 0 HB VAL A 29 14.093 28.459 4.769 1.00 52.41 H new ATOM 0 HG11 VAL A 29 13.150 26.387 5.702 1.00 4.44 H new ATOM 0 HG12 VAL A 29 12.512 27.831 6.523 1.00 4.44 H new ATOM 0 HG13 VAL A 29 11.510 26.970 5.331 1.00 4.44 H new ATOM 0 HG21 VAL A 29 13.800 26.491 3.320 1.00 24.43 H new ATOM 0 HG22 VAL A 29 12.187 27.080 2.852 1.00 24.43 H new ATOM 0 HG23 VAL A 29 13.637 28.012 2.409 1.00 24.43 H new ATOM 391 N GLU A 30 11.143 30.729 6.023 1.00 4.54 N ATOM 392 CA GLU A 30 11.079 31.550 7.227 1.00 25.23 C ATOM 393 C GLU A 30 11.017 30.677 8.478 1.00 50.24 C ATOM 394 O GLU A 30 10.004 30.032 8.747 1.00 33.14 O ATOM 395 CB GLU A 30 9.862 32.475 7.177 1.00 40.35 C ATOM 396 CG GLU A 30 10.006 33.718 8.039 1.00 33.11 C ATOM 397 CD GLU A 30 8.678 34.400 8.306 1.00 72.23 C ATOM 398 OE1 GLU A 30 7.950 33.945 9.213 1.00 0.43 O ATOM 399 OE2 GLU A 30 8.366 35.387 7.607 1.00 23.23 O ATOM 0 H GLU A 30 10.240 30.559 5.579 1.00 4.54 H new ATOM 0 HA GLU A 30 11.984 32.155 7.271 1.00 25.23 H new ATOM 0 HB2 GLU A 30 9.688 32.777 6.144 1.00 40.35 H new ATOM 0 HB3 GLU A 30 8.981 31.920 7.499 1.00 40.35 H new ATOM 0 HG2 GLU A 30 10.468 33.446 8.988 1.00 33.11 H new ATOM 0 HG3 GLU A 30 10.679 34.421 7.547 1.00 33.11 H new ATOM 406 N TYR A 31 12.107 30.663 9.236 1.00 21.54 N ATOM 407 CA TYR A 31 12.178 29.867 10.457 1.00 44.45 C ATOM 408 C TYR A 31 12.978 30.593 11.534 1.00 42.30 C ATOM 409 O TYR A 31 13.731 31.524 11.244 1.00 23.53 O ATOM 410 CB TYR A 31 12.811 28.505 10.166 1.00 4.44 C ATOM 411 CG TYR A 31 14.259 28.589 9.739 1.00 42.43 C ATOM 412 CD1 TYR A 31 15.283 28.569 10.678 1.00 64.24 C ATOM 413 CD2 TYR A 31 14.603 28.690 8.396 1.00 0.34 C ATOM 414 CE1 TYR A 31 16.608 28.646 10.292 1.00 73.03 C ATOM 415 CE2 TYR A 31 15.925 28.766 8.001 1.00 15.44 C ATOM 416 CZ TYR A 31 16.923 28.744 8.953 1.00 41.14 C ATOM 417 OH TYR A 31 18.241 28.821 8.563 1.00 13.21 O ATOM 0 H TYR A 31 12.953 31.193 9.028 1.00 21.54 H new ATOM 0 HA TYR A 31 11.162 29.717 10.823 1.00 44.45 H new ATOM 0 HB2 TYR A 31 12.740 27.883 11.058 1.00 4.44 H new ATOM 0 HB3 TYR A 31 12.238 28.007 9.383 1.00 4.44 H new ATOM 0 HD1 TYR A 31 15.039 28.492 11.727 1.00 64.24 H new ATOM 0 HD2 TYR A 31 13.824 28.709 7.648 1.00 0.34 H new ATOM 0 HE1 TYR A 31 17.392 28.630 11.035 1.00 73.03 H new ATOM 0 HE2 TYR A 31 16.175 28.842 6.953 1.00 15.44 H new ATOM 0 HH TYR A 31 18.290 28.884 7.586 1.00 13.21 H new ATOM 427 N CYS A 32 12.809 30.161 12.779 1.00 25.20 N ATOM 428 CA CYS A 32 13.514 30.767 13.902 1.00 43.31 C ATOM 429 C CYS A 32 15.000 30.422 13.862 1.00 41.01 C ATOM 430 O CYS A 32 15.400 29.315 14.222 1.00 13.43 O ATOM 431 CB CYS A 32 12.906 30.299 15.226 1.00 41.45 C ATOM 432 SG CYS A 32 13.833 30.834 16.700 1.00 62.12 S ATOM 0 H CYS A 32 12.189 29.393 13.036 1.00 25.20 H new ATOM 0 HA CYS A 32 13.408 31.849 13.824 1.00 43.31 H new ATOM 0 HB2 CYS A 32 11.885 30.673 15.297 1.00 41.45 H new ATOM 0 HB3 CYS A 32 12.847 29.211 15.222 1.00 41.45 H new ATOM 437 N GLU A 33 15.813 31.378 13.421 1.00 35.44 N ATOM 438 CA GLU A 33 17.254 31.174 13.334 1.00 33.11 C ATOM 439 C GLU A 33 17.824 30.735 14.680 1.00 73.01 C ATOM 440 O GLU A 33 18.364 29.638 14.826 1.00 51.32 O ATOM 441 CB GLU A 33 17.945 32.457 12.869 1.00 44.10 C ATOM 442 CG GLU A 33 18.469 32.384 11.445 1.00 45.23 C ATOM 443 CD GLU A 33 19.740 31.565 11.332 1.00 63.41 C ATOM 444 OE1 GLU A 33 19.820 30.500 11.979 1.00 34.22 O ATOM 445 OE2 GLU A 33 20.656 31.989 10.596 1.00 74.34 O ATOM 0 H GLU A 33 15.498 32.300 13.119 1.00 35.44 H new ATOM 0 HA GLU A 33 17.440 30.385 12.606 1.00 33.11 H new ATOM 0 HB2 GLU A 33 17.242 33.287 12.947 1.00 44.10 H new ATOM 0 HB3 GLU A 33 18.774 32.677 13.541 1.00 44.10 H new ATOM 0 HG2 GLU A 33 17.703 31.950 10.802 1.00 45.23 H new ATOM 0 HG3 GLU A 33 18.658 33.393 11.079 1.00 45.23 H new ATOM 452 N PRO A 34 17.702 31.612 15.688 1.00 73.52 N ATOM 453 CA PRO A 34 18.198 31.338 17.040 1.00 63.45 C ATOM 454 C PRO A 34 17.385 30.260 17.748 1.00 22.15 C ATOM 455 O PRO A 34 16.808 30.500 18.809 1.00 14.41 O ATOM 456 CB PRO A 34 18.042 32.682 17.754 1.00 10.21 C ATOM 457 CG PRO A 34 16.949 33.377 17.018 1.00 11.44 C ATOM 458 CD PRO A 34 17.069 32.937 15.586 1.00 41.35 C ATOM 0 HA PRO A 34 19.221 30.962 17.031 1.00 63.45 H new ATOM 0 HB2 PRO A 34 17.787 32.545 18.805 1.00 10.21 H new ATOM 0 HB3 PRO A 34 18.968 33.257 17.723 1.00 10.21 H new ATOM 0 HG2 PRO A 34 15.974 33.113 17.427 1.00 11.44 H new ATOM 0 HG3 PRO A 34 17.048 34.459 17.103 1.00 11.44 H new ATOM 0 HD2 PRO A 34 16.095 32.881 15.100 1.00 41.35 H new ATOM 0 HD3 PRO A 34 17.677 33.629 15.003 1.00 41.35 H new ATOM 466 N CYS A 35 17.344 29.071 17.157 1.00 62.23 N ATOM 467 CA CYS A 35 16.602 27.955 17.731 1.00 11.32 C ATOM 468 C CYS A 35 17.265 26.625 17.386 1.00 44.20 C ATOM 469 O CYS A 35 17.430 25.760 18.245 1.00 75.21 O ATOM 470 CB CYS A 35 15.157 27.963 17.227 1.00 4.21 C ATOM 471 SG CYS A 35 14.098 29.213 18.025 1.00 65.24 S ATOM 0 H CYS A 35 17.817 28.855 16.279 1.00 62.23 H new ATOM 0 HA CYS A 35 16.603 28.070 18.815 1.00 11.32 H new ATOM 0 HB2 CYS A 35 15.160 28.138 16.151 1.00 4.21 H new ATOM 0 HB3 CYS A 35 14.722 26.977 17.389 1.00 4.21 H new ATOM 476 N GLY A 36 17.645 26.470 16.121 1.00 4.12 N ATOM 477 CA GLY A 36 18.287 25.244 15.684 1.00 34.33 C ATOM 478 C GLY A 36 17.532 24.564 14.559 1.00 40.11 C ATOM 479 O GLY A 36 17.705 23.369 14.319 1.00 72.11 O ATOM 0 H GLY A 36 17.520 27.172 15.391 1.00 4.12 H new ATOM 0 HA2 GLY A 36 19.302 25.466 15.354 1.00 34.33 H new ATOM 0 HA3 GLY A 36 18.369 24.559 16.528 1.00 34.33 H new ATOM 483 N PHE A 37 16.691 25.326 13.867 1.00 3.34 N ATOM 484 CA PHE A 37 15.905 24.790 12.763 1.00 61.33 C ATOM 485 C PHE A 37 16.656 24.931 11.442 1.00 53.53 C ATOM 486 O PHE A 37 16.128 24.607 10.379 1.00 54.33 O ATOM 487 CB PHE A 37 14.555 25.505 12.675 1.00 44.14 C ATOM 488 CG PHE A 37 13.603 25.125 13.772 1.00 73.12 C ATOM 489 CD1 PHE A 37 13.380 23.793 14.083 1.00 15.31 C ATOM 490 CD2 PHE A 37 12.930 26.099 14.492 1.00 51.15 C ATOM 491 CE1 PHE A 37 12.504 23.440 15.092 1.00 32.04 C ATOM 492 CE2 PHE A 37 12.053 25.752 15.502 1.00 23.21 C ATOM 493 CZ PHE A 37 11.839 24.421 15.802 1.00 21.31 C ATOM 0 H PHE A 37 16.537 26.317 14.052 1.00 3.34 H new ATOM 0 HA PHE A 37 15.735 23.730 12.952 1.00 61.33 H new ATOM 0 HB2 PHE A 37 14.721 26.582 12.705 1.00 44.14 H new ATOM 0 HB3 PHE A 37 14.096 25.280 11.712 1.00 44.14 H new ATOM 0 HD1 PHE A 37 13.897 23.022 13.531 1.00 15.31 H new ATOM 0 HD2 PHE A 37 13.093 27.141 14.261 1.00 51.15 H new ATOM 0 HE1 PHE A 37 12.339 22.398 15.325 1.00 32.04 H new ATOM 0 HE2 PHE A 37 11.535 26.521 16.056 1.00 23.21 H new ATOM 0 HZ PHE A 37 11.153 24.148 16.590 1.00 21.31 H new ATOM 503 N GLU A 38 17.890 25.419 11.519 1.00 62.33 N ATOM 504 CA GLU A 38 18.713 25.605 10.329 1.00 32.22 C ATOM 505 C GLU A 38 19.424 24.309 9.951 1.00 31.42 C ATOM 506 O GLU A 38 19.741 24.080 8.784 1.00 22.25 O ATOM 507 CB GLU A 38 19.741 26.714 10.561 1.00 15.32 C ATOM 508 CG GLU A 38 20.772 26.830 9.452 1.00 50.35 C ATOM 509 CD GLU A 38 22.011 25.997 9.717 1.00 11.22 C ATOM 510 OE1 GLU A 38 22.780 26.353 10.634 1.00 21.33 O ATOM 511 OE2 GLU A 38 22.211 24.989 9.007 1.00 15.24 O ATOM 0 H GLU A 38 18.342 25.692 12.392 1.00 62.33 H new ATOM 0 HA GLU A 38 18.058 25.893 9.507 1.00 32.22 H new ATOM 0 HB2 GLU A 38 19.220 27.666 10.662 1.00 15.32 H new ATOM 0 HB3 GLU A 38 20.254 26.530 11.505 1.00 15.32 H new ATOM 0 HG2 GLU A 38 20.323 26.517 8.510 1.00 50.35 H new ATOM 0 HG3 GLU A 38 21.059 27.875 9.336 1.00 50.35 H new ATOM 518 N ALA A 39 19.671 23.464 10.947 1.00 3.23 N ATOM 519 CA ALA A 39 20.343 22.191 10.720 1.00 23.11 C ATOM 520 C ALA A 39 19.585 21.343 9.704 1.00 11.52 C ATOM 521 O ALA A 39 20.158 20.460 9.065 1.00 34.03 O ATOM 522 CB ALA A 39 20.498 21.434 12.031 1.00 14.32 C ATOM 0 H ALA A 39 19.416 23.639 11.919 1.00 3.23 H new ATOM 0 HA ALA A 39 21.333 22.399 10.314 1.00 23.11 H new ATOM 0 HB1 ALA A 39 21.002 20.485 11.846 1.00 14.32 H new ATOM 0 HB2 ALA A 39 21.089 22.029 12.727 1.00 14.32 H new ATOM 0 HB3 ALA A 39 19.514 21.245 12.460 1.00 14.32 H new ATOM 528 N THR A 40 18.292 21.617 9.559 1.00 11.25 N ATOM 529 CA THR A 40 17.455 20.879 8.623 1.00 74.13 C ATOM 530 C THR A 40 17.393 21.579 7.270 1.00 2.21 C ATOM 531 O THR A 40 17.167 20.943 6.241 1.00 54.25 O ATOM 532 CB THR A 40 16.023 20.707 9.164 1.00 31.43 C ATOM 533 OG1 THR A 40 16.047 19.953 10.381 1.00 31.43 O ATOM 534 CG2 THR A 40 15.139 20.005 8.144 1.00 22.32 C ATOM 0 H THR A 40 17.802 22.345 10.079 1.00 11.25 H new ATOM 0 HA THR A 40 17.910 19.896 8.501 1.00 74.13 H new ATOM 0 HB THR A 40 15.610 21.697 9.358 1.00 31.43 H new ATOM 0 HG1 THR A 40 15.133 19.849 10.720 1.00 31.43 H new ATOM 0 HG21 THR A 40 14.133 19.895 8.549 1.00 22.32 H new ATOM 0 HG22 THR A 40 15.099 20.596 7.229 1.00 22.32 H new ATOM 0 HG23 THR A 40 15.551 19.020 7.922 1.00 22.32 H new ATOM 542 N TYR A 41 17.597 22.892 7.279 1.00 20.22 N ATOM 543 CA TYR A 41 17.563 23.679 6.052 1.00 21.03 C ATOM 544 C TYR A 41 18.820 23.445 5.220 1.00 72.43 C ATOM 545 O TYR A 41 18.817 23.635 4.003 1.00 44.02 O ATOM 546 CB TYR A 41 17.425 25.167 6.380 1.00 71.32 C ATOM 547 CG TYR A 41 17.700 26.074 5.202 1.00 5.12 C ATOM 548 CD1 TYR A 41 16.878 26.061 4.082 1.00 3.13 C ATOM 549 CD2 TYR A 41 18.783 26.945 5.210 1.00 50.30 C ATOM 550 CE1 TYR A 41 17.127 26.888 3.004 1.00 71.10 C ATOM 551 CE2 TYR A 41 19.038 27.777 4.137 1.00 64.23 C ATOM 552 CZ TYR A 41 18.208 27.744 3.036 1.00 71.01 C ATOM 553 OH TYR A 41 18.458 28.570 1.964 1.00 2.23 O ATOM 0 H TYR A 41 17.788 23.433 8.122 1.00 20.22 H new ATOM 0 HA TYR A 41 16.699 23.360 5.469 1.00 21.03 H new ATOM 0 HB2 TYR A 41 16.417 25.358 6.747 1.00 71.32 H new ATOM 0 HB3 TYR A 41 18.111 25.417 7.189 1.00 71.32 H new ATOM 0 HD1 TYR A 41 16.030 25.393 4.054 1.00 3.13 H new ATOM 0 HD2 TYR A 41 19.436 26.972 6.070 1.00 50.30 H new ATOM 0 HE1 TYR A 41 16.479 26.864 2.141 1.00 71.10 H new ATOM 0 HE2 TYR A 41 19.883 28.450 4.160 1.00 64.23 H new ATOM 0 HH TYR A 41 19.255 29.110 2.146 1.00 2.23 H new ATOM 563 N LEU A 42 19.893 23.030 5.884 1.00 34.42 N ATOM 564 CA LEU A 42 21.158 22.768 5.207 1.00 30.51 C ATOM 565 C LEU A 42 21.341 21.275 4.954 1.00 61.41 C ATOM 566 O LEU A 42 22.065 20.875 4.043 1.00 60.41 O ATOM 567 CB LEU A 42 22.325 23.302 6.040 1.00 53.14 C ATOM 568 CG LEU A 42 22.992 24.576 5.519 1.00 24.54 C ATOM 569 CD1 LEU A 42 21.951 25.648 5.238 1.00 21.42 C ATOM 570 CD2 LEU A 42 24.026 25.081 6.516 1.00 54.14 C ATOM 0 H LEU A 42 19.912 22.868 6.891 1.00 34.42 H new ATOM 0 HA LEU A 42 21.140 23.281 4.246 1.00 30.51 H new ATOM 0 HB2 LEU A 42 21.967 23.491 7.052 1.00 53.14 H new ATOM 0 HB3 LEU A 42 23.083 22.521 6.110 1.00 53.14 H new ATOM 0 HG LEU A 42 23.501 24.341 4.584 1.00 24.54 H new ATOM 0 HD11 LEU A 42 22.445 26.547 4.868 1.00 21.42 H new ATOM 0 HD12 LEU A 42 21.248 25.285 4.488 1.00 21.42 H new ATOM 0 HD13 LEU A 42 21.412 25.882 6.156 1.00 21.42 H new ATOM 0 HD21 LEU A 42 24.491 25.988 6.130 1.00 54.14 H new ATOM 0 HD22 LEU A 42 23.539 25.299 7.466 1.00 54.14 H new ATOM 0 HD23 LEU A 42 24.789 24.318 6.667 1.00 54.14 H new ATOM 582 N GLU A 43 20.678 20.456 5.765 1.00 4.23 N ATOM 583 CA GLU A 43 20.768 19.007 5.627 1.00 13.33 C ATOM 584 C GLU A 43 20.049 18.536 4.366 1.00 25.52 C ATOM 585 O GLU A 43 20.196 17.386 3.948 1.00 52.33 O ATOM 586 CB GLU A 43 20.170 18.318 6.856 1.00 64.12 C ATOM 587 CG GLU A 43 21.202 17.949 7.908 1.00 21.15 C ATOM 588 CD GLU A 43 21.826 16.589 7.662 1.00 45.21 C ATOM 589 OE1 GLU A 43 21.087 15.658 7.278 1.00 3.44 O ATOM 590 OE2 GLU A 43 23.053 16.456 7.852 1.00 22.34 O ATOM 0 H GLU A 43 20.073 20.771 6.524 1.00 4.23 H new ATOM 0 HA GLU A 43 21.821 18.739 5.546 1.00 13.33 H new ATOM 0 HB2 GLU A 43 19.425 18.975 7.304 1.00 64.12 H new ATOM 0 HB3 GLU A 43 19.648 17.415 6.538 1.00 64.12 H new ATOM 0 HG2 GLU A 43 21.986 18.706 7.924 1.00 21.15 H new ATOM 0 HG3 GLU A 43 20.732 17.956 8.891 1.00 21.15 H new ATOM 597 N LEU A 44 19.273 19.430 3.765 1.00 13.14 N ATOM 598 CA LEU A 44 18.530 19.107 2.552 1.00 23.40 C ATOM 599 C LEU A 44 18.968 19.996 1.393 1.00 71.15 C ATOM 600 O LEU A 44 18.948 19.578 0.235 1.00 12.22 O ATOM 601 CB LEU A 44 17.028 19.265 2.792 1.00 31.03 C ATOM 602 CG LEU A 44 16.531 20.693 3.020 1.00 44.24 C ATOM 603 CD1 LEU A 44 16.133 21.336 1.700 1.00 2.32 C ATOM 604 CD2 LEU A 44 15.362 20.703 3.994 1.00 65.21 C ATOM 0 H LEU A 44 19.142 20.385 4.098 1.00 13.14 H new ATOM 0 HA LEU A 44 18.742 18.070 2.291 1.00 23.40 H new ATOM 0 HB2 LEU A 44 16.498 18.850 1.935 1.00 31.03 H new ATOM 0 HB3 LEU A 44 16.754 18.663 3.659 1.00 31.03 H new ATOM 0 HG LEU A 44 17.344 21.275 3.454 1.00 44.24 H new ATOM 0 HD11 LEU A 44 15.782 22.352 1.881 1.00 2.32 H new ATOM 0 HD12 LEU A 44 16.996 21.364 1.034 1.00 2.32 H new ATOM 0 HD13 LEU A 44 15.336 20.754 1.237 1.00 2.32 H new ATOM 0 HD21 LEU A 44 15.022 21.728 4.144 1.00 65.21 H new ATOM 0 HD22 LEU A 44 14.546 20.105 3.589 1.00 65.21 H new ATOM 0 HD23 LEU A 44 15.680 20.283 4.948 1.00 65.21 H new ATOM 616 N ALA A 45 19.365 21.223 1.712 1.00 10.21 N ATOM 617 CA ALA A 45 19.812 22.170 0.698 1.00 72.13 C ATOM 618 C ALA A 45 21.086 21.684 0.016 1.00 24.44 C ATOM 619 O ALA A 45 21.467 22.186 -1.041 1.00 2.54 O ATOM 620 CB ALA A 45 20.033 23.542 1.317 1.00 34.01 C ATOM 0 H ALA A 45 19.386 21.585 2.665 1.00 10.21 H new ATOM 0 HA ALA A 45 19.032 22.247 -0.060 1.00 72.13 H new ATOM 0 HB1 ALA A 45 20.367 24.239 0.548 1.00 34.01 H new ATOM 0 HB2 ALA A 45 19.099 23.900 1.751 1.00 34.01 H new ATOM 0 HB3 ALA A 45 20.792 23.472 2.096 1.00 34.01 H new ATOM 626 N SER A 46 21.742 20.703 0.629 1.00 42.10 N ATOM 627 CA SER A 46 22.977 20.152 0.083 1.00 21.14 C ATOM 628 C SER A 46 22.710 19.408 -1.222 1.00 0.13 C ATOM 629 O SER A 46 23.579 19.322 -2.089 1.00 21.24 O ATOM 630 CB SER A 46 23.631 19.210 1.096 1.00 61.21 C ATOM 631 OG SER A 46 23.396 17.854 0.757 1.00 41.11 O ATOM 0 H SER A 46 21.439 20.274 1.503 1.00 42.10 H new ATOM 0 HA SER A 46 23.655 20.980 -0.124 1.00 21.14 H new ATOM 0 HB2 SER A 46 24.704 19.398 1.132 1.00 61.21 H new ATOM 0 HB3 SER A 46 23.238 19.413 2.092 1.00 61.21 H new ATOM 0 HG SER A 46 23.825 17.272 1.418 1.00 41.11 H new ATOM 637 N ALA A 47 21.501 18.872 -1.353 1.00 51.42 N ATOM 638 CA ALA A 47 21.117 18.138 -2.552 1.00 64.52 C ATOM 639 C ALA A 47 20.005 18.859 -3.306 1.00 63.00 C ATOM 640 O ALA A 47 19.923 18.784 -4.532 1.00 75.20 O ATOM 641 CB ALA A 47 20.682 16.726 -2.189 1.00 74.31 C ATOM 0 H ALA A 47 20.771 18.932 -0.643 1.00 51.42 H new ATOM 0 HA ALA A 47 21.986 18.082 -3.207 1.00 64.52 H new ATOM 0 HB1 ALA A 47 20.398 16.189 -3.094 1.00 74.31 H new ATOM 0 HB2 ALA A 47 21.506 16.205 -1.702 1.00 74.31 H new ATOM 0 HB3 ALA A 47 19.830 16.771 -1.511 1.00 74.31 H new ATOM 647 N VAL A 48 19.151 19.558 -2.565 1.00 61.20 N ATOM 648 CA VAL A 48 18.044 20.293 -3.164 1.00 12.32 C ATOM 649 C VAL A 48 18.551 21.373 -4.113 1.00 53.11 C ATOM 650 O VAL A 48 17.847 21.786 -5.035 1.00 15.23 O ATOM 651 CB VAL A 48 17.157 20.947 -2.087 1.00 72.34 C ATOM 652 CG1 VAL A 48 16.213 21.961 -2.716 1.00 64.11 C ATOM 653 CG2 VAL A 48 16.380 19.886 -1.322 1.00 54.23 C ATOM 0 H VAL A 48 19.205 19.631 -1.549 1.00 61.20 H new ATOM 0 HA VAL A 48 17.450 19.571 -3.724 1.00 12.32 H new ATOM 0 HB VAL A 48 17.800 21.474 -1.382 1.00 72.34 H new ATOM 0 HG11 VAL A 48 15.595 22.412 -1.940 1.00 64.11 H new ATOM 0 HG12 VAL A 48 16.793 22.737 -3.215 1.00 64.11 H new ATOM 0 HG13 VAL A 48 15.574 21.461 -3.444 1.00 64.11 H new ATOM 0 HG21 VAL A 48 15.759 20.365 -0.565 1.00 54.23 H new ATOM 0 HG22 VAL A 48 15.746 19.330 -2.013 1.00 54.23 H new ATOM 0 HG23 VAL A 48 17.078 19.202 -0.839 1.00 54.23 H new ATOM 663 N LYS A 49 19.778 21.827 -3.882 1.00 50.15 N ATOM 664 CA LYS A 49 20.382 22.858 -4.718 1.00 3.35 C ATOM 665 C LYS A 49 20.711 22.313 -6.104 1.00 30.35 C ATOM 666 O LYS A 49 21.054 23.068 -7.012 1.00 4.31 O ATOM 667 CB LYS A 49 21.652 23.400 -4.057 1.00 21.44 C ATOM 668 CG LYS A 49 22.031 24.796 -4.519 1.00 71.23 C ATOM 669 CD LYS A 49 21.521 25.858 -3.560 1.00 42.52 C ATOM 670 CE LYS A 49 20.008 25.996 -3.633 1.00 62.32 C ATOM 671 NZ LYS A 49 19.325 25.157 -2.610 1.00 21.12 N ATOM 0 H LYS A 49 20.374 21.497 -3.123 1.00 50.15 H new ATOM 0 HA LYS A 49 19.662 23.669 -4.828 1.00 3.35 H new ATOM 0 HB2 LYS A 49 21.513 23.410 -2.976 1.00 21.44 H new ATOM 0 HB3 LYS A 49 22.478 22.721 -4.266 1.00 21.44 H new ATOM 0 HG2 LYS A 49 23.115 24.871 -4.603 1.00 71.23 H new ATOM 0 HG3 LYS A 49 21.621 24.975 -5.513 1.00 71.23 H new ATOM 0 HD2 LYS A 49 21.815 25.602 -2.542 1.00 42.52 H new ATOM 0 HD3 LYS A 49 21.986 26.815 -3.795 1.00 42.52 H new ATOM 0 HE2 LYS A 49 19.731 27.041 -3.490 1.00 62.32 H new ATOM 0 HE3 LYS A 49 19.665 25.709 -4.627 1.00 62.32 H new ATOM 0 HZ1 LYS A 49 18.387 24.878 -2.960 1.00 21.12 H new ATOM 0 HZ2 LYS A 49 19.893 24.306 -2.424 1.00 21.12 H new ATOM 0 HZ3 LYS A 49 19.218 25.701 -1.730 1.00 21.12 H new ATOM 685 N GLU A 50 20.602 20.997 -6.258 1.00 32.22 N ATOM 686 CA GLU A 50 20.887 20.352 -7.534 1.00 62.30 C ATOM 687 C GLU A 50 19.614 20.191 -8.359 1.00 74.11 C ATOM 688 O GLU A 50 19.662 19.791 -9.522 1.00 23.52 O ATOM 689 CB GLU A 50 21.536 18.985 -7.306 1.00 43.01 C ATOM 690 CG GLU A 50 21.989 18.305 -8.587 1.00 60.12 C ATOM 691 CD GLU A 50 22.776 19.232 -9.493 1.00 53.02 C ATOM 692 OE1 GLU A 50 23.820 19.752 -9.048 1.00 62.14 O ATOM 693 OE2 GLU A 50 22.346 19.437 -10.648 1.00 2.21 O ATOM 0 H GLU A 50 20.319 20.357 -5.516 1.00 32.22 H new ATOM 0 HA GLU A 50 21.579 20.988 -8.086 1.00 62.30 H new ATOM 0 HB2 GLU A 50 22.395 19.105 -6.645 1.00 43.01 H new ATOM 0 HB3 GLU A 50 20.827 18.337 -6.792 1.00 43.01 H new ATOM 0 HG2 GLU A 50 22.603 17.440 -8.337 1.00 60.12 H new ATOM 0 HG3 GLU A 50 21.117 17.932 -9.124 1.00 60.12 H new ATOM 700 N GLN A 51 18.476 20.505 -7.748 1.00 40.40 N ATOM 701 CA GLN A 51 17.190 20.394 -8.425 1.00 54.54 C ATOM 702 C GLN A 51 16.839 21.693 -9.144 1.00 50.20 C ATOM 703 O GLN A 51 15.934 21.728 -9.979 1.00 25.14 O ATOM 704 CB GLN A 51 16.090 20.040 -7.423 1.00 22.23 C ATOM 705 CG GLN A 51 16.442 18.865 -6.524 1.00 42.03 C ATOM 706 CD GLN A 51 16.436 17.542 -7.264 1.00 43.04 C ATOM 707 OE1 GLN A 51 17.474 17.076 -7.735 1.00 4.01 O ATOM 708 NE2 GLN A 51 15.263 16.929 -7.372 1.00 25.55 N ATOM 0 H GLN A 51 18.419 20.838 -6.786 1.00 40.40 H new ATOM 0 HA GLN A 51 17.267 19.598 -9.166 1.00 54.54 H new ATOM 0 HB2 GLN A 51 15.881 20.912 -6.803 1.00 22.23 H new ATOM 0 HB3 GLN A 51 15.174 19.809 -7.968 1.00 22.23 H new ATOM 0 HG2 GLN A 51 17.427 19.029 -6.088 1.00 42.03 H new ATOM 0 HG3 GLN A 51 15.732 18.818 -5.698 1.00 42.03 H new ATOM 0 HE21 GLN A 51 14.428 17.351 -6.966 1.00 25.55 H new ATOM 0 HE22 GLN A 51 15.197 16.036 -7.860 1.00 25.55 H new ATOM 717 N TYR A 52 17.560 22.759 -8.814 1.00 70.03 N ATOM 718 CA TYR A 52 17.323 24.061 -9.426 1.00 42.03 C ATOM 719 C TYR A 52 18.366 25.076 -8.968 1.00 62.05 C ATOM 720 O TYR A 52 18.105 25.938 -8.130 1.00 14.35 O ATOM 721 CB TYR A 52 15.920 24.563 -9.080 1.00 4.20 C ATOM 722 CG TYR A 52 15.371 23.986 -7.795 1.00 73.12 C ATOM 723 CD1 TYR A 52 16.028 24.180 -6.586 1.00 53.33 C ATOM 724 CD2 TYR A 52 14.195 23.245 -7.790 1.00 42.30 C ATOM 725 CE1 TYR A 52 15.530 23.654 -5.410 1.00 14.30 C ATOM 726 CE2 TYR A 52 13.689 22.717 -6.618 1.00 60.24 C ATOM 727 CZ TYR A 52 14.360 22.924 -5.431 1.00 71.21 C ATOM 728 OH TYR A 52 13.860 22.398 -4.262 1.00 73.20 O ATOM 0 H TYR A 52 18.313 22.747 -8.126 1.00 70.03 H new ATOM 0 HA TYR A 52 17.404 23.946 -10.507 1.00 42.03 H new ATOM 0 HB2 TYR A 52 15.941 25.650 -9.001 1.00 4.20 H new ATOM 0 HB3 TYR A 52 15.243 24.316 -9.898 1.00 4.20 H new ATOM 0 HD1 TYR A 52 16.944 24.752 -6.566 1.00 53.33 H new ATOM 0 HD2 TYR A 52 13.668 23.079 -8.718 1.00 42.30 H new ATOM 0 HE1 TYR A 52 16.054 23.813 -4.479 1.00 14.30 H new ATOM 0 HE2 TYR A 52 12.773 22.145 -6.631 1.00 60.24 H new ATOM 0 HH TYR A 52 13.790 21.424 -4.345 1.00 73.20 H new ATOM 738 N PRO A 53 19.578 24.972 -9.533 1.00 45.41 N ATOM 739 CA PRO A 53 20.686 25.873 -9.200 1.00 63.12 C ATOM 740 C PRO A 53 20.458 27.289 -9.718 1.00 60.21 C ATOM 741 O PRO A 53 21.216 28.205 -9.403 1.00 42.13 O ATOM 742 CB PRO A 53 21.887 25.234 -9.903 1.00 35.52 C ATOM 743 CG PRO A 53 21.297 24.457 -11.029 1.00 34.31 C ATOM 744 CD PRO A 53 19.961 23.969 -10.540 1.00 71.43 C ATOM 0 HA PRO A 53 20.813 25.981 -8.123 1.00 63.12 H new ATOM 0 HB2 PRO A 53 22.582 25.991 -10.266 1.00 35.52 H new ATOM 0 HB3 PRO A 53 22.445 24.588 -9.225 1.00 35.52 H new ATOM 0 HG2 PRO A 53 21.184 25.080 -11.916 1.00 34.31 H new ATOM 0 HG3 PRO A 53 21.940 23.622 -11.306 1.00 34.31 H new ATOM 0 HD2 PRO A 53 19.233 23.914 -11.349 1.00 71.43 H new ATOM 0 HD3 PRO A 53 20.032 22.971 -10.107 1.00 71.43 H new ATOM 752 N GLY A 54 19.407 27.461 -10.515 1.00 22.25 N ATOM 753 CA GLY A 54 19.098 28.768 -11.063 1.00 1.31 C ATOM 754 C GLY A 54 18.250 29.604 -10.125 1.00 52.53 C ATOM 755 O GLY A 54 18.432 30.818 -10.029 1.00 42.50 O ATOM 0 H GLY A 54 18.765 26.718 -10.790 1.00 22.25 H new ATOM 0 HA2 GLY A 54 20.026 29.297 -11.278 1.00 1.31 H new ATOM 0 HA3 GLY A 54 18.574 28.646 -12.011 1.00 1.31 H new ATOM 759 N ILE A 55 17.319 28.955 -9.434 1.00 24.01 N ATOM 760 CA ILE A 55 16.440 29.647 -8.500 1.00 51.22 C ATOM 761 C ILE A 55 17.240 30.342 -7.404 1.00 11.32 C ATOM 762 O ILE A 55 18.469 30.383 -7.450 1.00 52.12 O ATOM 763 CB ILE A 55 15.434 28.678 -7.851 1.00 2.44 C ATOM 764 CG1 ILE A 55 16.161 27.697 -6.928 1.00 52.24 C ATOM 765 CG2 ILE A 55 14.654 27.929 -8.920 1.00 54.53 C ATOM 766 CD1 ILE A 55 15.757 27.821 -5.476 1.00 2.21 C ATOM 0 H ILE A 55 17.154 27.951 -9.503 1.00 24.01 H new ATOM 0 HA ILE A 55 15.893 30.394 -9.075 1.00 51.22 H new ATOM 0 HB ILE A 55 14.729 29.256 -7.253 1.00 2.44 H new ATOM 0 HG12 ILE A 55 15.965 26.679 -7.266 1.00 52.24 H new ATOM 0 HG13 ILE A 55 17.236 27.859 -7.013 1.00 52.24 H new ATOM 0 HG21 ILE A 55 13.947 27.248 -8.445 1.00 54.53 H new ATOM 0 HG22 ILE A 55 14.110 28.642 -9.540 1.00 54.53 H new ATOM 0 HG23 ILE A 55 15.344 27.359 -9.542 1.00 54.53 H new ATOM 0 HD11 ILE A 55 16.312 27.096 -4.881 1.00 2.21 H new ATOM 0 HD12 ILE A 55 15.979 28.827 -5.121 1.00 2.21 H new ATOM 0 HD13 ILE A 55 14.688 27.629 -5.378 1.00 2.21 H new ATOM 778 N GLU A 56 16.534 30.886 -6.418 1.00 15.33 N ATOM 779 CA GLU A 56 17.179 31.579 -5.309 1.00 31.14 C ATOM 780 C GLU A 56 16.466 31.282 -3.993 1.00 34.13 C ATOM 781 O GLU A 56 15.403 31.836 -3.712 1.00 14.41 O ATOM 782 CB GLU A 56 17.197 33.088 -5.562 1.00 64.20 C ATOM 783 CG GLU A 56 18.588 33.645 -5.817 1.00 53.20 C ATOM 784 CD GLU A 56 19.388 33.822 -4.541 1.00 42.34 C ATOM 785 OE1 GLU A 56 19.086 34.762 -3.777 1.00 5.04 O ATOM 786 OE2 GLU A 56 20.317 33.020 -4.308 1.00 53.12 O ATOM 0 H GLU A 56 15.516 30.860 -6.364 1.00 15.33 H new ATOM 0 HA GLU A 56 18.205 31.218 -5.236 1.00 31.14 H new ATOM 0 HB2 GLU A 56 16.562 33.312 -6.419 1.00 64.20 H new ATOM 0 HB3 GLU A 56 16.763 33.598 -4.702 1.00 64.20 H new ATOM 0 HG2 GLU A 56 19.126 32.976 -6.489 1.00 53.20 H new ATOM 0 HG3 GLU A 56 18.503 34.606 -6.325 1.00 53.20 H new ATOM 793 N ILE A 57 17.058 30.403 -3.191 1.00 12.42 N ATOM 794 CA ILE A 57 16.480 30.033 -1.905 1.00 31.10 C ATOM 795 C ILE A 57 17.337 30.540 -0.750 1.00 65.34 C ATOM 796 O ILE A 57 18.416 30.010 -0.487 1.00 22.41 O ATOM 797 CB ILE A 57 16.319 28.506 -1.779 1.00 3.42 C ATOM 798 CG1 ILE A 57 16.038 28.120 -0.325 1.00 63.44 C ATOM 799 CG2 ILE A 57 17.565 27.799 -2.290 1.00 25.35 C ATOM 800 CD1 ILE A 57 14.876 28.870 0.286 1.00 40.42 C ATOM 0 H ILE A 57 17.937 29.934 -3.409 1.00 12.42 H new ATOM 0 HA ILE A 57 15.496 30.499 -1.855 1.00 31.10 H new ATOM 0 HB ILE A 57 15.472 28.192 -2.389 1.00 3.42 H new ATOM 0 HG12 ILE A 57 15.836 27.050 -0.274 1.00 63.44 H new ATOM 0 HG13 ILE A 57 16.932 28.304 0.271 1.00 63.44 H new ATOM 0 HG21 ILE A 57 17.436 26.721 -2.195 1.00 25.35 H new ATOM 0 HG22 ILE A 57 17.724 28.054 -3.338 1.00 25.35 H new ATOM 0 HG23 ILE A 57 18.428 28.115 -1.704 1.00 25.35 H new ATOM 0 HD11 ILE A 57 14.735 28.545 1.317 1.00 40.42 H new ATOM 0 HD12 ILE A 57 15.083 29.940 0.268 1.00 40.42 H new ATOM 0 HD13 ILE A 57 13.971 28.666 -0.286 1.00 40.42 H new ATOM 812 N GLU A 58 16.849 31.568 -0.064 1.00 53.13 N ATOM 813 CA GLU A 58 17.571 32.146 1.063 1.00 33.53 C ATOM 814 C GLU A 58 16.831 31.887 2.373 1.00 42.02 C ATOM 815 O GLU A 58 15.686 31.436 2.373 1.00 70.43 O ATOM 816 CB GLU A 58 17.760 33.650 0.860 1.00 55.30 C ATOM 817 CG GLU A 58 18.471 34.005 -0.435 1.00 74.01 C ATOM 818 CD GLU A 58 18.442 35.493 -0.728 1.00 72.50 C ATOM 819 OE1 GLU A 58 19.121 36.253 -0.007 1.00 52.02 O ATOM 820 OE2 GLU A 58 17.740 35.896 -1.679 1.00 34.30 O ATOM 0 H GLU A 58 15.957 32.018 -0.269 1.00 53.13 H new ATOM 0 HA GLU A 58 18.550 31.669 1.118 1.00 33.53 H new ATOM 0 HB2 GLU A 58 16.784 34.135 0.874 1.00 55.30 H new ATOM 0 HB3 GLU A 58 18.328 34.053 1.699 1.00 55.30 H new ATOM 0 HG2 GLU A 58 19.507 33.669 -0.380 1.00 74.01 H new ATOM 0 HG3 GLU A 58 18.005 33.467 -1.260 1.00 74.01 H new ATOM 827 N SER A 59 17.495 32.176 3.488 1.00 50.14 N ATOM 828 CA SER A 59 16.903 31.971 4.805 1.00 43.15 C ATOM 829 C SER A 59 16.504 33.302 5.434 1.00 45.40 C ATOM 830 O SER A 59 17.253 34.278 5.375 1.00 13.31 O ATOM 831 CB SER A 59 17.885 31.235 5.719 1.00 53.41 C ATOM 832 OG SER A 59 18.767 32.143 6.356 1.00 51.22 O ATOM 0 H SER A 59 18.443 32.553 3.506 1.00 50.14 H new ATOM 0 HA SER A 59 16.006 31.364 4.683 1.00 43.15 H new ATOM 0 HB2 SER A 59 17.334 30.671 6.471 1.00 53.41 H new ATOM 0 HB3 SER A 59 18.459 30.514 5.136 1.00 53.41 H new ATOM 0 HG SER A 59 19.383 31.648 6.936 1.00 51.22 H new ATOM 838 N ARG A 60 15.320 33.334 6.036 1.00 21.32 N ATOM 839 CA ARG A 60 14.820 34.545 6.676 1.00 61.42 C ATOM 840 C ARG A 60 14.375 34.259 8.107 1.00 11.22 C ATOM 841 O ARG A 60 14.293 33.103 8.525 1.00 44.24 O ATOM 842 CB ARG A 60 13.654 35.126 5.874 1.00 2.22 C ATOM 843 CG ARG A 60 13.520 36.635 6.002 1.00 34.20 C ATOM 844 CD ARG A 60 12.596 37.204 4.936 1.00 4.02 C ATOM 845 NE ARG A 60 12.997 38.547 4.526 1.00 40.04 N ATOM 846 CZ ARG A 60 12.870 39.620 5.298 1.00 3.21 C ATOM 847 NH1 ARG A 60 12.357 39.508 6.515 1.00 21.04 N ATOM 848 NH2 ARG A 60 13.258 40.809 4.853 1.00 30.24 N ATOM 0 H ARG A 60 14.689 32.535 6.094 1.00 21.32 H new ATOM 0 HA ARG A 60 15.631 35.273 6.705 1.00 61.42 H new ATOM 0 HB2 ARG A 60 13.783 34.869 4.823 1.00 2.22 H new ATOM 0 HB3 ARG A 60 12.727 34.658 6.205 1.00 2.22 H new ATOM 0 HG2 ARG A 60 13.134 36.885 6.990 1.00 34.20 H new ATOM 0 HG3 ARG A 60 14.503 37.097 5.917 1.00 34.20 H new ATOM 0 HD2 ARG A 60 12.595 36.545 4.068 1.00 4.02 H new ATOM 0 HD3 ARG A 60 11.575 37.231 5.317 1.00 4.02 H new ATOM 0 HE ARG A 60 13.397 38.668 3.595 1.00 40.04 H new ATOM 0 HH11 ARG A 60 12.059 38.596 6.861 1.00 21.04 H new ATOM 0 HH12 ARG A 60 12.261 40.334 7.106 1.00 21.04 H new ATOM 0 HH21 ARG A 60 13.654 40.899 3.917 1.00 30.24 H new ATOM 0 HH22 ARG A 60 13.160 41.633 5.447 1.00 30.24 H new ATOM 862 N LEU A 61 14.089 35.319 8.855 1.00 54.44 N ATOM 863 CA LEU A 61 13.652 35.184 10.240 1.00 71.41 C ATOM 864 C LEU A 61 12.129 35.163 10.331 1.00 5.24 C ATOM 865 O LEU A 61 11.440 35.779 9.519 1.00 22.15 O ATOM 866 CB LEU A 61 14.210 36.330 11.086 1.00 72.52 C ATOM 867 CG LEU A 61 15.528 36.050 11.809 1.00 50.25 C ATOM 868 CD1 LEU A 61 15.325 35.022 12.911 1.00 41.23 C ATOM 869 CD2 LEU A 61 16.586 35.577 10.823 1.00 25.52 C ATOM 0 H LEU A 61 14.152 36.282 8.525 1.00 54.44 H new ATOM 0 HA LEU A 61 14.033 34.238 10.625 1.00 71.41 H new ATOM 0 HB2 LEU A 61 14.350 37.197 10.440 1.00 72.52 H new ATOM 0 HB3 LEU A 61 13.462 36.604 11.830 1.00 72.52 H new ATOM 0 HG LEU A 61 15.874 36.977 12.266 1.00 50.25 H new ATOM 0 HD11 LEU A 61 16.274 34.836 13.414 1.00 41.23 H new ATOM 0 HD12 LEU A 61 14.600 35.400 13.632 1.00 41.23 H new ATOM 0 HD13 LEU A 61 14.955 34.093 12.478 1.00 41.23 H new ATOM 0 HD21 LEU A 61 17.518 35.382 11.354 1.00 25.52 H new ATOM 0 HD22 LEU A 61 16.247 34.662 10.337 1.00 25.52 H new ATOM 0 HD23 LEU A 61 16.752 36.347 10.070 1.00 25.52 H new ATOM 881 N GLY A 62 11.611 34.452 11.328 1.00 30.20 N ATOM 882 CA GLY A 62 10.174 34.366 11.509 1.00 54.21 C ATOM 883 C GLY A 62 9.699 35.110 12.742 1.00 61.42 C ATOM 884 O GLY A 62 8.863 36.007 12.651 1.00 52.15 O ATOM 0 H GLY A 62 12.161 33.934 12.013 1.00 30.20 H new ATOM 0 HA2 GLY A 62 9.675 34.772 10.629 1.00 54.21 H new ATOM 0 HA3 GLY A 62 9.883 33.318 11.586 1.00 54.21 H new ATOM 888 N GLY A 63 10.234 34.734 13.900 1.00 74.11 N ATOM 889 CA GLY A 63 9.846 35.380 15.140 1.00 2.41 C ATOM 890 C GLY A 63 10.215 34.561 16.361 1.00 44.21 C ATOM 891 O GLY A 63 11.056 34.970 17.162 1.00 4.31 O ATOM 0 H GLY A 63 10.929 33.994 14.001 1.00 74.11 H new ATOM 0 HA2 GLY A 63 10.326 36.357 15.203 1.00 2.41 H new ATOM 0 HA3 GLY A 63 8.770 35.553 15.134 1.00 2.41 H new ATOM 895 N THR A 64 9.584 33.400 16.506 1.00 40.22 N ATOM 896 CA THR A 64 9.848 32.523 17.639 1.00 63.30 C ATOM 897 C THR A 64 9.303 31.121 17.388 1.00 0.53 C ATOM 898 O THR A 64 8.094 30.899 17.429 1.00 32.10 O ATOM 899 CB THR A 64 9.229 33.078 18.936 1.00 63.23 C ATOM 900 OG1 THR A 64 8.237 34.062 18.623 1.00 63.12 O ATOM 901 CG2 THR A 64 10.299 33.693 19.826 1.00 54.35 C ATOM 0 H THR A 64 8.886 33.045 15.852 1.00 40.22 H new ATOM 0 HA THR A 64 10.931 32.474 17.755 1.00 63.30 H new ATOM 0 HB THR A 64 8.763 32.252 19.473 1.00 63.23 H new ATOM 0 HG1 THR A 64 7.847 34.409 19.453 1.00 63.12 H new ATOM 0 HG21 THR A 64 9.838 34.078 20.736 1.00 54.35 H new ATOM 0 HG22 THR A 64 11.036 32.934 20.086 1.00 54.35 H new ATOM 0 HG23 THR A 64 10.790 34.508 19.295 1.00 54.35 H new ATOM 909 N GLY A 65 10.204 30.178 17.129 1.00 12.32 N ATOM 910 CA GLY A 65 9.793 28.810 16.876 1.00 31.42 C ATOM 911 C GLY A 65 8.725 28.713 15.805 1.00 43.45 C ATOM 912 O GLY A 65 7.580 28.367 16.090 1.00 74.53 O ATOM 0 H GLY A 65 11.211 30.337 17.090 1.00 12.32 H new ATOM 0 HA2 GLY A 65 10.661 28.224 16.573 1.00 31.42 H new ATOM 0 HA3 GLY A 65 9.417 28.370 17.800 1.00 31.42 H new ATOM 916 N ALA A 66 9.101 29.023 14.568 1.00 51.11 N ATOM 917 CA ALA A 66 8.167 28.969 13.450 1.00 41.51 C ATOM 918 C ALA A 66 8.799 28.292 12.239 1.00 61.12 C ATOM 919 O ALA A 66 9.992 27.989 12.237 1.00 64.32 O ATOM 920 CB ALA A 66 7.697 30.370 13.088 1.00 54.34 C ATOM 0 H ALA A 66 10.045 29.314 14.315 1.00 51.11 H new ATOM 0 HA ALA A 66 7.305 28.376 13.756 1.00 41.51 H new ATOM 0 HB1 ALA A 66 7.000 30.315 12.252 1.00 54.34 H new ATOM 0 HB2 ALA A 66 7.199 30.820 13.947 1.00 54.34 H new ATOM 0 HB3 ALA A 66 8.555 30.980 12.806 1.00 54.34 H new ATOM 926 N PHE A 67 7.992 28.056 11.210 1.00 15.21 N ATOM 927 CA PHE A 67 8.472 27.412 9.993 1.00 52.41 C ATOM 928 C PHE A 67 7.624 27.820 8.791 1.00 21.13 C ATOM 929 O PHE A 67 7.205 26.976 8.000 1.00 32.33 O ATOM 930 CB PHE A 67 8.451 25.891 10.153 1.00 24.13 C ATOM 931 CG PHE A 67 9.375 25.176 9.208 1.00 14.14 C ATOM 932 CD1 PHE A 67 10.748 25.254 9.370 1.00 65.04 C ATOM 933 CD2 PHE A 67 8.868 24.427 8.159 1.00 63.34 C ATOM 934 CE1 PHE A 67 11.601 24.597 8.502 1.00 11.11 C ATOM 935 CE2 PHE A 67 9.716 23.767 7.288 1.00 13.43 C ATOM 936 CZ PHE A 67 11.084 23.854 7.459 1.00 34.35 C ATOM 0 H PHE A 67 7.002 28.301 11.195 1.00 15.21 H new ATOM 0 HA PHE A 67 9.498 27.738 9.820 1.00 52.41 H new ATOM 0 HB2 PHE A 67 8.724 25.638 11.177 1.00 24.13 H new ATOM 0 HB3 PHE A 67 7.434 25.531 9.996 1.00 24.13 H new ATOM 0 HD1 PHE A 67 11.157 25.835 10.183 1.00 65.04 H new ATOM 0 HD2 PHE A 67 7.799 24.358 8.020 1.00 63.34 H new ATOM 0 HE1 PHE A 67 12.670 24.665 8.640 1.00 11.11 H new ATOM 0 HE2 PHE A 67 9.309 23.184 6.475 1.00 13.43 H new ATOM 0 HZ PHE A 67 11.748 23.342 6.778 1.00 34.35 H new ATOM 946 N GLU A 68 7.376 29.120 8.663 1.00 63.41 N ATOM 947 CA GLU A 68 6.578 29.639 7.559 1.00 74.21 C ATOM 948 C GLU A 68 7.338 29.531 6.240 1.00 15.50 C ATOM 949 O GLU A 68 8.402 30.129 6.074 1.00 34.45 O ATOM 950 CB GLU A 68 6.192 31.096 7.821 1.00 53.23 C ATOM 951 CG GLU A 68 5.130 31.261 8.895 1.00 2.13 C ATOM 952 CD GLU A 68 4.688 32.702 9.062 1.00 32.10 C ATOM 953 OE1 GLU A 68 4.637 33.429 8.048 1.00 75.41 O ATOM 954 OE2 GLU A 68 4.393 33.102 10.208 1.00 54.44 O ATOM 0 H GLU A 68 7.716 29.832 9.310 1.00 63.41 H new ATOM 0 HA GLU A 68 5.671 29.038 7.485 1.00 74.21 H new ATOM 0 HB2 GLU A 68 7.083 31.652 8.114 1.00 53.23 H new ATOM 0 HB3 GLU A 68 5.830 31.540 6.893 1.00 53.23 H new ATOM 0 HG2 GLU A 68 4.266 30.647 8.643 1.00 2.13 H new ATOM 0 HG3 GLU A 68 5.518 30.892 9.844 1.00 2.13 H new ATOM 961 N ILE A 69 6.784 28.766 5.306 1.00 52.24 N ATOM 962 CA ILE A 69 7.408 28.581 4.002 1.00 64.23 C ATOM 963 C ILE A 69 6.926 29.631 3.007 1.00 73.33 C ATOM 964 O ILE A 69 5.732 29.917 2.923 1.00 50.24 O ATOM 965 CB ILE A 69 7.119 27.179 3.433 1.00 52.21 C ATOM 966 CG1 ILE A 69 7.627 26.101 4.392 1.00 34.32 C ATOM 967 CG2 ILE A 69 7.760 27.021 2.062 1.00 31.03 C ATOM 968 CD1 ILE A 69 6.997 24.744 4.164 1.00 10.34 C ATOM 0 H ILE A 69 5.904 28.264 5.428 1.00 52.24 H new ATOM 0 HA ILE A 69 8.483 28.690 4.149 1.00 64.23 H new ATOM 0 HB ILE A 69 6.041 27.063 3.324 1.00 52.21 H new ATOM 0 HG12 ILE A 69 8.708 26.013 4.287 1.00 34.32 H new ATOM 0 HG13 ILE A 69 7.431 26.416 5.417 1.00 34.32 H new ATOM 0 HG21 ILE A 69 7.547 26.025 1.673 1.00 31.03 H new ATOM 0 HG22 ILE A 69 7.355 27.770 1.382 1.00 31.03 H new ATOM 0 HG23 ILE A 69 8.838 27.154 2.147 1.00 31.03 H new ATOM 0 HD11 ILE A 69 7.404 24.029 4.879 1.00 10.34 H new ATOM 0 HD12 ILE A 69 5.918 24.817 4.298 1.00 10.34 H new ATOM 0 HD13 ILE A 69 7.215 24.407 3.150 1.00 10.34 H new ATOM 980 N GLU A 70 7.862 30.199 2.254 1.00 41.34 N ATOM 981 CA GLU A 70 7.531 31.217 1.263 1.00 22.11 C ATOM 982 C GLU A 70 8.112 30.857 -0.101 1.00 53.15 C ATOM 983 O GLU A 70 9.309 31.019 -0.341 1.00 13.14 O ATOM 984 CB GLU A 70 8.056 32.584 1.708 1.00 32.55 C ATOM 985 CG GLU A 70 7.646 32.962 3.122 1.00 75.03 C ATOM 986 CD GLU A 70 8.004 34.394 3.470 1.00 64.52 C ATOM 987 OE1 GLU A 70 9.212 34.704 3.536 1.00 61.23 O ATOM 988 OE2 GLU A 70 7.077 35.204 3.676 1.00 35.30 O ATOM 0 H GLU A 70 8.855 29.972 2.311 1.00 41.34 H new ATOM 0 HA GLU A 70 6.445 31.263 1.176 1.00 22.11 H new ATOM 0 HB2 GLU A 70 9.144 32.585 1.641 1.00 32.55 H new ATOM 0 HB3 GLU A 70 7.693 33.346 1.018 1.00 32.55 H new ATOM 0 HG2 GLU A 70 6.571 32.823 3.234 1.00 75.03 H new ATOM 0 HG3 GLU A 70 8.130 32.288 3.829 1.00 75.03 H new ATOM 995 N ILE A 71 7.255 30.368 -0.992 1.00 23.12 N ATOM 996 CA ILE A 71 7.682 29.986 -2.332 1.00 24.41 C ATOM 997 C ILE A 71 7.999 31.213 -3.179 1.00 51.32 C ATOM 998 O ILE A 71 8.775 31.140 -4.131 1.00 21.12 O ATOM 999 CB ILE A 71 6.608 29.145 -3.047 1.00 51.41 C ATOM 1000 CG1 ILE A 71 7.093 28.736 -4.439 1.00 73.42 C ATOM 1001 CG2 ILE A 71 5.304 29.923 -3.142 1.00 52.10 C ATOM 1002 CD1 ILE A 71 8.385 27.950 -4.422 1.00 22.10 C ATOM 0 H ILE A 71 6.261 30.227 -0.810 1.00 23.12 H new ATOM 0 HA ILE A 71 8.584 29.385 -2.216 1.00 24.41 H new ATOM 0 HB ILE A 71 6.428 28.241 -2.465 1.00 51.41 H new ATOM 0 HG12 ILE A 71 6.320 28.139 -4.923 1.00 73.42 H new ATOM 0 HG13 ILE A 71 7.230 29.632 -5.045 1.00 73.42 H new ATOM 0 HG21 ILE A 71 4.554 29.316 -3.650 1.00 52.10 H new ATOM 0 HG22 ILE A 71 4.953 30.169 -2.140 1.00 52.10 H new ATOM 0 HG23 ILE A 71 5.469 30.842 -3.705 1.00 52.10 H new ATOM 0 HD11 ILE A 71 8.669 27.694 -5.443 1.00 22.10 H new ATOM 0 HD12 ILE A 71 9.171 28.552 -3.967 1.00 22.10 H new ATOM 0 HD13 ILE A 71 8.247 27.036 -3.844 1.00 22.10 H new ATOM 1014 N ASN A 72 7.393 32.342 -2.825 1.00 2.10 N ATOM 1015 CA ASN A 72 7.611 33.587 -3.552 1.00 44.32 C ATOM 1016 C ASN A 72 7.757 34.761 -2.589 1.00 3.41 C ATOM 1017 O ASN A 72 7.319 35.874 -2.879 1.00 32.25 O ATOM 1018 CB ASN A 72 6.454 33.847 -4.519 1.00 3.00 C ATOM 1019 CG ASN A 72 5.962 32.577 -5.186 1.00 11.12 C ATOM 1020 OD1 ASN A 72 4.799 32.199 -5.043 1.00 61.34 O ATOM 1021 ND2 ASN A 72 6.848 31.912 -5.919 1.00 14.24 N ATOM 0 H ASN A 72 6.747 32.420 -2.039 1.00 2.10 H new ATOM 0 HA ASN A 72 8.536 33.489 -4.121 1.00 44.32 H new ATOM 0 HB2 ASN A 72 5.630 34.313 -3.979 1.00 3.00 H new ATOM 0 HB3 ASN A 72 6.775 34.555 -5.283 1.00 3.00 H new ATOM 0 HD21 ASN A 72 6.575 31.050 -6.392 1.00 14.24 H new ATOM 0 HD22 ASN A 72 7.801 32.263 -6.009 1.00 14.24 H new ATOM 1028 N GLY A 73 8.378 34.505 -1.441 1.00 75.21 N ATOM 1029 CA GLY A 73 8.571 35.550 -0.453 1.00 31.33 C ATOM 1030 C GLY A 73 7.350 35.753 0.422 1.00 10.23 C ATOM 1031 O GLY A 73 7.388 36.523 1.382 1.00 24.50 O ATOM 0 H GLY A 73 8.751 33.593 -1.178 1.00 75.21 H new ATOM 0 HA2 GLY A 73 9.426 35.299 0.174 1.00 31.33 H new ATOM 0 HA3 GLY A 73 8.811 36.485 -0.960 1.00 31.33 H new ATOM 1035 N GLN A 74 6.264 35.063 0.090 1.00 53.45 N ATOM 1036 CA GLN A 74 5.026 35.175 0.851 1.00 35.24 C ATOM 1037 C GLN A 74 4.600 33.817 1.401 1.00 43.04 C ATOM 1038 O GLN A 74 4.872 32.778 0.797 1.00 50.43 O ATOM 1039 CB GLN A 74 3.914 35.755 -0.024 1.00 75.13 C ATOM 1040 CG GLN A 74 3.971 37.268 -0.158 1.00 1.13 C ATOM 1041 CD GLN A 74 3.298 37.769 -1.420 1.00 74.32 C ATOM 1042 OE1 GLN A 74 2.177 38.277 -1.380 1.00 12.20 O ATOM 1043 NE2 GLN A 74 3.979 37.627 -2.551 1.00 3.50 N ATOM 0 H GLN A 74 6.216 34.421 -0.701 1.00 53.45 H new ATOM 0 HA GLN A 74 5.205 35.847 1.690 1.00 35.24 H new ATOM 0 HB2 GLN A 74 3.974 35.308 -1.016 1.00 75.13 H new ATOM 0 HB3 GLN A 74 2.948 35.472 0.395 1.00 75.13 H new ATOM 0 HG2 GLN A 74 3.493 37.724 0.709 1.00 1.13 H new ATOM 0 HG3 GLN A 74 5.012 37.590 -0.154 1.00 1.13 H new ATOM 0 HE21 GLN A 74 4.905 37.200 -2.538 1.00 3.50 H new ATOM 0 HE22 GLN A 74 3.576 37.945 -3.432 1.00 3.50 H new ATOM 1052 N LEU A 75 3.933 33.832 2.549 1.00 74.20 N ATOM 1053 CA LEU A 75 3.470 32.601 3.181 1.00 55.13 C ATOM 1054 C LEU A 75 2.431 31.900 2.311 1.00 63.33 C ATOM 1055 O LEU A 75 1.364 32.448 2.035 1.00 43.31 O ATOM 1056 CB LEU A 75 2.877 32.903 4.558 1.00 1.32 C ATOM 1057 CG LEU A 75 2.484 31.689 5.401 1.00 40.32 C ATOM 1058 CD1 LEU A 75 3.684 30.781 5.620 1.00 32.15 C ATOM 1059 CD2 LEU A 75 1.897 32.132 6.733 1.00 2.31 C ATOM 0 H LEU A 75 3.700 34.683 3.062 1.00 74.20 H new ATOM 0 HA LEU A 75 4.327 31.938 3.298 1.00 55.13 H new ATOM 0 HB2 LEU A 75 3.600 33.493 5.121 1.00 1.32 H new ATOM 0 HB3 LEU A 75 1.994 33.527 4.422 1.00 1.32 H new ATOM 0 HG LEU A 75 1.722 31.126 4.861 1.00 40.32 H new ATOM 0 HD11 LEU A 75 3.386 29.923 6.222 1.00 32.15 H new ATOM 0 HD12 LEU A 75 4.060 30.436 4.657 1.00 32.15 H new ATOM 0 HD13 LEU A 75 4.468 31.333 6.139 1.00 32.15 H new ATOM 0 HD21 LEU A 75 1.623 31.255 7.320 1.00 2.31 H new ATOM 0 HD22 LEU A 75 2.636 32.718 7.280 1.00 2.31 H new ATOM 0 HD23 LEU A 75 1.011 32.741 6.555 1.00 2.31 H new ATOM 1071 N VAL A 76 2.750 30.682 1.883 1.00 43.32 N ATOM 1072 CA VAL A 76 1.844 29.904 1.047 1.00 61.10 C ATOM 1073 C VAL A 76 1.435 28.608 1.738 1.00 4.13 C ATOM 1074 O VAL A 76 0.363 28.063 1.476 1.00 41.04 O ATOM 1075 CB VAL A 76 2.484 29.568 -0.313 1.00 22.51 C ATOM 1076 CG1 VAL A 76 1.482 28.865 -1.216 1.00 51.21 C ATOM 1077 CG2 VAL A 76 3.020 30.828 -0.976 1.00 33.14 C ATOM 0 H VAL A 76 3.629 30.213 2.102 1.00 43.32 H new ATOM 0 HA VAL A 76 0.959 30.519 0.882 1.00 61.10 H new ATOM 0 HB VAL A 76 3.321 28.891 -0.143 1.00 22.51 H new ATOM 0 HG11 VAL A 76 1.952 28.636 -2.172 1.00 51.21 H new ATOM 0 HG12 VAL A 76 1.152 27.940 -0.743 1.00 51.21 H new ATOM 0 HG13 VAL A 76 0.623 29.515 -1.381 1.00 51.21 H new ATOM 0 HG21 VAL A 76 3.469 30.571 -1.936 1.00 33.14 H new ATOM 0 HG22 VAL A 76 2.203 31.532 -1.134 1.00 33.14 H new ATOM 0 HG23 VAL A 76 3.773 31.285 -0.334 1.00 33.14 H new ATOM 1087 N PHE A 77 2.297 28.119 2.624 1.00 11.32 N ATOM 1088 CA PHE A 77 2.026 26.886 3.354 1.00 1.32 C ATOM 1089 C PHE A 77 2.803 26.850 4.667 1.00 32.31 C ATOM 1090 O PHE A 77 3.977 26.481 4.696 1.00 11.22 O ATOM 1091 CB PHE A 77 2.391 25.671 2.499 1.00 43.54 C ATOM 1092 CG PHE A 77 1.370 25.351 1.445 1.00 53.40 C ATOM 1093 CD1 PHE A 77 0.095 24.941 1.799 1.00 32.34 C ATOM 1094 CD2 PHE A 77 1.685 25.461 0.100 1.00 34.11 C ATOM 1095 CE1 PHE A 77 -0.848 24.646 0.832 1.00 22.34 C ATOM 1096 CE2 PHE A 77 0.746 25.168 -0.871 1.00 61.32 C ATOM 1097 CZ PHE A 77 -0.521 24.758 -0.505 1.00 11.53 C ATOM 0 H PHE A 77 3.189 28.558 2.854 1.00 11.32 H new ATOM 0 HA PHE A 77 0.960 26.854 3.581 1.00 1.32 H new ATOM 0 HB2 PHE A 77 3.353 25.850 2.019 1.00 43.54 H new ATOM 0 HB3 PHE A 77 2.515 24.804 3.148 1.00 43.54 H new ATOM 0 HD1 PHE A 77 -0.166 24.851 2.843 1.00 32.34 H new ATOM 0 HD2 PHE A 77 2.675 25.779 -0.193 1.00 34.11 H new ATOM 0 HE1 PHE A 77 -1.839 24.328 1.122 1.00 22.34 H new ATOM 0 HE2 PHE A 77 1.003 25.260 -1.916 1.00 61.32 H new ATOM 0 HZ PHE A 77 -1.255 24.525 -1.263 1.00 11.53 H new ATOM 1107 N SER A 78 2.138 27.235 5.752 1.00 43.43 N ATOM 1108 CA SER A 78 2.766 27.251 7.068 1.00 44.34 C ATOM 1109 C SER A 78 2.700 25.873 7.718 1.00 35.03 C ATOM 1110 O SER A 78 1.848 25.052 7.376 1.00 11.33 O ATOM 1111 CB SER A 78 2.088 28.286 7.967 1.00 12.05 C ATOM 1112 OG SER A 78 1.453 29.292 7.198 1.00 14.43 O ATOM 0 H SER A 78 1.165 27.540 5.745 1.00 43.43 H new ATOM 0 HA SER A 78 3.814 27.523 6.941 1.00 44.34 H new ATOM 0 HB2 SER A 78 1.354 27.793 8.604 1.00 12.05 H new ATOM 0 HB3 SER A 78 2.828 28.740 8.626 1.00 12.05 H new ATOM 0 HG SER A 78 0.666 29.623 7.679 1.00 14.43 H new ATOM 1118 N LYS A 79 3.605 25.625 8.659 1.00 54.30 N ATOM 1119 CA LYS A 79 3.650 24.348 9.360 1.00 20.23 C ATOM 1120 C LYS A 79 3.097 24.484 10.775 1.00 30.03 C ATOM 1121 O LYS A 79 2.673 23.501 11.384 1.00 21.25 O ATOM 1122 CB LYS A 79 5.086 23.821 9.411 1.00 1.31 C ATOM 1123 CG LYS A 79 5.218 22.482 10.115 1.00 62.45 C ATOM 1124 CD LYS A 79 5.599 22.654 11.575 1.00 33.04 C ATOM 1125 CE LYS A 79 5.255 21.417 12.391 1.00 60.33 C ATOM 1126 NZ LYS A 79 3.789 21.154 12.409 1.00 3.10 N ATOM 0 H LYS A 79 4.318 26.293 8.954 1.00 54.30 H new ATOM 0 HA LYS A 79 3.028 23.640 8.812 1.00 20.23 H new ATOM 0 HB2 LYS A 79 5.466 23.726 8.394 1.00 1.31 H new ATOM 0 HB3 LYS A 79 5.715 24.552 9.919 1.00 1.31 H new ATOM 0 HG2 LYS A 79 4.275 21.939 10.046 1.00 62.45 H new ATOM 0 HG3 LYS A 79 5.972 21.878 9.610 1.00 62.45 H new ATOM 0 HD2 LYS A 79 6.667 22.856 11.652 1.00 33.04 H new ATOM 0 HD3 LYS A 79 5.080 23.519 11.988 1.00 33.04 H new ATOM 0 HE2 LYS A 79 5.774 20.553 11.976 1.00 60.33 H new ATOM 0 HE3 LYS A 79 5.614 21.544 13.412 1.00 60.33 H new ATOM 0 HZ1 LYS A 79 3.474 21.010 13.390 1.00 3.10 H new ATOM 0 HZ2 LYS A 79 3.285 21.966 11.999 1.00 3.10 H new ATOM 0 HZ3 LYS A 79 3.582 20.301 11.851 1.00 3.10 H new ATOM 1140 N LEU A 80 3.103 25.708 11.293 1.00 75.55 N ATOM 1141 CA LEU A 80 2.600 25.973 12.636 1.00 33.40 C ATOM 1142 C LEU A 80 1.075 25.933 12.664 1.00 1.34 C ATOM 1143 O LEU A 80 0.469 25.771 13.723 1.00 60.42 O ATOM 1144 CB LEU A 80 3.095 27.334 13.128 1.00 23.51 C ATOM 1145 CG LEU A 80 4.349 27.315 14.004 1.00 74.21 C ATOM 1146 CD1 LEU A 80 5.488 26.605 13.290 1.00 44.13 C ATOM 1147 CD2 LEU A 80 4.755 28.731 14.384 1.00 12.21 C ATOM 0 H LEU A 80 3.451 26.532 10.803 1.00 75.55 H new ATOM 0 HA LEU A 80 2.978 25.195 13.299 1.00 33.40 H new ATOM 0 HB2 LEU A 80 3.292 27.962 12.259 1.00 23.51 H new ATOM 0 HB3 LEU A 80 2.291 27.810 13.689 1.00 23.51 H new ATOM 0 HG LEU A 80 4.123 26.766 14.918 1.00 74.21 H new ATOM 0 HD11 LEU A 80 6.372 26.601 13.928 1.00 44.13 H new ATOM 0 HD12 LEU A 80 5.195 25.578 13.069 1.00 44.13 H new ATOM 0 HD13 LEU A 80 5.715 27.125 12.360 1.00 44.13 H new ATOM 0 HD21 LEU A 80 5.649 28.698 15.007 1.00 12.21 H new ATOM 0 HD22 LEU A 80 4.963 29.305 13.481 1.00 12.21 H new ATOM 0 HD23 LEU A 80 3.944 29.206 14.937 1.00 12.21 H new ATOM 1159 N GLU A 81 0.462 26.081 11.494 1.00 45.31 N ATOM 1160 CA GLU A 81 -0.992 26.061 11.386 1.00 44.14 C ATOM 1161 C GLU A 81 -1.485 24.688 10.939 1.00 21.34 C ATOM 1162 O GLU A 81 -2.204 24.007 11.670 1.00 4.30 O ATOM 1163 CB GLU A 81 -1.467 27.131 10.400 1.00 24.30 C ATOM 1164 CG GLU A 81 -0.880 28.507 10.666 1.00 71.00 C ATOM 1165 CD GLU A 81 -1.184 29.011 12.064 1.00 70.54 C ATOM 1166 OE1 GLU A 81 -2.366 28.969 12.464 1.00 12.04 O ATOM 1167 OE2 GLU A 81 -0.241 29.446 12.756 1.00 2.02 O ATOM 0 H GLU A 81 0.949 26.216 10.608 1.00 45.31 H new ATOM 0 HA GLU A 81 -1.407 26.275 12.371 1.00 44.14 H new ATOM 0 HB2 GLU A 81 -1.205 26.823 9.388 1.00 24.30 H new ATOM 0 HB3 GLU A 81 -2.554 27.195 10.442 1.00 24.30 H new ATOM 0 HG2 GLU A 81 0.200 28.471 10.524 1.00 71.00 H new ATOM 0 HG3 GLU A 81 -1.274 29.213 9.935 1.00 71.00 H new ATOM 1174 N ASN A 82 -1.093 24.288 9.734 1.00 73.31 N ATOM 1175 CA ASN A 82 -1.496 22.996 9.189 1.00 51.42 C ATOM 1176 C ASN A 82 -1.168 21.869 10.162 1.00 24.44 C ATOM 1177 O ASN A 82 -1.907 20.891 10.268 1.00 22.15 O ATOM 1178 CB ASN A 82 -0.802 22.746 7.848 1.00 12.43 C ATOM 1179 CG ASN A 82 -1.444 21.616 7.067 1.00 53.42 C ATOM 1180 OD1 ASN A 82 -2.237 21.850 6.155 1.00 74.03 O ATOM 1181 ND2 ASN A 82 -1.103 20.383 7.422 1.00 14.12 N ATOM 0 H ASN A 82 -0.497 24.839 9.116 1.00 73.31 H new ATOM 0 HA ASN A 82 -2.575 23.015 9.034 1.00 51.42 H new ATOM 0 HB2 ASN A 82 -0.830 23.658 7.252 1.00 12.43 H new ATOM 0 HB3 ASN A 82 0.248 22.512 8.023 1.00 12.43 H new ATOM 0 HD21 ASN A 82 -1.503 19.582 6.932 1.00 14.12 H new ATOM 0 HD22 ASN A 82 -0.441 20.236 8.184 1.00 14.12 H new ATOM 1188 N GLY A 83 -0.053 22.013 10.872 1.00 24.24 N ATOM 1189 CA GLY A 83 0.354 21.000 11.828 1.00 23.43 C ATOM 1190 C GLY A 83 0.908 19.758 11.157 1.00 12.32 C ATOM 1191 O GLY A 83 0.482 18.642 11.452 1.00 3.34 O ATOM 0 H GLY A 83 0.576 22.813 10.802 1.00 24.24 H new ATOM 0 HA2 GLY A 83 1.109 21.417 12.495 1.00 23.43 H new ATOM 0 HA3 GLY A 83 -0.500 20.725 12.447 1.00 23.43 H new ATOM 1236 N TYR A 87 8.235 18.426 2.772 1.00 31.21 N ATOM 1237 CA TYR A 87 8.560 17.288 1.921 1.00 71.34 C ATOM 1238 C TYR A 87 9.476 17.708 0.775 1.00 11.23 C ATOM 1239 O TYR A 87 9.442 18.854 0.329 1.00 40.25 O ATOM 1240 CB TYR A 87 7.282 16.660 1.362 1.00 14.40 C ATOM 1241 CG TYR A 87 6.210 16.438 2.406 1.00 64.44 C ATOM 1242 CD1 TYR A 87 6.323 15.414 3.338 1.00 60.20 C ATOM 1243 CD2 TYR A 87 5.086 17.252 2.460 1.00 73.03 C ATOM 1244 CE1 TYR A 87 5.346 15.206 4.293 1.00 43.34 C ATOM 1245 CE2 TYR A 87 4.105 17.053 3.412 1.00 73.23 C ATOM 1246 CZ TYR A 87 4.239 16.028 4.326 1.00 43.54 C ATOM 1247 OH TYR A 87 3.265 15.826 5.276 1.00 72.12 O ATOM 0 HA TYR A 87 9.083 16.551 2.530 1.00 71.34 H new ATOM 0 HB2 TYR A 87 6.885 17.303 0.576 1.00 14.40 H new ATOM 0 HB3 TYR A 87 7.529 15.705 0.898 1.00 14.40 H new ATOM 0 HD1 TYR A 87 7.189 14.769 3.316 1.00 60.20 H new ATOM 0 HD2 TYR A 87 4.977 18.054 1.745 1.00 73.03 H new ATOM 0 HE1 TYR A 87 5.449 14.404 5.009 1.00 43.34 H new ATOM 0 HE2 TYR A 87 3.238 17.696 3.441 1.00 73.23 H new ATOM 0 HH TYR A 87 2.554 16.491 5.162 1.00 72.12 H new ATOM 1257 N GLU A 88 10.293 16.771 0.305 1.00 1.01 N ATOM 1258 CA GLU A 88 11.219 17.044 -0.788 1.00 73.01 C ATOM 1259 C GLU A 88 10.465 17.266 -2.096 1.00 42.03 C ATOM 1260 O GLU A 88 10.974 17.904 -3.019 1.00 33.52 O ATOM 1261 CB GLU A 88 12.210 15.889 -0.947 1.00 53.02 C ATOM 1262 CG GLU A 88 11.586 14.626 -1.515 1.00 74.53 C ATOM 1263 CD GLU A 88 11.645 14.575 -3.030 1.00 1.53 C ATOM 1264 OE1 GLU A 88 12.147 15.544 -3.637 1.00 10.43 O ATOM 1265 OE2 GLU A 88 11.190 13.566 -3.608 1.00 15.34 O ATOM 0 H GLU A 88 10.333 15.817 0.664 1.00 1.01 H new ATOM 0 HA GLU A 88 11.769 17.954 -0.546 1.00 73.01 H new ATOM 0 HB2 GLU A 88 13.024 16.207 -1.599 1.00 53.02 H new ATOM 0 HB3 GLU A 88 12.649 15.662 0.024 1.00 53.02 H new ATOM 0 HG2 GLU A 88 12.100 13.756 -1.106 1.00 74.53 H new ATOM 0 HG3 GLU A 88 10.546 14.563 -1.193 1.00 74.53 H new ATOM 1272 N LYS A 89 9.250 16.735 -2.169 1.00 75.14 N ATOM 1273 CA LYS A 89 8.424 16.874 -3.363 1.00 13.10 C ATOM 1274 C LYS A 89 7.452 18.041 -3.219 1.00 34.21 C ATOM 1275 O LYS A 89 6.907 18.533 -4.207 1.00 61.03 O ATOM 1276 CB LYS A 89 7.649 15.581 -3.626 1.00 62.31 C ATOM 1277 CG LYS A 89 6.671 15.222 -2.521 1.00 53.21 C ATOM 1278 CD LYS A 89 6.087 13.834 -2.722 1.00 30.30 C ATOM 1279 CE LYS A 89 5.577 13.249 -1.414 1.00 22.22 C ATOM 1280 NZ LYS A 89 4.692 12.073 -1.640 1.00 14.13 N ATOM 0 H LYS A 89 8.815 16.204 -1.415 1.00 75.14 H new ATOM 0 HA LYS A 89 9.082 17.074 -4.208 1.00 13.10 H new ATOM 0 HB2 LYS A 89 7.104 15.679 -4.565 1.00 62.31 H new ATOM 0 HB3 LYS A 89 8.357 14.762 -3.753 1.00 62.31 H new ATOM 0 HG2 LYS A 89 7.177 15.269 -1.557 1.00 53.21 H new ATOM 0 HG3 LYS A 89 5.866 15.956 -2.494 1.00 53.21 H new ATOM 0 HD2 LYS A 89 5.271 13.882 -3.443 1.00 30.30 H new ATOM 0 HD3 LYS A 89 6.847 13.176 -3.144 1.00 30.30 H new ATOM 0 HE2 LYS A 89 6.423 12.953 -0.794 1.00 22.22 H new ATOM 0 HE3 LYS A 89 5.031 14.014 -0.863 1.00 22.22 H new ATOM 0 HZ1 LYS A 89 4.365 11.703 -0.724 1.00 14.13 H new ATOM 0 HZ2 LYS A 89 3.871 12.361 -2.210 1.00 14.13 H new ATOM 0 HZ3 LYS A 89 5.221 11.332 -2.144 1.00 14.13 H new ATOM 1294 N ASP A 90 7.240 18.479 -1.983 1.00 12.11 N ATOM 1295 CA ASP A 90 6.335 19.590 -1.710 1.00 43.02 C ATOM 1296 C ASP A 90 7.045 20.927 -1.897 1.00 42.32 C ATOM 1297 O ASP A 90 6.409 21.950 -2.156 1.00 35.51 O ATOM 1298 CB ASP A 90 5.781 19.487 -0.288 1.00 42.13 C ATOM 1299 CG ASP A 90 4.984 20.713 0.113 1.00 61.15 C ATOM 1300 OD1 ASP A 90 5.599 21.690 0.587 1.00 12.54 O ATOM 1301 OD2 ASP A 90 3.746 20.694 -0.048 1.00 14.22 O ATOM 0 H ASP A 90 7.682 18.082 -1.154 1.00 12.11 H new ATOM 0 HA ASP A 90 5.508 19.536 -2.418 1.00 43.02 H new ATOM 0 HB2 ASP A 90 5.147 18.604 -0.211 1.00 42.13 H new ATOM 0 HB3 ASP A 90 6.606 19.349 0.411 1.00 42.13 H new ATOM 1306 N LEU A 91 8.367 20.913 -1.764 1.00 12.34 N ATOM 1307 CA LEU A 91 9.164 22.125 -1.917 1.00 2.32 C ATOM 1308 C LEU A 91 9.568 22.331 -3.373 1.00 52.12 C ATOM 1309 O LEU A 91 9.867 23.450 -3.792 1.00 63.53 O ATOM 1310 CB LEU A 91 10.412 22.053 -1.035 1.00 41.21 C ATOM 1311 CG LEU A 91 10.224 22.453 0.429 1.00 52.43 C ATOM 1312 CD1 LEU A 91 11.242 21.747 1.310 1.00 11.04 C ATOM 1313 CD2 LEU A 91 10.334 23.963 0.587 1.00 21.24 C ATOM 0 H LEU A 91 8.909 20.076 -1.551 1.00 12.34 H new ATOM 0 HA LEU A 91 8.554 22.973 -1.605 1.00 2.32 H new ATOM 0 HB2 LEU A 91 10.796 21.033 -1.066 1.00 41.21 H new ATOM 0 HB3 LEU A 91 11.178 22.695 -1.471 1.00 41.21 H new ATOM 0 HG LEU A 91 9.227 22.146 0.745 1.00 52.43 H new ATOM 0 HD11 LEU A 91 11.093 22.044 2.348 1.00 11.04 H new ATOM 0 HD12 LEU A 91 11.116 20.668 1.219 1.00 11.04 H new ATOM 0 HD13 LEU A 91 12.249 22.022 0.995 1.00 11.04 H new ATOM 0 HD21 LEU A 91 10.198 24.230 1.635 1.00 21.24 H new ATOM 0 HD22 LEU A 91 11.318 24.293 0.253 1.00 21.24 H new ATOM 0 HD23 LEU A 91 9.565 24.449 -0.014 1.00 21.24 H new ATOM 1325 N ILE A 92 9.572 21.246 -4.140 1.00 35.33 N ATOM 1326 CA ILE A 92 9.935 21.308 -5.550 1.00 11.31 C ATOM 1327 C ILE A 92 8.706 21.534 -6.425 1.00 5.44 C ATOM 1328 O ILE A 92 8.800 22.118 -7.504 1.00 3.44 O ATOM 1329 CB ILE A 92 10.646 20.020 -6.006 1.00 13.32 C ATOM 1330 CG1 ILE A 92 11.238 20.206 -7.404 1.00 43.51 C ATOM 1331 CG2 ILE A 92 9.678 18.846 -5.986 1.00 44.35 C ATOM 1332 CD1 ILE A 92 12.667 19.723 -7.524 1.00 53.43 C ATOM 0 H ILE A 92 9.328 20.313 -3.808 1.00 35.33 H new ATOM 0 HA ILE A 92 10.618 22.150 -5.663 1.00 11.31 H new ATOM 0 HB ILE A 92 11.460 19.807 -5.313 1.00 13.32 H new ATOM 0 HG12 ILE A 92 10.620 19.671 -8.125 1.00 43.51 H new ATOM 0 HG13 ILE A 92 11.196 21.262 -7.670 1.00 43.51 H new ATOM 0 HG21 ILE A 92 10.195 17.943 -6.311 1.00 44.35 H new ATOM 0 HG22 ILE A 92 9.300 18.704 -4.974 1.00 44.35 H new ATOM 0 HG23 ILE A 92 8.845 19.049 -6.659 1.00 44.35 H new ATOM 0 HD11 ILE A 92 13.022 19.886 -8.542 1.00 53.43 H new ATOM 0 HD12 ILE A 92 13.297 20.275 -6.827 1.00 53.43 H new ATOM 0 HD13 ILE A 92 12.712 18.659 -7.290 1.00 53.43 H new ATOM 1344 N GLU A 93 7.555 21.069 -5.950 1.00 40.22 N ATOM 1345 CA GLU A 93 6.307 21.222 -6.689 1.00 45.14 C ATOM 1346 C GLU A 93 5.783 22.651 -6.581 1.00 73.15 C ATOM 1347 O GLU A 93 4.808 23.017 -7.238 1.00 31.55 O ATOM 1348 CB GLU A 93 5.256 20.240 -6.168 1.00 2.20 C ATOM 1349 CG GLU A 93 4.681 20.626 -4.815 1.00 60.25 C ATOM 1350 CD GLU A 93 3.415 21.452 -4.934 1.00 42.20 C ATOM 1351 OE1 GLU A 93 2.455 20.979 -5.576 1.00 34.40 O ATOM 1352 OE2 GLU A 93 3.386 22.573 -4.384 1.00 53.20 O ATOM 0 H GLU A 93 7.461 20.584 -5.058 1.00 40.22 H new ATOM 0 HA GLU A 93 6.507 21.005 -7.738 1.00 45.14 H new ATOM 0 HB2 GLU A 93 4.444 20.171 -6.892 1.00 2.20 H new ATOM 0 HB3 GLU A 93 5.702 19.248 -6.094 1.00 2.20 H new ATOM 0 HG2 GLU A 93 4.469 19.723 -4.243 1.00 60.25 H new ATOM 0 HG3 GLU A 93 5.427 21.190 -4.255 1.00 60.25 H new ATOM 1359 N ALA A 94 6.436 23.454 -5.748 1.00 65.33 N ATOM 1360 CA ALA A 94 6.038 24.842 -5.555 1.00 14.32 C ATOM 1361 C ALA A 94 6.574 25.729 -6.674 1.00 22.43 C ATOM 1362 O ALA A 94 5.835 26.522 -7.258 1.00 64.31 O ATOM 1363 CB ALA A 94 6.520 25.346 -4.202 1.00 54.35 C ATOM 0 H ALA A 94 7.244 23.166 -5.196 1.00 65.33 H new ATOM 0 HA ALA A 94 4.949 24.888 -5.581 1.00 14.32 H new ATOM 0 HB1 ALA A 94 6.216 26.384 -4.071 1.00 54.35 H new ATOM 0 HB2 ALA A 94 6.083 24.737 -3.410 1.00 54.35 H new ATOM 0 HB3 ALA A 94 7.607 25.278 -4.154 1.00 54.35 H new ATOM 1369 N ILE A 95 7.863 25.589 -6.966 1.00 52.30 N ATOM 1370 CA ILE A 95 8.497 26.378 -8.015 1.00 61.53 C ATOM 1371 C ILE A 95 8.074 25.894 -9.398 1.00 53.12 C ATOM 1372 O ILE A 95 8.177 26.627 -10.382 1.00 11.23 O ATOM 1373 CB ILE A 95 10.033 26.321 -7.912 1.00 33.41 C ATOM 1374 CG1 ILE A 95 10.523 24.879 -8.063 1.00 53.14 C ATOM 1375 CG2 ILE A 95 10.496 26.907 -6.587 1.00 24.12 C ATOM 1376 CD1 ILE A 95 10.838 24.495 -9.492 1.00 44.21 C ATOM 0 H ILE A 95 8.488 24.937 -6.491 1.00 52.30 H new ATOM 0 HA ILE A 95 8.169 27.408 -7.877 1.00 61.53 H new ATOM 0 HB ILE A 95 10.459 26.916 -8.720 1.00 33.41 H new ATOM 0 HG12 ILE A 95 11.416 24.741 -7.453 1.00 53.14 H new ATOM 0 HG13 ILE A 95 9.763 24.203 -7.673 1.00 53.14 H new ATOM 0 HG21 ILE A 95 11.583 26.860 -6.528 1.00 24.12 H new ATOM 0 HG22 ILE A 95 10.173 27.946 -6.516 1.00 24.12 H new ATOM 0 HG23 ILE A 95 10.063 26.336 -5.766 1.00 24.12 H new ATOM 0 HD11 ILE A 95 11.179 23.460 -9.524 1.00 44.21 H new ATOM 0 HD12 ILE A 95 9.942 24.600 -10.103 1.00 44.21 H new ATOM 0 HD13 ILE A 95 11.620 25.147 -9.880 1.00 44.21 H new ATOM 1388 N ARG A 96 7.595 24.656 -9.465 1.00 41.12 N ATOM 1389 CA ARG A 96 7.155 24.074 -10.728 1.00 11.54 C ATOM 1390 C ARG A 96 5.877 24.748 -11.220 1.00 62.32 C ATOM 1391 O ARG A 96 5.694 24.951 -12.420 1.00 71.25 O ATOM 1392 CB ARG A 96 6.923 22.571 -10.567 1.00 73.14 C ATOM 1393 CG ARG A 96 6.774 21.834 -11.888 1.00 71.52 C ATOM 1394 CD ARG A 96 5.899 20.598 -11.741 1.00 43.30 C ATOM 1395 NE ARG A 96 4.477 20.932 -11.735 1.00 25.14 N ATOM 1396 CZ ARG A 96 3.510 20.023 -11.690 1.00 54.22 C ATOM 1397 NH1 ARG A 96 3.809 18.732 -11.648 1.00 41.32 N ATOM 1398 NH2 ARG A 96 2.239 20.405 -11.687 1.00 51.23 N ATOM 0 H ARG A 96 7.502 24.037 -8.660 1.00 41.12 H new ATOM 0 HA ARG A 96 7.939 24.236 -11.468 1.00 11.54 H new ATOM 0 HB2 ARG A 96 7.757 22.140 -10.012 1.00 73.14 H new ATOM 0 HB3 ARG A 96 6.026 22.412 -9.969 1.00 73.14 H new ATOM 0 HG2 ARG A 96 6.340 22.502 -12.632 1.00 71.52 H new ATOM 0 HG3 ARG A 96 7.758 21.543 -12.257 1.00 71.52 H new ATOM 0 HD2 ARG A 96 6.106 19.908 -12.559 1.00 43.30 H new ATOM 0 HD3 ARG A 96 6.154 20.081 -10.816 1.00 43.30 H new ATOM 0 HE ARG A 96 4.213 21.917 -11.767 1.00 25.14 H new ATOM 0 HH11 ARG A 96 4.785 18.434 -11.650 1.00 41.32 H new ATOM 0 HH12 ARG A 96 3.063 18.037 -11.613 1.00 41.32 H new ATOM 0 HH21 ARG A 96 2.005 21.397 -11.719 1.00 51.23 H new ATOM 0 HH22 ARG A 96 1.497 19.706 -11.652 1.00 51.23 H new ATOM 1412 N ARG A 97 4.997 25.091 -10.285 1.00 61.23 N ATOM 1413 CA ARG A 97 3.736 25.739 -10.624 1.00 42.34 C ATOM 1414 C ARG A 97 3.854 27.256 -10.500 1.00 70.42 C ATOM 1415 O ARG A 97 3.153 28.001 -11.184 1.00 71.41 O ATOM 1416 CB ARG A 97 2.615 25.228 -9.717 1.00 42.24 C ATOM 1417 CG ARG A 97 2.133 23.831 -10.073 1.00 43.20 C ATOM 1418 CD ARG A 97 1.594 23.101 -8.853 1.00 71.33 C ATOM 1419 NE ARG A 97 0.475 23.811 -8.240 1.00 74.05 N ATOM 1420 CZ ARG A 97 -0.382 23.245 -7.398 1.00 31.12 C ATOM 1421 NH1 ARG A 97 -0.248 21.967 -7.069 1.00 41.42 N ATOM 1422 NH2 ARG A 97 -1.375 23.957 -6.881 1.00 55.25 N ATOM 0 H ARG A 97 5.134 24.931 -9.287 1.00 61.23 H new ATOM 0 HA ARG A 97 3.497 25.493 -11.659 1.00 42.34 H new ATOM 0 HB2 ARG A 97 2.965 25.230 -8.685 1.00 42.24 H new ATOM 0 HB3 ARG A 97 1.773 25.918 -9.770 1.00 42.24 H new ATOM 0 HG2 ARG A 97 1.354 23.896 -10.833 1.00 43.20 H new ATOM 0 HG3 ARG A 97 2.955 23.261 -10.506 1.00 43.20 H new ATOM 0 HD2 ARG A 97 1.274 22.100 -9.142 1.00 71.33 H new ATOM 0 HD3 ARG A 97 2.392 22.981 -8.120 1.00 71.33 H new ATOM 0 HE ARG A 97 0.344 24.796 -8.471 1.00 74.05 H new ATOM 0 HH11 ARG A 97 0.515 21.416 -7.463 1.00 41.42 H new ATOM 0 HH12 ARG A 97 -0.908 21.535 -6.422 1.00 41.42 H new ATOM 0 HH21 ARG A 97 -1.481 24.940 -7.130 1.00 55.25 H new ATOM 0 HH22 ARG A 97 -2.032 23.521 -6.234 1.00 55.25 H new ATOM 1436 N ALA A 98 4.745 27.705 -9.622 1.00 70.33 N ATOM 1437 CA ALA A 98 4.956 29.131 -9.410 1.00 13.34 C ATOM 1438 C ALA A 98 5.580 29.783 -10.638 1.00 42.35 C ATOM 1439 O ALA A 98 5.164 30.862 -11.060 1.00 14.33 O ATOM 1440 CB ALA A 98 5.832 29.359 -8.186 1.00 74.34 C ATOM 0 H ALA A 98 5.332 27.101 -9.046 1.00 70.33 H new ATOM 0 HA ALA A 98 3.984 29.595 -9.240 1.00 13.34 H new ATOM 0 HB1 ALA A 98 5.981 30.429 -8.040 1.00 74.34 H new ATOM 0 HB2 ALA A 98 5.346 28.937 -7.307 1.00 74.34 H new ATOM 0 HB3 ALA A 98 6.797 28.875 -8.334 1.00 74.34 H new ATOM 1446 N SER A 99 6.582 29.122 -11.209 1.00 21.21 N ATOM 1447 CA SER A 99 7.267 29.640 -12.387 1.00 62.33 C ATOM 1448 C SER A 99 6.385 29.517 -13.626 1.00 65.33 C ATOM 1449 O SER A 99 6.667 30.115 -14.664 1.00 23.42 O ATOM 1450 CB SER A 99 8.583 28.892 -12.608 1.00 25.21 C ATOM 1451 OG SER A 99 8.997 28.976 -13.961 1.00 23.24 O ATOM 0 H SER A 99 6.937 28.226 -10.875 1.00 21.21 H new ATOM 0 HA SER A 99 7.481 30.695 -12.218 1.00 62.33 H new ATOM 0 HB2 SER A 99 9.355 29.309 -11.962 1.00 25.21 H new ATOM 0 HB3 SER A 99 8.462 27.846 -12.326 1.00 25.21 H new ATOM 0 HG SER A 99 8.501 29.691 -14.411 1.00 23.24 H new ATOM 1457 N ASN A 100 5.316 28.736 -13.509 1.00 2.23 N ATOM 1458 CA ASN A 100 4.392 28.533 -14.619 1.00 3.22 C ATOM 1459 C ASN A 100 3.716 29.843 -15.010 1.00 53.40 C ATOM 1460 O ASN A 100 3.356 30.046 -16.169 1.00 15.53 O ATOM 1461 CB ASN A 100 3.335 27.492 -14.246 1.00 22.12 C ATOM 1462 CG ASN A 100 2.735 26.816 -15.463 1.00 71.32 C ATOM 1463 OD1 ASN A 100 2.295 27.480 -16.402 1.00 35.52 O ATOM 1464 ND2 ASN A 100 2.715 25.488 -15.453 1.00 34.15 N ATOM 0 H ASN A 100 5.068 28.233 -12.657 1.00 2.23 H new ATOM 0 HA ASN A 100 4.963 28.170 -15.473 1.00 3.22 H new ATOM 0 HB2 ASN A 100 3.784 26.738 -13.599 1.00 22.12 H new ATOM 0 HB3 ASN A 100 2.542 27.972 -13.673 1.00 22.12 H new ATOM 0 HD21 ASN A 100 2.324 24.978 -16.245 1.00 34.15 H new ATOM 0 HD22 ASN A 100 3.091 24.978 -14.653 1.00 34.15 H new