USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 580 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 Set 1.1: A 82 GLN : amide:sc= 0.523 K(o=2.1,f=-1.3) USER MOD Set 1.2: A 85 GLN : amide:sc= 1.55 K(o=2.1,f=-0.094) USER MOD Set 2.1: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 72 MET CE :methyl 162:sc= -0.107 (180deg=-0.537) USER MOD Set 3.1: A 61 SER OG : rot 50:sc= 0.746 USER MOD Set 3.2: A 64 LYS NZ :NH3+ -176:sc= 0.864 (180deg=0) USER MOD Set 4.1: A 36 GLN : amide:sc= 0 K(o=0.44,f=-0.23) USER MOD Set 4.2: A 43 THR OG1 : rot -37:sc= 0.443 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0.279 X(o=0.28,f=0) USER MOD Single : A 54 ASN : amide:sc= 0.394 X(o=0.39,f=-0.013) USER MOD Single : A 56 GLN : amide:sc= 0.694 K(o=0.69,f=0) USER MOD Single : A 62 MET CE :methyl -160:sc= -0.192 (180deg=-0.819) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= 0.951 (180deg=0.773) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.0101 F(o=-0.98,f=-0.01) USER MOD Single : A 68 THR OG1 : rot 108:sc= 0.958 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0145 USER MOD Single : A 77 GLN : amide:sc= -0.695 X(o=-0.7,f=-0.75) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 GLN :FLIP amide:sc= -1.57 F(o=-3.1!,f=-1.6) USER MOD Single : A 87 ASN : amide:sc= 0.264 K(o=0.26,f=-3.3!) USER MOD Single : A 89 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 90 ASN : amide:sc= 0.285 K(o=0.29,f=-1.4!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 279 N VAL A 21 -11.250 5.546 3.263 1.00 72.12 N ATOM 280 CA VAL A 21 -11.186 4.110 3.535 1.00 62.35 C ATOM 281 C VAL A 21 -9.901 3.524 2.941 1.00 73.51 C ATOM 282 O VAL A 21 -9.556 3.794 1.788 1.00 63.15 O ATOM 283 CB VAL A 21 -12.492 3.433 3.066 1.00 75.53 C ATOM 284 CG1 VAL A 21 -12.757 3.536 1.558 1.00 41.11 C ATOM 285 CG2 VAL A 21 -12.571 1.969 3.513 1.00 12.40 C ATOM 0 HA VAL A 21 -11.124 3.914 4.605 1.00 62.35 H new ATOM 0 HB VAL A 21 -13.280 4.003 3.557 1.00 75.53 H new ATOM 0 HG11 VAL A 21 -13.694 3.034 1.318 1.00 41.11 H new ATOM 0 HG12 VAL A 21 -12.824 4.585 1.271 1.00 41.11 H new ATOM 0 HG13 VAL A 21 -11.941 3.062 1.012 1.00 41.11 H new ATOM 0 HG21 VAL A 21 -13.505 1.531 3.162 1.00 12.40 H new ATOM 0 HG22 VAL A 21 -11.731 1.415 3.094 1.00 12.40 H new ATOM 0 HG23 VAL A 21 -12.533 1.918 4.601 1.00 12.40 H new ATOM 295 N LEU A 22 -9.171 2.748 3.749 1.00 14.22 N ATOM 296 CA LEU A 22 -7.912 2.133 3.340 1.00 41.22 C ATOM 297 C LEU A 22 -8.176 1.019 2.318 1.00 43.01 C ATOM 298 O LEU A 22 -9.198 0.340 2.440 1.00 24.33 O ATOM 299 CB LEU A 22 -7.198 1.498 4.549 1.00 14.20 C ATOM 300 CG LEU A 22 -6.703 2.475 5.628 1.00 1.13 C ATOM 301 CD1 LEU A 22 -6.237 1.693 6.864 1.00 4.41 C ATOM 302 CD2 LEU A 22 -5.562 3.346 5.095 1.00 31.33 C ATOM 0 H LEU A 22 -9.441 2.530 4.708 1.00 14.22 H new ATOM 0 HA LEU A 22 -7.289 2.915 2.905 1.00 41.22 H new ATOM 0 HB2 LEU A 22 -7.879 0.787 5.016 1.00 14.20 H new ATOM 0 HB3 LEU A 22 -6.344 0.928 4.183 1.00 14.20 H new ATOM 0 HG LEU A 22 -7.529 3.130 5.906 1.00 1.13 H new ATOM 0 HD11 LEU A 22 -5.887 2.390 7.625 1.00 4.41 H new ATOM 0 HD12 LEU A 22 -7.068 1.110 7.260 1.00 4.41 H new ATOM 0 HD13 LEU A 22 -5.424 1.023 6.585 1.00 4.41 H new ATOM 0 HD21 LEU A 22 -5.229 4.029 5.877 1.00 31.33 H new ATOM 0 HD22 LEU A 22 -4.731 2.710 4.791 1.00 31.33 H new ATOM 0 HD23 LEU A 22 -5.913 3.920 4.237 1.00 31.33 H new ATOM 313 N PRO A 23 -7.235 0.740 1.400 1.00 21.44 N ATOM 314 CA PRO A 23 -7.271 -0.464 0.574 1.00 14.00 C ATOM 315 C PRO A 23 -7.207 -1.756 1.412 1.00 23.54 C ATOM 316 O PRO A 23 -6.827 -1.726 2.589 1.00 75.15 O ATOM 317 CB PRO A 23 -6.091 -0.341 -0.397 1.00 73.15 C ATOM 318 CG PRO A 23 -5.186 0.732 0.197 1.00 73.21 C ATOM 319 CD PRO A 23 -6.099 1.583 1.064 1.00 52.13 C ATOM 0 HA PRO A 23 -8.216 -0.539 0.036 1.00 14.00 H new ATOM 0 HB2 PRO A 23 -5.563 -1.290 -0.495 1.00 73.15 H new ATOM 0 HB3 PRO A 23 -6.431 -0.060 -1.394 1.00 73.15 H new ATOM 0 HG2 PRO A 23 -4.383 0.289 0.786 1.00 73.21 H new ATOM 0 HG3 PRO A 23 -4.716 1.329 -0.585 1.00 73.21 H new ATOM 0 HD2 PRO A 23 -5.582 1.917 1.963 1.00 52.13 H new ATOM 0 HD3 PRO A 23 -6.421 2.477 0.530 1.00 52.13 H new ATOM 324 N PRO A 24 -7.559 -2.913 0.821 1.00 34.20 N ATOM 325 CA PRO A 24 -7.553 -4.195 1.513 1.00 41.02 C ATOM 326 C PRO A 24 -6.141 -4.773 1.652 1.00 22.22 C ATOM 327 O PRO A 24 -5.165 -4.276 1.082 1.00 32.10 O ATOM 328 CB PRO A 24 -8.448 -5.105 0.667 1.00 15.04 C ATOM 329 CG PRO A 24 -8.204 -4.582 -0.745 1.00 3.34 C ATOM 330 CD PRO A 24 -8.099 -3.074 -0.523 1.00 40.21 C ATOM 0 HA PRO A 24 -7.917 -4.095 2.536 1.00 41.02 H new ATOM 0 HB2 PRO A 24 -8.170 -6.154 0.765 1.00 15.04 H new ATOM 0 HB3 PRO A 24 -9.496 -5.025 0.954 1.00 15.04 H new ATOM 0 HG2 PRO A 24 -7.292 -4.993 -1.179 1.00 3.34 H new ATOM 0 HG3 PRO A 24 -9.021 -4.837 -1.420 1.00 3.34 H new ATOM 0 HD2 PRO A 24 -7.447 -2.613 -1.265 1.00 40.21 H new ATOM 0 HD3 PRO A 24 -9.074 -2.595 -0.614 1.00 40.21 H new ATOM 335 N THR A 25 -6.049 -5.900 2.346 1.00 23.13 N ATOM 336 CA THR A 25 -4.826 -6.608 2.698 1.00 41.21 C ATOM 337 C THR A 25 -5.034 -8.102 2.412 1.00 62.43 C ATOM 338 O THR A 25 -6.180 -8.530 2.247 1.00 75.21 O ATOM 339 CB THR A 25 -4.513 -6.344 4.190 1.00 23.43 C ATOM 340 OG1 THR A 25 -5.689 -6.287 4.981 1.00 22.30 O ATOM 341 CG2 THR A 25 -3.803 -5.006 4.389 1.00 32.30 C ATOM 0 H THR A 25 -6.880 -6.374 2.700 1.00 23.13 H new ATOM 0 HA THR A 25 -3.977 -6.261 2.109 1.00 41.21 H new ATOM 0 HB THR A 25 -3.880 -7.176 4.499 1.00 23.43 H new ATOM 0 HG1 THR A 25 -5.447 -6.121 5.916 1.00 22.30 H new ATOM 0 HG21 THR A 25 -3.600 -4.856 5.449 1.00 32.30 H new ATOM 0 HG22 THR A 25 -2.864 -5.007 3.836 1.00 32.30 H new ATOM 0 HG23 THR A 25 -4.438 -4.199 4.024 1.00 32.30 H new ATOM 349 N PRO A 26 -3.963 -8.914 2.344 1.00 55.14 N ATOM 350 CA PRO A 26 -4.106 -10.360 2.249 1.00 14.30 C ATOM 351 C PRO A 26 -4.681 -10.899 3.559 1.00 71.11 C ATOM 352 O PRO A 26 -4.428 -10.351 4.638 1.00 23.20 O ATOM 353 CB PRO A 26 -2.700 -10.893 1.957 1.00 15.03 C ATOM 354 CG PRO A 26 -1.738 -9.791 2.402 1.00 20.51 C ATOM 355 CD PRO A 26 -2.568 -8.515 2.463 1.00 52.45 C ATOM 0 HA PRO A 26 -4.793 -10.674 1.463 1.00 14.30 H new ATOM 0 HB2 PRO A 26 -2.512 -11.819 2.500 1.00 15.03 H new ATOM 0 HB3 PRO A 26 -2.578 -11.115 0.897 1.00 15.03 H new ATOM 0 HG2 PRO A 26 -1.303 -10.021 3.374 1.00 20.51 H new ATOM 0 HG3 PRO A 26 -0.911 -9.686 1.699 1.00 20.51 H new ATOM 0 HD2 PRO A 26 -2.396 -7.986 3.401 1.00 52.45 H new ATOM 0 HD3 PRO A 26 -2.291 -7.835 1.658 1.00 52.45 H new ATOM 360 N LYS A 27 -5.393 -12.028 3.505 1.00 11.11 N ATOM 361 CA LYS A 27 -6.058 -12.609 4.679 1.00 21.20 C ATOM 362 C LYS A 27 -5.109 -13.229 5.706 1.00 21.41 C ATOM 363 O LYS A 27 -5.542 -13.981 6.579 1.00 24.22 O ATOM 364 CB LYS A 27 -7.169 -13.580 4.248 1.00 74.14 C ATOM 365 CG LYS A 27 -6.675 -14.928 3.699 1.00 4.11 C ATOM 366 CD LYS A 27 -7.891 -15.753 3.252 1.00 31.34 C ATOM 367 CE LYS A 27 -7.647 -17.261 3.112 1.00 42.35 C ATOM 368 NZ LYS A 27 -7.591 -17.948 4.416 1.00 20.34 N ATOM 0 H LYS A 27 -5.526 -12.566 2.649 1.00 11.11 H new ATOM 0 HA LYS A 27 -6.514 -11.774 5.210 1.00 21.20 H new ATOM 0 HB2 LYS A 27 -7.818 -13.769 5.103 1.00 74.14 H new ATOM 0 HB3 LYS A 27 -7.779 -13.096 3.486 1.00 74.14 H new ATOM 0 HG2 LYS A 27 -5.997 -14.769 2.860 1.00 4.11 H new ATOM 0 HG3 LYS A 27 -6.115 -15.465 4.464 1.00 4.11 H new ATOM 0 HD2 LYS A 27 -8.698 -15.598 3.969 1.00 31.34 H new ATOM 0 HD3 LYS A 27 -8.238 -15.368 2.293 1.00 31.34 H new ATOM 0 HE2 LYS A 27 -8.441 -17.700 2.508 1.00 42.35 H new ATOM 0 HE3 LYS A 27 -6.712 -17.426 2.578 1.00 42.35 H new ATOM 0 HZ1 LYS A 27 -7.424 -18.964 4.266 1.00 20.34 H new ATOM 0 HZ2 LYS A 27 -6.817 -17.550 4.985 1.00 20.34 H new ATOM 0 HZ3 LYS A 27 -8.492 -17.815 4.917 1.00 20.34 H new ATOM 378 N ASN A 28 -3.816 -12.955 5.590 1.00 60.14 N ATOM 379 CA ASN A 28 -2.763 -13.472 6.411 1.00 22.52 C ATOM 380 C ASN A 28 -2.676 -12.557 7.633 1.00 62.43 C ATOM 381 O ASN A 28 -3.001 -12.982 8.737 1.00 24.40 O ATOM 382 CB ASN A 28 -1.485 -13.480 5.560 1.00 60.15 C ATOM 383 CG ASN A 28 -1.320 -14.693 4.665 1.00 43.15 C ATOM 384 OD1 ASN A 28 -0.403 -15.488 4.847 1.00 13.20 O ATOM 385 ND2 ASN A 28 -2.134 -14.869 3.647 1.00 22.20 N ATOM 0 H ASN A 28 -3.467 -12.323 4.869 1.00 60.14 H new ATOM 0 HA ASN A 28 -2.927 -14.491 6.762 1.00 22.52 H new ATOM 0 HB2 ASN A 28 -1.474 -12.584 4.939 1.00 60.15 H new ATOM 0 HB3 ASN A 28 -0.623 -13.417 6.225 1.00 60.15 H new ATOM 0 HD21 ASN A 28 -2.000 -15.660 3.018 1.00 22.20 H new ATOM 0 HD22 ASN A 28 -2.899 -14.214 3.487 1.00 22.20 H new ATOM 391 N ILE A 29 -2.305 -11.281 7.460 1.00 54.14 N ATOM 392 CA ILE A 29 -1.839 -10.429 8.561 1.00 1.32 C ATOM 393 C ILE A 29 -2.502 -9.034 8.540 1.00 53.23 C ATOM 394 O ILE A 29 -2.970 -8.597 7.482 1.00 73.54 O ATOM 395 CB ILE A 29 -0.293 -10.334 8.532 1.00 61.33 C ATOM 396 CG1 ILE A 29 0.289 -9.418 7.440 1.00 71.33 C ATOM 397 CG2 ILE A 29 0.373 -11.708 8.448 1.00 74.22 C ATOM 398 CD1 ILE A 29 0.006 -9.808 5.990 1.00 52.31 C ATOM 0 H ILE A 29 -2.320 -10.812 6.554 1.00 54.14 H new ATOM 0 HA ILE A 29 -2.141 -10.891 9.501 1.00 1.32 H new ATOM 0 HB ILE A 29 -0.057 -9.866 9.488 1.00 61.33 H new ATOM 0 HG12 ILE A 29 -0.095 -8.411 7.602 1.00 71.33 H new ATOM 0 HG13 ILE A 29 1.370 -9.373 7.575 1.00 71.33 H new ATOM 0 HG21 ILE A 29 1.456 -11.587 8.430 1.00 74.22 H new ATOM 0 HG22 ILE A 29 0.089 -12.304 9.315 1.00 74.22 H new ATOM 0 HG23 ILE A 29 0.050 -12.214 7.538 1.00 74.22 H new ATOM 0 HD11 ILE A 29 0.470 -9.083 5.321 1.00 52.31 H new ATOM 0 HD12 ILE A 29 0.416 -10.798 5.793 1.00 52.31 H new ATOM 0 HD13 ILE A 29 -1.071 -9.821 5.820 1.00 52.31 H new ATOM 409 N PRO A 30 -2.531 -8.295 9.667 1.00 24.14 N ATOM 410 CA PRO A 30 -3.099 -6.948 9.729 1.00 35.41 C ATOM 411 C PRO A 30 -2.271 -5.949 8.906 1.00 32.41 C ATOM 412 O PRO A 30 -1.106 -6.209 8.602 1.00 0.32 O ATOM 413 CB PRO A 30 -3.162 -6.595 11.218 1.00 33.51 C ATOM 414 CG PRO A 30 -2.091 -7.467 11.861 1.00 31.21 C ATOM 415 CD PRO A 30 -2.062 -8.712 10.982 1.00 42.24 C ATOM 0 HA PRO A 30 -4.094 -6.903 9.286 1.00 35.41 H new ATOM 0 HB2 PRO A 30 -2.964 -5.536 11.384 1.00 33.51 H new ATOM 0 HB3 PRO A 30 -4.147 -6.804 11.634 1.00 33.51 H new ATOM 0 HG2 PRO A 30 -1.123 -6.966 11.877 1.00 31.21 H new ATOM 0 HG3 PRO A 30 -2.341 -7.712 12.893 1.00 31.21 H new ATOM 0 HD2 PRO A 30 -1.054 -9.123 10.923 1.00 42.24 H new ATOM 0 HD3 PRO A 30 -2.701 -9.493 11.393 1.00 42.24 H new ATOM 420 N LEU A 31 -2.833 -4.775 8.590 1.00 75.33 N ATOM 421 CA LEU A 31 -2.115 -3.689 7.913 1.00 3.21 C ATOM 422 C LEU A 31 -0.759 -3.392 8.577 1.00 40.02 C ATOM 423 O LEU A 31 0.253 -3.478 7.886 1.00 51.01 O ATOM 424 CB LEU A 31 -3.020 -2.455 7.772 1.00 13.33 C ATOM 425 CG LEU A 31 -2.425 -1.239 7.027 1.00 20.34 C ATOM 426 CD1 LEU A 31 -1.670 -0.287 7.957 1.00 32.22 C ATOM 427 CD2 LEU A 31 -1.534 -1.600 5.829 1.00 64.21 C ATOM 0 H LEU A 31 -3.806 -4.551 8.799 1.00 75.33 H new ATOM 0 HA LEU A 31 -1.866 -4.012 6.902 1.00 3.21 H new ATOM 0 HB2 LEU A 31 -3.931 -2.758 7.255 1.00 13.33 H new ATOM 0 HB3 LEU A 31 -3.313 -2.132 8.771 1.00 13.33 H new ATOM 0 HG LEU A 31 -3.303 -0.729 6.631 1.00 20.34 H new ATOM 0 HD11 LEU A 31 -1.274 0.548 7.379 1.00 32.22 H new ATOM 0 HD12 LEU A 31 -2.350 0.090 8.721 1.00 32.22 H new ATOM 0 HD13 LEU A 31 -0.848 -0.820 8.434 1.00 32.22 H new ATOM 0 HD21 LEU A 31 -1.160 -0.687 5.366 1.00 64.21 H new ATOM 0 HD22 LEU A 31 -0.694 -2.205 6.170 1.00 64.21 H new ATOM 0 HD23 LEU A 31 -2.116 -2.165 5.100 1.00 64.21 H new ATOM 438 N PRO A 32 -0.662 -3.126 9.893 1.00 71.23 N ATOM 439 CA PRO A 32 0.622 -2.902 10.560 1.00 12.02 C ATOM 440 C PRO A 32 1.591 -4.103 10.551 1.00 0.32 C ATOM 441 O PRO A 32 2.707 -3.980 11.057 1.00 60.21 O ATOM 442 CB PRO A 32 0.274 -2.446 11.983 1.00 55.21 C ATOM 443 CG PRO A 32 -1.164 -2.902 12.205 1.00 72.25 C ATOM 444 CD PRO A 32 -1.759 -2.839 10.805 1.00 24.12 C ATOM 0 HA PRO A 32 1.186 -2.150 10.008 1.00 12.02 H new ATOM 0 HB2 PRO A 32 0.947 -2.892 12.716 1.00 55.21 H new ATOM 0 HB3 PRO A 32 0.365 -1.364 12.084 1.00 55.21 H new ATOM 0 HG2 PRO A 32 -1.209 -3.909 12.619 1.00 72.25 H new ATOM 0 HG3 PRO A 32 -1.693 -2.249 12.899 1.00 72.25 H new ATOM 0 HD2 PRO A 32 -2.563 -3.565 10.689 1.00 24.12 H new ATOM 0 HD3 PRO A 32 -2.186 -1.856 10.606 1.00 24.12 H new ATOM 449 N ALA A 33 1.221 -5.260 9.997 1.00 23.33 N ATOM 450 CA ALA A 33 2.122 -6.381 9.757 1.00 35.44 C ATOM 451 C ALA A 33 2.484 -6.477 8.273 1.00 4.41 C ATOM 452 O ALA A 33 3.645 -6.746 7.962 1.00 73.52 O ATOM 453 CB ALA A 33 1.463 -7.659 10.270 1.00 44.01 C ATOM 0 H ALA A 33 0.264 -5.444 9.697 1.00 23.33 H new ATOM 0 HA ALA A 33 3.057 -6.230 10.296 1.00 35.44 H new ATOM 0 HB1 ALA A 33 2.127 -8.506 10.096 1.00 44.01 H new ATOM 0 HB2 ALA A 33 1.268 -7.564 11.338 1.00 44.01 H new ATOM 0 HB3 ALA A 33 0.523 -7.821 9.742 1.00 44.01 H new ATOM 459 N PHE A 34 1.535 -6.196 7.367 1.00 54.01 N ATOM 460 CA PHE A 34 1.664 -6.386 5.917 1.00 0.13 C ATOM 461 C PHE A 34 2.810 -5.589 5.270 1.00 20.24 C ATOM 462 O PHE A 34 3.128 -5.812 4.105 1.00 21.22 O ATOM 463 CB PHE A 34 0.314 -6.121 5.209 1.00 43.22 C ATOM 464 CG PHE A 34 0.299 -6.348 3.694 1.00 73.44 C ATOM 465 CD1 PHE A 34 0.908 -7.485 3.116 1.00 35.50 C ATOM 466 CD2 PHE A 34 -0.255 -5.374 2.836 1.00 75.14 C ATOM 467 CE1 PHE A 34 1.005 -7.606 1.719 1.00 35.20 C ATOM 468 CE2 PHE A 34 -0.172 -5.503 1.441 1.00 42.25 C ATOM 469 CZ PHE A 34 0.477 -6.609 0.881 1.00 62.41 C ATOM 0 H PHE A 34 0.626 -5.817 7.634 1.00 54.01 H new ATOM 0 HA PHE A 34 1.939 -7.431 5.777 1.00 0.13 H new ATOM 0 HB2 PHE A 34 -0.443 -6.762 5.661 1.00 43.22 H new ATOM 0 HB3 PHE A 34 0.018 -5.090 5.406 1.00 43.22 H new ATOM 0 HD1 PHE A 34 1.301 -8.265 3.751 1.00 35.50 H new ATOM 0 HD2 PHE A 34 -0.752 -4.514 3.261 1.00 75.14 H new ATOM 0 HE1 PHE A 34 1.488 -8.470 1.287 1.00 35.20 H new ATOM 0 HE2 PHE A 34 -0.608 -4.750 0.801 1.00 42.25 H new ATOM 0 HZ PHE A 34 0.572 -6.696 -0.191 1.00 62.41 H new ATOM 478 N GLY A 35 3.470 -4.684 5.988 1.00 20.54 N ATOM 479 CA GLY A 35 4.602 -3.917 5.498 1.00 34.32 C ATOM 480 C GLY A 35 5.807 -4.095 6.399 1.00 12.03 C ATOM 481 O GLY A 35 6.870 -4.509 5.937 1.00 53.25 O ATOM 0 H GLY A 35 3.222 -4.461 6.952 1.00 20.54 H new ATOM 0 HA2 GLY A 35 4.850 -4.234 4.485 1.00 34.32 H new ATOM 0 HA3 GLY A 35 4.335 -2.861 5.445 1.00 34.32 H new ATOM 485 N GLN A 36 5.642 -3.805 7.692 1.00 60.24 N ATOM 486 CA GLN A 36 6.750 -3.728 8.644 1.00 42.13 C ATOM 487 C GLN A 36 7.488 -5.064 8.833 1.00 20.40 C ATOM 488 O GLN A 36 8.614 -5.058 9.335 1.00 42.15 O ATOM 489 CB GLN A 36 6.269 -3.197 10.008 1.00 23.13 C ATOM 490 CG GLN A 36 5.351 -1.966 9.978 1.00 54.02 C ATOM 491 CD GLN A 36 4.788 -1.684 11.371 1.00 71.43 C ATOM 492 OE1 GLN A 36 5.381 -2.056 12.385 1.00 1.41 O ATOM 493 NE2 GLN A 36 3.641 -1.038 11.468 1.00 14.04 N ATOM 0 H GLN A 36 4.730 -3.616 8.109 1.00 60.24 H new ATOM 0 HA GLN A 36 7.465 -3.029 8.211 1.00 42.13 H new ATOM 0 HB2 GLN A 36 5.744 -4.002 10.522 1.00 23.13 H new ATOM 0 HB3 GLN A 36 7.146 -2.954 10.608 1.00 23.13 H new ATOM 0 HG2 GLN A 36 5.907 -1.099 9.622 1.00 54.02 H new ATOM 0 HG3 GLN A 36 4.534 -2.131 9.276 1.00 54.02 H new ATOM 0 HE21 GLN A 36 3.155 -0.733 10.625 1.00 14.04 H new ATOM 0 HE22 GLN A 36 3.241 -0.844 12.386 1.00 14.04 H new ATOM 500 N ARG A 37 6.883 -6.197 8.450 1.00 73.11 N ATOM 501 CA ARG A 37 7.464 -7.539 8.580 1.00 34.53 C ATOM 502 C ARG A 37 7.347 -8.335 7.279 1.00 64.33 C ATOM 503 O ARG A 37 7.395 -9.560 7.302 1.00 61.53 O ATOM 504 CB ARG A 37 6.812 -8.278 9.762 1.00 0.24 C ATOM 505 CG ARG A 37 7.037 -7.519 11.075 1.00 1.04 C ATOM 506 CD ARG A 37 6.567 -8.324 12.287 1.00 72.21 C ATOM 507 NE ARG A 37 7.684 -8.832 13.092 1.00 75.42 N ATOM 508 CZ ARG A 37 7.654 -9.169 14.384 1.00 14.42 C ATOM 509 NH1 ARG A 37 6.588 -8.916 15.138 1.00 11.32 N ATOM 510 NH2 ARG A 37 8.707 -9.770 14.919 1.00 4.01 N ATOM 0 H ARG A 37 5.953 -6.205 8.031 1.00 73.11 H new ATOM 0 HA ARG A 37 8.530 -7.436 8.783 1.00 34.53 H new ATOM 0 HB2 ARG A 37 5.743 -8.390 9.581 1.00 0.24 H new ATOM 0 HB3 ARG A 37 7.228 -9.282 9.842 1.00 0.24 H new ATOM 0 HG2 ARG A 37 8.096 -7.286 11.183 1.00 1.04 H new ATOM 0 HG3 ARG A 37 6.504 -6.569 11.041 1.00 1.04 H new ATOM 0 HD2 ARG A 37 5.930 -7.697 12.911 1.00 72.21 H new ATOM 0 HD3 ARG A 37 5.957 -9.161 11.948 1.00 72.21 H new ATOM 0 HE ARG A 37 8.579 -8.939 12.614 1.00 75.42 H new ATOM 0 HH11 ARG A 37 5.773 -8.456 14.731 1.00 11.32 H new ATOM 0 HH12 ARG A 37 6.585 -9.182 16.123 1.00 11.32 H new ATOM 0 HH21 ARG A 37 9.526 -9.969 14.345 1.00 4.01 H new ATOM 0 HH22 ARG A 37 8.698 -10.033 15.904 1.00 4.01 H new ATOM 521 N ILE A 38 7.102 -7.651 6.160 1.00 23.32 N ATOM 522 CA ILE A 38 6.786 -8.261 4.871 1.00 75.52 C ATOM 523 C ILE A 38 7.542 -7.495 3.787 1.00 14.31 C ATOM 524 O ILE A 38 8.441 -8.051 3.164 1.00 64.51 O ATOM 525 CB ILE A 38 5.252 -8.261 4.654 1.00 24.53 C ATOM 526 CG1 ILE A 38 4.460 -9.088 5.692 1.00 2.02 C ATOM 527 CG2 ILE A 38 4.838 -8.667 3.227 1.00 52.21 C ATOM 528 CD1 ILE A 38 4.668 -10.600 5.633 1.00 24.14 C ATOM 0 H ILE A 38 7.119 -6.632 6.126 1.00 23.32 H new ATOM 0 HA ILE A 38 7.102 -9.303 4.834 1.00 75.52 H new ATOM 0 HB ILE A 38 4.979 -7.217 4.804 1.00 24.53 H new ATOM 0 HG12 ILE A 38 4.732 -8.741 6.689 1.00 2.02 H new ATOM 0 HG13 ILE A 38 3.398 -8.881 5.561 1.00 2.02 H new ATOM 0 HG21 ILE A 38 3.751 -8.646 3.144 1.00 52.21 H new ATOM 0 HG22 ILE A 38 5.270 -7.969 2.510 1.00 52.21 H new ATOM 0 HG23 ILE A 38 5.199 -9.674 3.016 1.00 52.21 H new ATOM 0 HD11 ILE A 38 4.066 -11.080 6.404 1.00 24.14 H new ATOM 0 HD12 ILE A 38 4.366 -10.971 4.653 1.00 24.14 H new ATOM 0 HD13 ILE A 38 5.721 -10.829 5.799 1.00 24.14 H new ATOM 539 N ILE A 39 7.182 -6.228 3.563 1.00 34.53 N ATOM 540 CA ILE A 39 7.770 -5.373 2.537 1.00 53.11 C ATOM 541 C ILE A 39 9.221 -5.039 2.909 1.00 75.22 C ATOM 542 O ILE A 39 10.066 -4.922 2.022 1.00 63.25 O ATOM 543 CB ILE A 39 6.901 -4.096 2.380 1.00 20.52 C ATOM 544 CG1 ILE A 39 5.443 -4.396 1.958 1.00 31.13 C ATOM 545 CG2 ILE A 39 7.515 -3.093 1.400 1.00 22.22 C ATOM 546 CD1 ILE A 39 5.225 -4.980 0.565 1.00 40.33 C ATOM 0 H ILE A 39 6.456 -5.760 4.105 1.00 34.53 H new ATOM 0 HA ILE A 39 7.790 -5.889 1.577 1.00 53.11 H new ATOM 0 HB ILE A 39 6.878 -3.653 3.376 1.00 20.52 H new ATOM 0 HG12 ILE A 39 5.017 -5.088 2.685 1.00 31.13 H new ATOM 0 HG13 ILE A 39 4.874 -3.469 2.028 1.00 31.13 H new ATOM 0 HG21 ILE A 39 6.871 -2.217 1.324 1.00 22.22 H new ATOM 0 HG22 ILE A 39 8.499 -2.790 1.758 1.00 22.22 H new ATOM 0 HG23 ILE A 39 7.613 -3.557 0.419 1.00 22.22 H new ATOM 0 HD11 ILE A 39 4.160 -5.141 0.401 1.00 40.33 H new ATOM 0 HD12 ILE A 39 5.607 -4.287 -0.184 1.00 40.33 H new ATOM 0 HD13 ILE A 39 5.752 -5.930 0.482 1.00 40.33 H new ATOM 557 N GLY A 40 9.508 -4.863 4.203 1.00 40.32 N ATOM 558 CA GLY A 40 10.816 -4.427 4.681 1.00 42.12 C ATOM 559 C GLY A 40 10.850 -2.950 5.063 1.00 13.13 C ATOM 560 O GLY A 40 11.863 -2.481 5.567 1.00 55.03 O ATOM 0 H GLY A 40 8.832 -5.021 4.950 1.00 40.32 H new ATOM 0 HA2 GLY A 40 11.099 -5.027 5.546 1.00 42.12 H new ATOM 0 HA3 GLY A 40 11.560 -4.613 3.907 1.00 42.12 H new ATOM 564 N TRP A 41 9.751 -2.208 4.882 1.00 43.10 N ATOM 565 CA TRP A 41 9.737 -0.745 4.892 1.00 11.42 C ATOM 566 C TRP A 41 9.872 -0.095 6.281 1.00 23.45 C ATOM 567 O TRP A 41 9.440 1.046 6.472 1.00 1.34 O ATOM 568 CB TRP A 41 8.480 -0.269 4.152 1.00 62.50 C ATOM 569 CG TRP A 41 7.140 -0.381 4.810 1.00 35.54 C ATOM 570 CD1 TRP A 41 6.874 -0.797 6.071 1.00 53.24 C ATOM 571 CD2 TRP A 41 5.848 -0.069 4.211 1.00 54.34 C ATOM 572 NE1 TRP A 41 5.523 -0.713 6.305 1.00 35.32 N ATOM 573 CE2 TRP A 41 4.836 -0.277 5.191 1.00 24.11 C ATOM 574 CE3 TRP A 41 5.429 0.366 2.934 1.00 44.24 C ATOM 575 CZ2 TRP A 41 3.479 -0.077 4.913 1.00 14.42 C ATOM 576 CZ3 TRP A 41 4.066 0.532 2.632 1.00 54.04 C ATOM 577 CH2 TRP A 41 3.092 0.311 3.620 1.00 61.11 C ATOM 0 H TRP A 41 8.831 -2.618 4.722 1.00 43.10 H new ATOM 0 HA TRP A 41 10.638 -0.411 4.377 1.00 11.42 H new ATOM 0 HB2 TRP A 41 8.630 0.780 3.898 1.00 62.50 H new ATOM 0 HB3 TRP A 41 8.428 -0.820 3.213 1.00 62.50 H new ATOM 0 HD1 TRP A 41 7.610 -1.141 6.782 1.00 53.24 H new ATOM 0 HE1 TRP A 41 5.081 -0.945 7.195 1.00 35.32 H new ATOM 0 HE3 TRP A 41 6.169 0.575 2.176 1.00 44.24 H new ATOM 0 HZ2 TRP A 41 2.737 -0.220 5.685 1.00 14.42 H new ATOM 0 HZ3 TRP A 41 3.767 0.830 1.638 1.00 54.04 H new ATOM 0 HH2 TRP A 41 2.046 0.439 3.385 1.00 61.11 H new ATOM 587 N GLY A 42 10.370 -0.825 7.280 1.00 34.21 N ATOM 588 CA GLY A 42 10.561 -0.371 8.644 1.00 4.21 C ATOM 589 C GLY A 42 9.194 -0.118 9.239 1.00 62.20 C ATOM 590 O GLY A 42 8.491 -1.080 9.541 1.00 62.22 O ATOM 0 H GLY A 42 10.662 -1.793 7.146 1.00 34.21 H new ATOM 0 HA2 GLY A 42 11.098 -1.120 9.225 1.00 4.21 H new ATOM 0 HA3 GLY A 42 11.161 0.539 8.664 1.00 4.21 H new ATOM 594 N THR A 43 8.774 1.142 9.359 1.00 20.32 N ATOM 595 CA THR A 43 7.355 1.450 9.587 1.00 24.42 C ATOM 596 C THR A 43 6.971 2.881 9.224 1.00 0.21 C ATOM 597 O THR A 43 5.850 3.320 9.482 1.00 3.21 O ATOM 598 CB THR A 43 7.027 1.118 11.069 1.00 31.51 C ATOM 599 OG1 THR A 43 5.686 1.334 11.460 1.00 75.24 O ATOM 600 CG2 THR A 43 7.937 1.862 12.043 1.00 13.01 C ATOM 0 H THR A 43 9.384 1.958 9.304 1.00 20.32 H new ATOM 0 HA THR A 43 6.754 0.835 8.917 1.00 24.42 H new ATOM 0 HB THR A 43 7.205 0.044 11.118 1.00 31.51 H new ATOM 0 HG1 THR A 43 5.340 2.134 11.013 1.00 75.24 H new ATOM 0 HG21 THR A 43 7.669 1.597 13.066 1.00 13.01 H new ATOM 0 HG22 THR A 43 8.974 1.584 11.856 1.00 13.01 H new ATOM 0 HG23 THR A 43 7.818 2.936 11.903 1.00 13.01 H new ATOM 608 N GLY A 44 7.838 3.584 8.521 1.00 43.21 N ATOM 609 CA GLY A 44 7.734 5.027 8.385 1.00 3.25 C ATOM 610 C GLY A 44 8.380 5.509 7.108 1.00 52.23 C ATOM 611 O GLY A 44 8.766 4.694 6.266 1.00 41.31 O ATOM 0 H GLY A 44 8.632 3.174 8.029 1.00 43.21 H new ATOM 0 HA2 GLY A 44 6.684 5.320 8.396 1.00 3.25 H new ATOM 0 HA3 GLY A 44 8.209 5.509 9.239 1.00 3.25 H new ATOM 615 N ALA A 45 8.480 6.833 6.996 1.00 11.35 N ATOM 616 CA ALA A 45 9.158 7.529 5.908 1.00 75.51 C ATOM 617 C ALA A 45 10.578 6.988 5.788 1.00 15.25 C ATOM 618 O ALA A 45 10.962 6.479 4.745 1.00 42.14 O ATOM 619 CB ALA A 45 9.164 9.041 6.171 1.00 34.31 C ATOM 0 H ALA A 45 8.077 7.470 7.684 1.00 11.35 H new ATOM 0 HA ALA A 45 8.631 7.358 4.969 1.00 75.51 H new ATOM 0 HB1 ALA A 45 9.673 9.551 5.353 1.00 34.31 H new ATOM 0 HB2 ALA A 45 8.138 9.402 6.242 1.00 34.31 H new ATOM 0 HB3 ALA A 45 9.686 9.246 7.106 1.00 34.31 H new ATOM 625 N GLU A 46 11.323 7.037 6.892 1.00 54.42 N ATOM 626 CA GLU A 46 12.674 6.535 7.034 1.00 63.22 C ATOM 627 C GLU A 46 12.796 5.112 6.504 1.00 61.33 C ATOM 628 O GLU A 46 13.600 4.875 5.604 1.00 0.22 O ATOM 629 CB GLU A 46 13.055 6.629 8.520 1.00 24.54 C ATOM 630 CG GLU A 46 13.736 7.960 8.851 1.00 24.52 C ATOM 631 CD GLU A 46 12.980 9.169 8.303 1.00 24.23 C ATOM 632 OE1 GLU A 46 11.792 9.333 8.651 1.00 43.13 O ATOM 633 OE2 GLU A 46 13.565 9.923 7.483 1.00 55.42 O ATOM 0 H GLU A 46 10.973 7.453 7.755 1.00 54.42 H new ATOM 0 HA GLU A 46 13.364 7.135 6.440 1.00 63.22 H new ATOM 0 HB2 GLU A 46 12.160 6.517 9.132 1.00 24.54 H new ATOM 0 HB3 GLU A 46 13.722 5.806 8.777 1.00 24.54 H new ATOM 0 HG2 GLU A 46 13.828 8.056 9.933 1.00 24.52 H new ATOM 0 HG3 GLU A 46 14.747 7.956 8.444 1.00 24.52 H new ATOM 638 N GLY A 47 12.014 4.177 7.046 1.00 53.33 N ATOM 639 CA GLY A 47 12.078 2.781 6.646 1.00 52.34 C ATOM 640 C GLY A 47 11.808 2.625 5.152 1.00 35.23 C ATOM 641 O GLY A 47 12.590 2.014 4.430 1.00 42.30 O ATOM 0 H GLY A 47 11.323 4.371 7.771 1.00 53.33 H new ATOM 0 HA2 GLY A 47 13.061 2.376 6.885 1.00 52.34 H new ATOM 0 HA3 GLY A 47 11.348 2.203 7.213 1.00 52.34 H new ATOM 645 N ALA A 48 10.717 3.226 4.672 1.00 62.43 N ATOM 646 CA ALA A 48 10.326 3.155 3.274 1.00 34.53 C ATOM 647 C ALA A 48 11.284 3.914 2.352 1.00 2.45 C ATOM 648 O ALA A 48 11.153 3.786 1.144 1.00 33.13 O ATOM 649 CB ALA A 48 8.894 3.681 3.115 1.00 61.44 C ATOM 0 H ALA A 48 10.081 3.776 5.250 1.00 62.43 H new ATOM 0 HA ALA A 48 10.372 2.109 2.972 1.00 34.53 H new ATOM 0 HB1 ALA A 48 8.601 3.628 2.066 1.00 61.44 H new ATOM 0 HB2 ALA A 48 8.215 3.073 3.713 1.00 61.44 H new ATOM 0 HB3 ALA A 48 8.847 4.716 3.453 1.00 61.44 H new ATOM 655 N ARG A 49 12.212 4.724 2.866 1.00 15.01 N ATOM 656 CA ARG A 49 13.236 5.400 2.080 1.00 2.13 C ATOM 657 C ARG A 49 14.436 4.471 1.981 1.00 22.12 C ATOM 658 O ARG A 49 14.851 4.092 0.885 1.00 11.04 O ATOM 659 CB ARG A 49 13.572 6.726 2.781 1.00 40.34 C ATOM 660 CG ARG A 49 14.669 7.559 2.111 1.00 22.25 C ATOM 661 CD ARG A 49 14.948 8.753 3.030 1.00 3.41 C ATOM 662 NE ARG A 49 15.870 9.721 2.424 1.00 42.23 N ATOM 663 CZ ARG A 49 16.379 10.788 3.048 1.00 12.15 C ATOM 664 NH1 ARG A 49 15.938 11.131 4.255 1.00 52.30 N ATOM 665 NH2 ARG A 49 17.327 11.502 2.460 1.00 64.42 N ATOM 0 H ARG A 49 12.270 4.930 3.863 1.00 15.01 H new ATOM 0 HA ARG A 49 12.904 5.631 1.068 1.00 2.13 H new ATOM 0 HB2 ARG A 49 12.665 7.328 2.838 1.00 40.34 H new ATOM 0 HB3 ARG A 49 13.877 6.510 3.805 1.00 40.34 H new ATOM 0 HG2 ARG A 49 15.571 6.964 1.967 1.00 22.25 H new ATOM 0 HG3 ARG A 49 14.349 7.897 1.125 1.00 22.25 H new ATOM 0 HD2 ARG A 49 14.009 9.251 3.270 1.00 3.41 H new ATOM 0 HD3 ARG A 49 15.368 8.395 3.970 1.00 3.41 H new ATOM 0 HE ARG A 49 16.143 9.568 1.453 1.00 42.23 H new ATOM 0 HH11 ARG A 49 15.209 10.579 4.707 1.00 52.30 H new ATOM 0 HH12 ARG A 49 16.329 11.946 4.728 1.00 52.30 H new ATOM 0 HH21 ARG A 49 17.666 11.237 1.535 1.00 64.42 H new ATOM 0 HH22 ARG A 49 17.719 12.317 2.932 1.00 64.42 H new ATOM 676 N GLN A 50 14.971 4.085 3.139 1.00 63.23 N ATOM 677 CA GLN A 50 16.195 3.311 3.266 1.00 13.35 C ATOM 678 C GLN A 50 16.023 1.923 2.662 1.00 3.23 C ATOM 679 O GLN A 50 17.000 1.319 2.221 1.00 73.21 O ATOM 680 CB GLN A 50 16.603 3.249 4.749 1.00 53.22 C ATOM 681 CG GLN A 50 17.188 4.596 5.207 1.00 64.21 C ATOM 682 CD GLN A 50 17.011 4.859 6.693 1.00 12.22 C ATOM 683 OE1 GLN A 50 17.859 4.544 7.516 1.00 23.41 O ATOM 684 NE2 GLN A 50 15.926 5.509 7.065 1.00 13.43 N ATOM 0 H GLN A 50 14.548 4.312 4.039 1.00 63.23 H new ATOM 0 HA GLN A 50 16.996 3.797 2.709 1.00 13.35 H new ATOM 0 HB2 GLN A 50 15.736 2.996 5.360 1.00 53.22 H new ATOM 0 HB3 GLN A 50 17.338 2.458 4.897 1.00 53.22 H new ATOM 0 HG2 GLN A 50 18.251 4.623 4.965 1.00 64.21 H new ATOM 0 HG3 GLN A 50 16.713 5.400 4.645 1.00 64.21 H new ATOM 0 HE21 GLN A 50 15.224 5.768 6.372 1.00 13.43 H new ATOM 0 HE22 GLN A 50 15.789 5.753 8.046 1.00 13.43 H new ATOM 691 N ARG A 51 14.787 1.425 2.576 1.00 44.30 N ATOM 692 CA ARG A 51 14.481 0.133 1.985 1.00 53.10 C ATOM 693 C ARG A 51 13.709 0.277 0.673 1.00 24.25 C ATOM 694 O ARG A 51 13.129 -0.702 0.215 1.00 0.45 O ATOM 695 CB ARG A 51 13.809 -0.785 3.026 1.00 22.31 C ATOM 696 CG ARG A 51 14.636 -0.979 4.312 1.00 22.25 C ATOM 697 CD ARG A 51 15.938 -1.759 4.068 1.00 21.15 C ATOM 698 NE ARG A 51 16.030 -2.974 4.897 1.00 60.32 N ATOM 699 CZ ARG A 51 16.301 -3.030 6.204 1.00 64.31 C ATOM 700 NH1 ARG A 51 16.467 -1.924 6.917 1.00 62.20 N ATOM 701 NH2 ARG A 51 16.407 -4.211 6.794 1.00 74.13 N ATOM 0 H ARG A 51 13.964 1.919 2.921 1.00 44.30 H new ATOM 0 HA ARG A 51 15.410 -0.361 1.700 1.00 53.10 H new ATOM 0 HB2 ARG A 51 12.837 -0.368 3.290 1.00 22.31 H new ATOM 0 HB3 ARG A 51 13.626 -1.759 2.573 1.00 22.31 H new ATOM 0 HG2 ARG A 51 14.876 -0.004 4.736 1.00 22.25 H new ATOM 0 HG3 ARG A 51 14.033 -1.508 5.050 1.00 22.25 H new ATOM 0 HD2 ARG A 51 16.001 -2.035 3.015 1.00 21.15 H new ATOM 0 HD3 ARG A 51 16.790 -1.113 4.279 1.00 21.15 H new ATOM 0 HE ARG A 51 15.870 -3.864 4.424 1.00 60.32 H new ATOM 0 HH11 ARG A 51 16.388 -1.011 6.468 1.00 62.20 H new ATOM 0 HH12 ARG A 51 16.673 -1.986 7.914 1.00 62.20 H new ATOM 0 HH21 ARG A 51 16.282 -5.065 6.251 1.00 74.13 H new ATOM 0 HH22 ARG A 51 16.614 -4.266 7.791 1.00 74.13 H new ATOM 712 N LEU A 52 13.716 1.451 0.030 1.00 35.35 N ATOM 713 CA LEU A 52 13.237 1.652 -1.342 1.00 11.03 C ATOM 714 C LEU A 52 14.408 1.766 -2.277 1.00 34.13 C ATOM 715 O LEU A 52 14.493 0.997 -3.230 1.00 0.44 O ATOM 716 CB LEU A 52 12.417 2.941 -1.424 1.00 73.31 C ATOM 717 CG LEU A 52 11.978 3.495 -2.808 1.00 12.24 C ATOM 718 CD1 LEU A 52 12.555 4.856 -3.185 1.00 31.23 C ATOM 719 CD2 LEU A 52 11.990 2.592 -4.043 1.00 0.15 C ATOM 0 H LEU A 52 14.063 2.308 0.460 1.00 35.35 H new ATOM 0 HA LEU A 52 12.617 0.801 -1.624 1.00 11.03 H new ATOM 0 HB2 LEU A 52 11.513 2.788 -0.834 1.00 73.31 H new ATOM 0 HB3 LEU A 52 12.992 3.723 -0.929 1.00 73.31 H new ATOM 0 HG LEU A 52 10.923 3.581 -2.549 1.00 12.24 H new ATOM 0 HD11 LEU A 52 12.185 5.148 -4.168 1.00 31.23 H new ATOM 0 HD12 LEU A 52 12.250 5.598 -2.447 1.00 31.23 H new ATOM 0 HD13 LEU A 52 13.643 4.796 -3.210 1.00 31.23 H new ATOM 0 HD21 LEU A 52 11.652 3.158 -4.911 1.00 0.15 H new ATOM 0 HD22 LEU A 52 13.003 2.229 -4.219 1.00 0.15 H new ATOM 0 HD23 LEU A 52 11.324 1.744 -3.880 1.00 0.15 H new ATOM 730 N GLU A 53 15.252 2.781 -2.075 1.00 22.51 N ATOM 731 CA GLU A 53 15.966 3.375 -3.205 1.00 3.24 C ATOM 732 C GLU A 53 16.986 2.422 -3.831 1.00 53.22 C ATOM 733 O GLU A 53 17.530 2.693 -4.900 1.00 42.31 O ATOM 734 CB GLU A 53 16.677 4.669 -2.767 1.00 14.25 C ATOM 735 CG GLU A 53 15.742 5.813 -2.350 1.00 12.35 C ATOM 736 CD GLU A 53 16.498 7.082 -1.958 1.00 71.12 C ATOM 737 OE1 GLU A 53 17.430 7.499 -2.686 1.00 54.12 O ATOM 738 OE2 GLU A 53 16.149 7.706 -0.933 1.00 35.22 O ATOM 0 H GLU A 53 15.453 3.198 -1.166 1.00 22.51 H new ATOM 0 HA GLU A 53 15.216 3.596 -3.964 1.00 3.24 H new ATOM 0 HB2 GLU A 53 17.338 4.438 -1.932 1.00 14.25 H new ATOM 0 HB3 GLU A 53 17.307 5.015 -3.586 1.00 14.25 H new ATOM 0 HG2 GLU A 53 15.063 6.039 -3.172 1.00 12.35 H new ATOM 0 HG3 GLU A 53 15.128 5.487 -1.510 1.00 12.35 H new ATOM 743 N ASN A 54 17.226 1.306 -3.156 1.00 64.33 N ATOM 744 CA ASN A 54 18.281 0.344 -3.357 1.00 32.34 C ATOM 745 C ASN A 54 17.710 -1.084 -3.274 1.00 41.00 C ATOM 746 O ASN A 54 18.392 -2.005 -2.821 1.00 13.33 O ATOM 747 CB ASN A 54 19.434 0.636 -2.359 1.00 21.45 C ATOM 748 CG ASN A 54 19.048 1.407 -1.091 1.00 71.14 C ATOM 749 OD1 ASN A 54 19.691 2.403 -0.767 1.00 23.13 O ATOM 750 ND2 ASN A 54 17.992 1.031 -0.383 1.00 72.33 N ATOM 0 H ASN A 54 16.623 1.033 -2.380 1.00 64.33 H new ATOM 0 HA ASN A 54 18.711 0.430 -4.355 1.00 32.34 H new ATOM 0 HB2 ASN A 54 19.879 -0.313 -2.061 1.00 21.45 H new ATOM 0 HB3 ASN A 54 20.206 1.200 -2.882 1.00 21.45 H new ATOM 0 HD21 ASN A 54 17.709 1.569 0.436 1.00 72.33 H new ATOM 0 HD22 ASN A 54 17.463 0.203 -0.657 1.00 72.33 H new ATOM 756 N ILE A 55 16.447 -1.268 -3.689 1.00 34.15 N ATOM 757 CA ILE A 55 15.709 -2.535 -3.614 1.00 43.30 C ATOM 758 C ILE A 55 16.464 -3.632 -4.380 1.00 52.31 C ATOM 759 O ILE A 55 17.377 -3.338 -5.158 1.00 33.25 O ATOM 760 CB ILE A 55 14.260 -2.328 -4.128 1.00 33.45 C ATOM 761 CG1 ILE A 55 13.252 -3.325 -3.531 1.00 51.10 C ATOM 762 CG2 ILE A 55 14.171 -2.427 -5.660 1.00 1.42 C ATOM 763 CD1 ILE A 55 12.980 -3.048 -2.048 1.00 55.41 C ATOM 0 H ILE A 55 15.895 -0.514 -4.099 1.00 34.15 H new ATOM 0 HA ILE A 55 15.638 -2.867 -2.578 1.00 43.30 H new ATOM 0 HB ILE A 55 13.997 -1.323 -3.799 1.00 33.45 H new ATOM 0 HG12 ILE A 55 12.316 -3.271 -4.087 1.00 51.10 H new ATOM 0 HG13 ILE A 55 13.634 -4.339 -3.646 1.00 51.10 H new ATOM 0 HG21 ILE A 55 13.139 -2.276 -5.975 1.00 1.42 H new ATOM 0 HG22 ILE A 55 14.804 -1.663 -6.111 1.00 1.42 H new ATOM 0 HG23 ILE A 55 14.508 -3.413 -5.981 1.00 1.42 H new ATOM 0 HD11 ILE A 55 12.263 -3.775 -1.668 1.00 55.41 H new ATOM 0 HD12 ILE A 55 13.911 -3.128 -1.486 1.00 55.41 H new ATOM 0 HD13 ILE A 55 12.573 -2.043 -1.934 1.00 55.41 H new ATOM 774 N GLN A 56 16.086 -4.891 -4.168 1.00 13.25 N ATOM 775 CA GLN A 56 16.620 -6.012 -4.915 1.00 12.15 C ATOM 776 C GLN A 56 15.466 -6.829 -5.503 1.00 11.42 C ATOM 777 O GLN A 56 14.377 -6.835 -4.925 1.00 14.15 O ATOM 778 CB GLN A 56 17.438 -6.881 -3.964 1.00 64.10 C ATOM 779 CG GLN A 56 18.778 -6.228 -3.616 1.00 42.31 C ATOM 780 CD GLN A 56 18.857 -5.882 -2.140 1.00 41.32 C ATOM 781 OE1 GLN A 56 19.082 -6.766 -1.318 1.00 13.35 O ATOM 782 NE2 GLN A 56 18.673 -4.631 -1.765 1.00 61.11 N ATOM 0 H GLN A 56 15.395 -5.157 -3.466 1.00 13.25 H new ATOM 0 HA GLN A 56 17.252 -5.657 -5.729 1.00 12.15 H new ATOM 0 HB2 GLN A 56 16.870 -7.056 -3.050 1.00 64.10 H new ATOM 0 HB3 GLN A 56 17.615 -7.855 -4.421 1.00 64.10 H new ATOM 0 HG2 GLN A 56 19.593 -6.903 -3.877 1.00 42.31 H new ATOM 0 HG3 GLN A 56 18.910 -5.324 -4.211 1.00 42.31 H new ATOM 0 HE21 GLN A 56 18.487 -3.911 -2.463 1.00 61.11 H new ATOM 0 HE22 GLN A 56 18.716 -4.383 -0.777 1.00 61.11 H new ATOM 789 N PRO A 57 15.720 -7.648 -6.537 1.00 31.11 N ATOM 790 CA PRO A 57 14.714 -8.529 -7.123 1.00 63.35 C ATOM 791 C PRO A 57 14.254 -9.638 -6.168 1.00 21.20 C ATOM 792 O PRO A 57 13.246 -10.303 -6.415 1.00 71.05 O ATOM 793 CB PRO A 57 15.396 -9.114 -8.358 1.00 53.15 C ATOM 794 CG PRO A 57 16.886 -9.083 -8.035 1.00 12.41 C ATOM 795 CD PRO A 57 17.010 -7.815 -7.196 1.00 15.44 C ATOM 0 HA PRO A 57 13.802 -7.981 -7.358 1.00 63.35 H new ATOM 0 HB2 PRO A 57 15.055 -10.131 -8.553 1.00 53.15 H new ATOM 0 HB3 PRO A 57 15.172 -8.526 -9.248 1.00 53.15 H new ATOM 0 HG2 PRO A 57 17.201 -9.968 -7.483 1.00 12.41 H new ATOM 0 HG3 PRO A 57 17.497 -9.036 -8.937 1.00 12.41 H new ATOM 0 HD2 PRO A 57 17.814 -7.906 -6.465 1.00 15.44 H new ATOM 0 HD3 PRO A 57 17.244 -6.954 -7.821 1.00 15.44 H new ATOM 800 N ALA A 58 14.984 -9.870 -5.079 1.00 1.41 N ATOM 801 CA ALA A 58 14.592 -10.805 -4.042 1.00 75.35 C ATOM 802 C ALA A 58 13.594 -10.180 -3.072 1.00 35.41 C ATOM 803 O ALA A 58 12.685 -10.862 -2.608 1.00 62.11 O ATOM 804 CB ALA A 58 15.842 -11.211 -3.286 1.00 63.15 C ATOM 0 H ALA A 58 15.873 -9.406 -4.896 1.00 1.41 H new ATOM 0 HA ALA A 58 14.109 -11.667 -4.502 1.00 75.35 H new ATOM 0 HB1 ALA A 58 15.578 -11.916 -2.498 1.00 63.15 H new ATOM 0 HB2 ALA A 58 16.546 -11.682 -3.973 1.00 63.15 H new ATOM 0 HB3 ALA A 58 16.303 -10.328 -2.844 1.00 63.15 H new ATOM 810 N ASP A 59 13.728 -8.881 -2.782 1.00 64.55 N ATOM 811 CA ASP A 59 12.912 -8.204 -1.771 1.00 11.21 C ATOM 812 C ASP A 59 11.449 -8.134 -2.225 1.00 12.11 C ATOM 813 O ASP A 59 10.556 -7.907 -1.411 1.00 2.21 O ATOM 814 CB ASP A 59 13.451 -6.778 -1.502 1.00 11.01 C ATOM 815 CG ASP A 59 14.553 -6.671 -0.446 1.00 11.24 C ATOM 816 OD1 ASP A 59 15.272 -7.656 -0.163 1.00 62.23 O ATOM 817 OD2 ASP A 59 14.766 -5.569 0.106 1.00 14.32 O ATOM 0 H ASP A 59 14.404 -8.271 -3.241 1.00 64.55 H new ATOM 0 HA ASP A 59 12.968 -8.778 -0.846 1.00 11.21 H new ATOM 0 HB2 ASP A 59 13.831 -6.371 -2.439 1.00 11.01 H new ATOM 0 HB3 ASP A 59 12.617 -6.147 -1.195 1.00 11.01 H new ATOM 821 N VAL A 60 11.175 -8.319 -3.520 1.00 15.11 N ATOM 822 CA VAL A 60 9.837 -8.468 -4.087 1.00 24.21 C ATOM 823 C VAL A 60 9.435 -9.946 -4.090 1.00 11.40 C ATOM 824 O VAL A 60 8.372 -10.294 -3.566 1.00 21.23 O ATOM 825 CB VAL A 60 9.762 -7.792 -5.471 1.00 71.35 C ATOM 826 CG1 VAL A 60 10.955 -8.125 -6.371 1.00 31.02 C ATOM 827 CG2 VAL A 60 8.466 -8.139 -6.211 1.00 51.21 C ATOM 0 H VAL A 60 11.909 -8.371 -4.226 1.00 15.11 H new ATOM 0 HA VAL A 60 9.103 -7.953 -3.467 1.00 24.21 H new ATOM 0 HB VAL A 60 9.784 -6.723 -5.261 1.00 71.35 H new ATOM 0 HG11 VAL A 60 10.841 -7.618 -7.329 1.00 31.02 H new ATOM 0 HG12 VAL A 60 11.876 -7.792 -5.892 1.00 31.02 H new ATOM 0 HG13 VAL A 60 10.999 -9.202 -6.533 1.00 31.02 H new ATOM 0 HG21 VAL A 60 8.456 -7.641 -7.181 1.00 51.21 H new ATOM 0 HG22 VAL A 60 8.408 -9.218 -6.356 1.00 51.21 H new ATOM 0 HG23 VAL A 60 7.611 -7.805 -5.623 1.00 51.21 H new ATOM 837 N SER A 61 10.289 -10.838 -4.601 1.00 32.14 N ATOM 838 CA SER A 61 10.116 -12.285 -4.530 1.00 35.31 C ATOM 839 C SER A 61 10.344 -12.853 -3.122 1.00 43.34 C ATOM 840 O SER A 61 10.750 -13.996 -2.972 1.00 20.22 O ATOM 841 CB SER A 61 10.928 -12.970 -5.636 1.00 43.24 C ATOM 842 OG SER A 61 10.176 -12.898 -6.840 1.00 0.42 O ATOM 0 H SER A 61 11.142 -10.562 -5.088 1.00 32.14 H new ATOM 0 HA SER A 61 9.068 -12.515 -4.724 1.00 35.31 H new ATOM 0 HB2 SER A 61 11.894 -12.480 -5.760 1.00 43.24 H new ATOM 0 HB3 SER A 61 11.129 -14.009 -5.374 1.00 43.24 H new ATOM 0 HG SER A 61 9.878 -11.976 -6.985 1.00 0.42 H new ATOM 847 N MET A 62 9.932 -12.122 -2.091 1.00 60.45 N ATOM 848 CA MET A 62 9.596 -12.644 -0.777 1.00 64.45 C ATOM 849 C MET A 62 8.138 -12.300 -0.463 1.00 21.52 C ATOM 850 O MET A 62 7.408 -13.152 0.028 1.00 60.25 O ATOM 851 CB MET A 62 10.609 -12.137 0.254 1.00 41.34 C ATOM 852 CG MET A 62 10.569 -10.626 0.497 1.00 53.24 C ATOM 853 SD MET A 62 11.821 -10.028 1.657 1.00 72.53 S ATOM 854 CE MET A 62 11.350 -11.004 3.105 1.00 43.34 C ATOM 0 H MET A 62 9.820 -11.110 -2.154 1.00 60.45 H new ATOM 0 HA MET A 62 9.667 -13.731 -0.746 1.00 64.45 H new ATOM 0 HB2 MET A 62 10.432 -12.649 1.200 1.00 41.34 H new ATOM 0 HB3 MET A 62 11.611 -12.413 -0.075 1.00 41.34 H new ATOM 0 HG2 MET A 62 10.698 -10.113 -0.456 1.00 53.24 H new ATOM 0 HG3 MET A 62 9.582 -10.356 0.874 1.00 53.24 H new ATOM 0 HE1 MET A 62 11.754 -10.539 4.004 1.00 43.34 H new ATOM 0 HE2 MET A 62 10.263 -11.048 3.176 1.00 43.34 H new ATOM 0 HE3 MET A 62 11.749 -12.014 3.008 1.00 43.34 H new ATOM 862 N ILE A 63 7.653 -11.114 -0.847 1.00 72.41 N ATOM 863 CA ILE A 63 6.283 -10.656 -0.627 1.00 2.43 C ATOM 864 C ILE A 63 5.301 -11.645 -1.252 1.00 52.45 C ATOM 865 O ILE A 63 4.297 -12.007 -0.634 1.00 21.33 O ATOM 866 CB ILE A 63 6.071 -9.241 -1.225 1.00 12.02 C ATOM 867 CG1 ILE A 63 7.157 -8.212 -0.842 1.00 74.25 C ATOM 868 CG2 ILE A 63 4.690 -8.706 -0.808 1.00 24.50 C ATOM 869 CD1 ILE A 63 7.121 -6.995 -1.777 1.00 22.41 C ATOM 0 H ILE A 63 8.226 -10.426 -1.336 1.00 72.41 H new ATOM 0 HA ILE A 63 6.104 -10.601 0.447 1.00 2.43 H new ATOM 0 HB ILE A 63 6.140 -9.362 -2.306 1.00 12.02 H new ATOM 0 HG12 ILE A 63 7.008 -7.888 0.188 1.00 74.25 H new ATOM 0 HG13 ILE A 63 8.140 -8.681 -0.889 1.00 74.25 H new ATOM 0 HG21 ILE A 63 4.543 -7.711 -1.229 1.00 24.50 H new ATOM 0 HG22 ILE A 63 3.914 -9.375 -1.178 1.00 24.50 H new ATOM 0 HG23 ILE A 63 4.634 -8.652 0.279 1.00 24.50 H new ATOM 0 HD11 ILE A 63 7.896 -6.288 -1.483 1.00 22.41 H new ATOM 0 HD12 ILE A 63 7.295 -7.319 -2.803 1.00 22.41 H new ATOM 0 HD13 ILE A 63 6.146 -6.513 -1.709 1.00 22.41 H new ATOM 880 N LYS A 64 5.610 -12.096 -2.471 1.00 12.42 N ATOM 881 CA LYS A 64 4.801 -13.054 -3.214 1.00 42.13 C ATOM 882 C LYS A 64 4.592 -14.340 -2.421 1.00 21.20 C ATOM 883 O LYS A 64 3.523 -14.938 -2.513 1.00 2.41 O ATOM 884 CB LYS A 64 5.460 -13.316 -4.583 1.00 64.15 C ATOM 885 CG LYS A 64 5.251 -12.125 -5.540 1.00 71.01 C ATOM 886 CD LYS A 64 6.484 -11.595 -6.291 1.00 11.14 C ATOM 887 CE LYS A 64 6.643 -12.019 -7.758 1.00 51.22 C ATOM 888 NZ LYS A 64 7.495 -13.209 -7.973 1.00 1.51 N ATOM 0 H LYS A 64 6.445 -11.797 -2.974 1.00 12.42 H new ATOM 0 HA LYS A 64 3.808 -12.636 -3.380 1.00 42.13 H new ATOM 0 HB2 LYS A 64 6.527 -13.494 -4.448 1.00 64.15 H new ATOM 0 HB3 LYS A 64 5.039 -14.219 -5.025 1.00 64.15 H new ATOM 0 HG2 LYS A 64 4.505 -12.415 -6.280 1.00 71.01 H new ATOM 0 HG3 LYS A 64 4.827 -11.302 -4.965 1.00 71.01 H new ATOM 0 HD2 LYS A 64 6.461 -10.506 -6.254 1.00 11.14 H new ATOM 0 HD3 LYS A 64 7.374 -11.913 -5.748 1.00 11.14 H new ATOM 0 HE2 LYS A 64 5.655 -12.218 -8.173 1.00 51.22 H new ATOM 0 HE3 LYS A 64 7.062 -11.184 -8.319 1.00 51.22 H new ATOM 0 HZ1 LYS A 64 7.600 -13.381 -8.993 1.00 1.51 H new ATOM 0 HZ2 LYS A 64 8.431 -13.046 -7.551 1.00 1.51 H new ATOM 0 HZ3 LYS A 64 7.053 -14.038 -7.526 1.00 1.51 H new ATOM 898 N LYS A 65 5.579 -14.773 -1.633 1.00 61.42 N ATOM 899 CA LYS A 65 5.484 -16.001 -0.852 1.00 32.14 C ATOM 900 C LYS A 65 4.585 -15.832 0.368 1.00 35.31 C ATOM 901 O LYS A 65 4.111 -16.834 0.900 1.00 61.55 O ATOM 902 CB LYS A 65 6.874 -16.454 -0.392 1.00 0.24 C ATOM 903 CG LYS A 65 7.726 -17.046 -1.511 1.00 14.00 C ATOM 904 CD LYS A 65 8.313 -16.037 -2.502 1.00 12.42 C ATOM 905 CE LYS A 65 9.530 -16.693 -3.161 1.00 40.23 C ATOM 906 NZ LYS A 65 10.734 -16.635 -2.304 1.00 52.04 N ATOM 0 H LYS A 65 6.465 -14.280 -1.521 1.00 61.42 H new ATOM 0 HA LYS A 65 5.044 -16.757 -1.502 1.00 32.14 H new ATOM 0 HB2 LYS A 65 7.399 -15.603 0.041 1.00 0.24 H new ATOM 0 HB3 LYS A 65 6.762 -17.196 0.399 1.00 0.24 H new ATOM 0 HG2 LYS A 65 8.546 -17.605 -1.061 1.00 14.00 H new ATOM 0 HG3 LYS A 65 7.119 -17.761 -2.066 1.00 14.00 H new ATOM 0 HD2 LYS A 65 7.572 -15.762 -3.253 1.00 12.42 H new ATOM 0 HD3 LYS A 65 8.603 -15.120 -1.989 1.00 12.42 H new ATOM 0 HE2 LYS A 65 9.299 -17.734 -3.389 1.00 40.23 H new ATOM 0 HE3 LYS A 65 9.738 -16.197 -4.109 1.00 40.23 H new ATOM 0 HZ1 LYS A 65 11.456 -17.285 -2.675 1.00 52.04 H new ATOM 0 HZ2 LYS A 65 11.111 -15.666 -2.300 1.00 52.04 H new ATOM 0 HZ3 LYS A 65 10.483 -16.913 -1.334 1.00 52.04 H new ATOM 916 N GLN A 66 4.299 -14.601 0.795 1.00 20.14 N ATOM 917 CA GLN A 66 3.515 -14.337 1.994 1.00 63.45 C ATOM 918 C GLN A 66 2.025 -14.174 1.652 1.00 73.21 C ATOM 919 O GLN A 66 1.281 -13.518 2.383 1.00 40.41 O ATOM 920 CB GLN A 66 4.123 -13.169 2.786 1.00 20.51 C ATOM 921 CG GLN A 66 5.318 -13.612 3.665 1.00 34.10 C ATOM 922 CD GLN A 66 6.695 -13.168 3.186 1.00 12.41 C ATOM 923 OE1 GLN A 66 6.841 -11.931 2.755 1.00 34.33 O flip ATOM 924 NE2 GLN A 66 7.679 -13.899 3.270 1.00 24.53 N flip ATOM 0 H GLN A 66 4.608 -13.757 0.313 1.00 20.14 H new ATOM 0 HA GLN A 66 3.559 -15.198 2.661 1.00 63.45 H new ATOM 0 HB2 GLN A 66 4.453 -12.396 2.092 1.00 20.51 H new ATOM 0 HB3 GLN A 66 3.355 -12.724 3.419 1.00 20.51 H new ATOM 0 HG2 GLN A 66 5.164 -13.229 4.674 1.00 34.10 H new ATOM 0 HG3 GLN A 66 5.311 -14.700 3.733 1.00 34.10 H new ATOM 0 HE21 GLN A 66 7.575 -14.858 3.603 1.00 24.53 H new ATOM 0 HE22 GLN A 66 8.600 -13.547 3.007 1.00 24.53 H new ATOM 931 N GLY A 67 1.568 -14.748 0.535 1.00 61.42 N ATOM 932 CA GLY A 67 0.155 -14.781 0.204 1.00 55.44 C ATOM 933 C GLY A 67 -0.338 -13.478 -0.412 1.00 75.55 C ATOM 934 O GLY A 67 -1.455 -13.048 -0.114 1.00 55.45 O ATOM 0 H GLY A 67 2.169 -15.198 -0.156 1.00 61.42 H new ATOM 0 HA2 GLY A 67 -0.032 -15.600 -0.491 1.00 55.44 H new ATOM 0 HA3 GLY A 67 -0.420 -14.991 1.106 1.00 55.44 H new ATOM 938 N THR A 68 0.497 -12.846 -1.239 1.00 61.32 N ATOM 939 CA THR A 68 0.274 -11.518 -1.789 1.00 55.21 C ATOM 940 C THR A 68 0.247 -11.596 -3.317 1.00 20.12 C ATOM 941 O THR A 68 0.989 -12.388 -3.903 1.00 12.32 O ATOM 942 CB THR A 68 1.410 -10.589 -1.328 1.00 42.44 C ATOM 943 OG1 THR A 68 1.826 -10.847 0.004 1.00 1.34 O ATOM 944 CG2 THR A 68 0.995 -9.123 -1.434 1.00 33.51 C ATOM 0 H THR A 68 1.374 -13.263 -1.551 1.00 61.32 H new ATOM 0 HA THR A 68 -0.680 -11.125 -1.439 1.00 55.21 H new ATOM 0 HB THR A 68 2.249 -10.793 -1.994 1.00 42.44 H new ATOM 0 HG1 THR A 68 2.709 -11.273 -0.006 1.00 1.34 H new ATOM 0 HG21 THR A 68 1.816 -8.488 -1.102 1.00 33.51 H new ATOM 0 HG22 THR A 68 0.750 -8.888 -2.470 1.00 33.51 H new ATOM 0 HG23 THR A 68 0.122 -8.946 -0.806 1.00 33.51 H new ATOM 952 N THR A 69 -0.532 -10.730 -3.965 1.00 54.43 N ATOM 953 CA THR A 69 -0.581 -10.600 -5.416 1.00 12.14 C ATOM 954 C THR A 69 -0.236 -9.168 -5.819 1.00 74.34 C ATOM 955 O THR A 69 -0.147 -8.283 -4.965 1.00 24.21 O ATOM 956 CB THR A 69 -1.958 -11.032 -5.934 1.00 74.32 C ATOM 957 OG1 THR A 69 -2.999 -10.289 -5.337 1.00 55.52 O ATOM 958 CG2 THR A 69 -2.189 -12.509 -5.630 1.00 24.03 C ATOM 0 H THR A 69 -1.159 -10.086 -3.482 1.00 54.43 H new ATOM 0 HA THR A 69 0.159 -11.257 -5.872 1.00 12.14 H new ATOM 0 HB THR A 69 -1.968 -10.853 -7.009 1.00 74.32 H new ATOM 0 HG1 THR A 69 -3.861 -10.590 -5.692 1.00 55.52 H new ATOM 0 HG21 THR A 69 -3.169 -12.808 -6.001 1.00 24.03 H new ATOM 0 HG22 THR A 69 -1.419 -13.106 -6.118 1.00 24.03 H new ATOM 0 HG23 THR A 69 -2.144 -12.670 -4.553 1.00 24.03 H new ATOM 966 N LEU A 70 -0.057 -8.942 -7.124 1.00 34.31 N ATOM 967 CA LEU A 70 0.266 -7.631 -7.670 1.00 22.10 C ATOM 968 C LEU A 70 -0.828 -6.620 -7.331 1.00 24.14 C ATOM 969 O LEU A 70 -0.528 -5.466 -7.037 1.00 43.25 O ATOM 970 CB LEU A 70 0.468 -7.761 -9.188 1.00 23.00 C ATOM 971 CG LEU A 70 0.851 -6.444 -9.890 1.00 64.05 C ATOM 972 CD1 LEU A 70 2.150 -5.844 -9.343 1.00 63.45 C ATOM 973 CD2 LEU A 70 1.000 -6.703 -11.392 1.00 42.32 C ATOM 0 H LEU A 70 -0.134 -9.672 -7.832 1.00 34.31 H new ATOM 0 HA LEU A 70 1.189 -7.261 -7.223 1.00 22.10 H new ATOM 0 HB2 LEU A 70 1.246 -8.500 -9.378 1.00 23.00 H new ATOM 0 HB3 LEU A 70 -0.450 -8.143 -9.634 1.00 23.00 H new ATOM 0 HG LEU A 70 0.056 -5.723 -9.698 1.00 64.05 H new ATOM 0 HD11 LEU A 70 2.374 -4.918 -9.872 1.00 63.45 H new ATOM 0 HD12 LEU A 70 2.035 -5.636 -8.279 1.00 63.45 H new ATOM 0 HD13 LEU A 70 2.967 -6.551 -9.488 1.00 63.45 H new ATOM 0 HD21 LEU A 70 1.271 -5.775 -11.896 1.00 42.32 H new ATOM 0 HD22 LEU A 70 1.779 -7.447 -11.557 1.00 42.32 H new ATOM 0 HD23 LEU A 70 0.056 -7.071 -11.793 1.00 42.32 H new ATOM 984 N GLU A 71 -2.087 -7.066 -7.299 1.00 62.13 N ATOM 985 CA GLU A 71 -3.216 -6.220 -6.924 1.00 72.34 C ATOM 986 C GLU A 71 -3.102 -5.672 -5.503 1.00 33.23 C ATOM 987 O GLU A 71 -3.697 -4.641 -5.187 1.00 20.34 O ATOM 988 CB GLU A 71 -4.532 -7.007 -7.045 1.00 63.44 C ATOM 989 CG GLU A 71 -5.392 -6.400 -8.149 1.00 12.21 C ATOM 990 CD GLU A 71 -6.870 -6.762 -8.006 1.00 0.12 C ATOM 991 OE1 GLU A 71 -7.512 -6.233 -7.065 1.00 2.10 O ATOM 992 OE2 GLU A 71 -7.384 -7.574 -8.807 1.00 31.23 O ATOM 0 H GLU A 71 -2.349 -8.024 -7.533 1.00 62.13 H new ATOM 0 HA GLU A 71 -3.207 -5.374 -7.611 1.00 72.34 H new ATOM 0 HB2 GLU A 71 -4.323 -8.053 -7.267 1.00 63.44 H new ATOM 0 HB3 GLU A 71 -5.070 -6.984 -6.097 1.00 63.44 H new ATOM 0 HG2 GLU A 71 -5.284 -5.315 -8.134 1.00 12.21 H new ATOM 0 HG3 GLU A 71 -5.029 -6.743 -9.118 1.00 12.21 H new ATOM 997 N MET A 72 -2.374 -6.375 -4.636 1.00 75.43 N ATOM 998 CA MET A 72 -2.140 -5.949 -3.265 1.00 34.03 C ATOM 999 C MET A 72 -0.989 -4.954 -3.148 1.00 63.24 C ATOM 1000 O MET A 72 -0.770 -4.439 -2.051 1.00 74.25 O ATOM 1001 CB MET A 72 -1.825 -7.130 -2.350 1.00 42.33 C ATOM 1002 CG MET A 72 -2.668 -7.101 -1.077 1.00 3.40 C ATOM 1003 SD MET A 72 -4.409 -7.585 -1.214 1.00 13.43 S ATOM 1004 CE MET A 72 -4.238 -9.281 -1.832 1.00 44.44 C ATOM 0 H MET A 72 -1.929 -7.262 -4.871 1.00 75.43 H new ATOM 0 HA MET A 72 -3.068 -5.468 -2.956 1.00 34.03 H new ATOM 0 HB2 MET A 72 -2.006 -8.062 -2.885 1.00 42.33 H new ATOM 0 HB3 MET A 72 -0.768 -7.114 -2.086 1.00 42.33 H new ATOM 0 HG2 MET A 72 -2.194 -7.755 -0.345 1.00 3.40 H new ATOM 0 HG3 MET A 72 -2.631 -6.090 -0.672 1.00 3.40 H new ATOM 0 HE1 MET A 72 -5.170 -9.823 -1.670 1.00 44.44 H new ATOM 0 HE2 MET A 72 -4.012 -9.259 -2.898 1.00 44.44 H new ATOM 0 HE3 MET A 72 -3.429 -9.782 -1.300 1.00 44.44 H new ATOM 1012 N ILE A 73 -0.266 -4.655 -4.218 1.00 41.51 N ATOM 1013 CA ILE A 73 0.778 -3.640 -4.225 1.00 1.31 C ATOM 1014 C ILE A 73 0.193 -2.366 -4.820 1.00 74.43 C ATOM 1015 O ILE A 73 0.391 -1.275 -4.280 1.00 61.11 O ATOM 1016 CB ILE A 73 1.980 -4.218 -5.006 1.00 40.15 C ATOM 1017 CG1 ILE A 73 2.490 -5.515 -4.333 1.00 32.41 C ATOM 1018 CG2 ILE A 73 3.142 -3.239 -5.232 1.00 2.21 C ATOM 1019 CD1 ILE A 73 2.694 -5.463 -2.806 1.00 22.14 C ATOM 0 H ILE A 73 -0.390 -5.117 -5.119 1.00 41.51 H new ATOM 0 HA ILE A 73 1.139 -3.378 -3.230 1.00 1.31 H new ATOM 0 HB ILE A 73 1.593 -4.435 -6.002 1.00 40.15 H new ATOM 0 HG12 ILE A 73 1.784 -6.315 -4.556 1.00 32.41 H new ATOM 0 HG13 ILE A 73 3.439 -5.789 -4.795 1.00 32.41 H new ATOM 0 HG21 ILE A 73 3.935 -3.738 -5.788 1.00 2.21 H new ATOM 0 HG22 ILE A 73 2.788 -2.378 -5.799 1.00 2.21 H new ATOM 0 HG23 ILE A 73 3.529 -2.905 -4.269 1.00 2.21 H new ATOM 0 HD11 ILE A 73 3.053 -6.430 -2.454 1.00 22.14 H new ATOM 0 HD12 ILE A 73 3.427 -4.694 -2.563 1.00 22.14 H new ATOM 0 HD13 ILE A 73 1.747 -5.228 -2.320 1.00 22.14 H new ATOM 1030 N THR A 74 -0.566 -2.506 -5.905 1.00 22.31 N ATOM 1031 CA THR A 74 -1.019 -1.374 -6.687 1.00 43.12 C ATOM 1032 C THR A 74 -1.952 -0.447 -5.903 1.00 12.43 C ATOM 1033 O THR A 74 -1.865 0.772 -6.075 1.00 54.31 O ATOM 1034 CB THR A 74 -1.654 -1.875 -7.995 1.00 11.10 C ATOM 1035 OG1 THR A 74 -2.515 -2.975 -7.781 1.00 32.43 O ATOM 1036 CG2 THR A 74 -0.570 -2.332 -8.973 1.00 34.01 C ATOM 0 H THR A 74 -0.880 -3.409 -6.261 1.00 22.31 H new ATOM 0 HA THR A 74 -0.152 -0.761 -6.933 1.00 43.12 H new ATOM 0 HB THR A 74 -2.224 -1.038 -8.399 1.00 11.10 H new ATOM 0 HG1 THR A 74 -2.899 -3.261 -8.636 1.00 32.43 H new ATOM 0 HG21 THR A 74 -1.035 -2.684 -9.894 1.00 34.01 H new ATOM 0 HG22 THR A 74 0.093 -1.496 -9.198 1.00 34.01 H new ATOM 0 HG23 THR A 74 0.006 -3.142 -8.525 1.00 34.01 H new ATOM 1044 N ALA A 75 -2.804 -0.974 -5.019 1.00 42.31 N ATOM 1045 CA ALA A 75 -3.814 -0.149 -4.362 1.00 43.33 C ATOM 1046 C ALA A 75 -3.220 0.626 -3.181 1.00 61.05 C ATOM 1047 O ALA A 75 -3.566 1.791 -2.981 1.00 4.44 O ATOM 1048 CB ALA A 75 -5.006 -1.013 -3.941 1.00 44.32 C ATOM 0 H ALA A 75 -2.813 -1.957 -4.746 1.00 42.31 H new ATOM 0 HA ALA A 75 -4.173 0.595 -5.073 1.00 43.33 H new ATOM 0 HB1 ALA A 75 -5.753 -0.388 -3.452 1.00 44.32 H new ATOM 0 HB2 ALA A 75 -5.445 -1.482 -4.822 1.00 44.32 H new ATOM 0 HB3 ALA A 75 -4.669 -1.785 -3.249 1.00 44.32 H new ATOM 1054 N TRP A 76 -2.321 -0.001 -2.415 1.00 71.04 N ATOM 1055 CA TRP A 76 -1.566 0.618 -1.337 1.00 13.44 C ATOM 1056 C TRP A 76 -0.661 1.706 -1.881 1.00 15.35 C ATOM 1057 O TRP A 76 -0.507 2.740 -1.234 1.00 53.00 O ATOM 1058 CB TRP A 76 -0.738 -0.437 -0.586 1.00 15.14 C ATOM 1059 CG TRP A 76 -1.543 -1.171 0.436 1.00 43.03 C ATOM 1060 CD1 TRP A 76 -2.024 -2.428 0.331 1.00 1.22 C ATOM 1061 CD2 TRP A 76 -2.099 -0.633 1.666 1.00 53.12 C ATOM 1062 NE1 TRP A 76 -2.862 -2.698 1.388 1.00 44.03 N ATOM 1063 CE2 TRP A 76 -2.983 -1.605 2.218 1.00 24.41 C ATOM 1064 CE3 TRP A 76 -2.029 0.625 2.303 1.00 51.23 C ATOM 1065 CZ2 TRP A 76 -3.793 -1.322 3.322 1.00 2.34 C ATOM 1066 CZ3 TRP A 76 -2.822 0.910 3.429 1.00 64.33 C ATOM 1067 CH2 TRP A 76 -3.712 -0.060 3.925 1.00 42.31 C ATOM 0 H TRP A 76 -2.096 -0.988 -2.539 1.00 71.04 H new ATOM 0 HA TRP A 76 -2.271 1.069 -0.638 1.00 13.44 H new ATOM 0 HB2 TRP A 76 -0.328 -1.150 -1.301 1.00 15.14 H new ATOM 0 HB3 TRP A 76 0.108 0.048 -0.099 1.00 15.14 H new ATOM 0 HD1 TRP A 76 -1.786 -3.119 -0.464 1.00 1.22 H new ATOM 0 HE1 TRP A 76 -3.332 -3.591 1.538 1.00 44.03 H new ATOM 0 HE3 TRP A 76 -1.357 1.379 1.920 1.00 51.23 H new ATOM 0 HZ2 TRP A 76 -4.473 -2.068 3.706 1.00 2.34 H new ATOM 0 HZ3 TRP A 76 -2.748 1.873 3.913 1.00 64.33 H new ATOM 0 HH2 TRP A 76 -4.337 0.170 4.776 1.00 42.31 H new ATOM 1077 N GLN A 77 -0.065 1.479 -3.050 1.00 32.32 N ATOM 1078 CA GLN A 77 0.720 2.488 -3.720 1.00 72.13 C ATOM 1079 C GLN A 77 -0.140 3.716 -3.964 1.00 44.42 C ATOM 1080 O GLN A 77 0.196 4.806 -3.503 1.00 60.22 O ATOM 1081 CB GLN A 77 1.223 1.927 -5.046 1.00 2.11 C ATOM 1082 CG GLN A 77 2.023 2.970 -5.830 1.00 33.22 C ATOM 1083 CD GLN A 77 2.591 2.400 -7.115 1.00 15.11 C ATOM 1084 OE1 GLN A 77 2.486 1.216 -7.412 1.00 75.22 O ATOM 1085 NE2 GLN A 77 3.182 3.247 -7.921 1.00 20.14 N ATOM 0 H GLN A 77 -0.118 0.591 -3.549 1.00 32.32 H new ATOM 0 HA GLN A 77 1.572 2.770 -3.102 1.00 72.13 H new ATOM 0 HB2 GLN A 77 1.847 1.053 -4.859 1.00 2.11 H new ATOM 0 HB3 GLN A 77 0.376 1.591 -5.645 1.00 2.11 H new ATOM 0 HG2 GLN A 77 1.381 3.820 -6.063 1.00 33.22 H new ATOM 0 HG3 GLN A 77 2.836 3.345 -5.209 1.00 33.22 H new ATOM 0 HE21 GLN A 77 3.261 4.230 -7.659 1.00 20.14 H new ATOM 0 HE22 GLN A 77 3.563 2.924 -8.810 1.00 20.14 H new ATOM 1092 N ASP A 78 -1.208 3.542 -4.741 1.00 23.35 N ATOM 1093 CA ASP A 78 -1.914 4.667 -5.328 1.00 41.40 C ATOM 1094 C ASP A 78 -2.697 5.436 -4.273 1.00 41.41 C ATOM 1095 O ASP A 78 -2.856 6.645 -4.405 1.00 20.02 O ATOM 1096 CB ASP A 78 -2.839 4.183 -6.446 1.00 62.33 C ATOM 1097 CG ASP A 78 -2.911 5.268 -7.518 1.00 22.41 C ATOM 1098 OD1 ASP A 78 -1.868 5.563 -8.152 1.00 54.33 O ATOM 1099 OD2 ASP A 78 -3.969 5.909 -7.683 1.00 32.43 O ATOM 0 H ASP A 78 -1.599 2.630 -4.976 1.00 23.35 H new ATOM 0 HA ASP A 78 -1.178 5.349 -5.754 1.00 41.40 H new ATOM 0 HB2 ASP A 78 -2.463 3.253 -6.873 1.00 62.33 H new ATOM 0 HB3 ASP A 78 -3.833 3.974 -6.051 1.00 62.33 H new ATOM 1103 N PHE A 79 -3.101 4.770 -3.185 1.00 31.21 N ATOM 1104 CA PHE A 79 -3.579 5.410 -1.963 1.00 2.12 C ATOM 1105 C PHE A 79 -2.551 6.433 -1.471 1.00 60.24 C ATOM 1106 O PHE A 79 -2.890 7.596 -1.253 1.00 40.11 O ATOM 1107 CB PHE A 79 -3.882 4.342 -0.896 1.00 2.42 C ATOM 1108 CG PHE A 79 -4.212 4.908 0.475 1.00 24.33 C ATOM 1109 CD1 PHE A 79 -3.182 5.138 1.410 1.00 51.11 C ATOM 1110 CD2 PHE A 79 -5.539 5.236 0.811 1.00 0.14 C ATOM 1111 CE1 PHE A 79 -3.472 5.734 2.650 1.00 4.11 C ATOM 1112 CE2 PHE A 79 -5.829 5.812 2.061 1.00 33.22 C ATOM 1113 CZ PHE A 79 -4.794 6.081 2.972 1.00 71.12 C ATOM 0 H PHE A 79 -3.103 3.751 -3.133 1.00 31.21 H new ATOM 0 HA PHE A 79 -4.506 5.946 -2.168 1.00 2.12 H new ATOM 0 HB2 PHE A 79 -4.719 3.732 -1.236 1.00 2.42 H new ATOM 0 HB3 PHE A 79 -3.021 3.680 -0.806 1.00 2.42 H new ATOM 0 HD1 PHE A 79 -2.167 4.855 1.173 1.00 51.11 H new ATOM 0 HD2 PHE A 79 -6.336 5.045 0.108 1.00 0.14 H new ATOM 0 HE1 PHE A 79 -2.677 5.925 3.356 1.00 4.11 H new ATOM 0 HE2 PHE A 79 -6.850 6.048 2.321 1.00 33.22 H new ATOM 0 HZ PHE A 79 -5.015 6.554 3.918 1.00 71.12 H new ATOM 1122 N TYR A 80 -1.290 6.023 -1.303 1.00 60.34 N ATOM 1123 CA TYR A 80 -0.257 6.926 -0.821 1.00 20.22 C ATOM 1124 C TYR A 80 0.109 7.989 -1.850 1.00 75.53 C ATOM 1125 O TYR A 80 0.513 9.083 -1.469 1.00 74.24 O ATOM 1126 CB TYR A 80 0.994 6.149 -0.406 1.00 43.21 C ATOM 1127 CG TYR A 80 0.849 5.371 0.882 1.00 60.23 C ATOM 1128 CD1 TYR A 80 0.370 5.998 2.046 1.00 61.21 C ATOM 1129 CD2 TYR A 80 1.175 4.007 0.906 1.00 24.23 C ATOM 1130 CE1 TYR A 80 0.132 5.250 3.205 1.00 52.31 C ATOM 1131 CE2 TYR A 80 0.920 3.237 2.054 1.00 32.15 C ATOM 1132 CZ TYR A 80 0.376 3.863 3.202 1.00 72.42 C ATOM 1133 OH TYR A 80 0.160 3.186 4.357 1.00 13.04 O ATOM 0 H TYR A 80 -0.967 5.075 -1.495 1.00 60.34 H new ATOM 0 HA TYR A 80 -0.668 7.437 0.050 1.00 20.22 H new ATOM 0 HB2 TYR A 80 1.259 5.457 -1.206 1.00 43.21 H new ATOM 0 HB3 TYR A 80 1.823 6.849 -0.302 1.00 43.21 H new ATOM 0 HD1 TYR A 80 0.185 7.062 2.046 1.00 61.21 H new ATOM 0 HD2 TYR A 80 1.624 3.546 0.039 1.00 24.23 H new ATOM 0 HE1 TYR A 80 -0.237 5.734 4.097 1.00 52.31 H new ATOM 0 HE2 TYR A 80 1.137 2.179 2.061 1.00 32.15 H new ATOM 0 HH TYR A 80 0.364 2.237 4.223 1.00 13.04 H new ATOM 1142 N GLU A 81 0.005 7.714 -3.146 1.00 24.45 N ATOM 1143 CA GLU A 81 0.195 8.737 -4.171 1.00 62.41 C ATOM 1144 C GLU A 81 -0.894 9.797 -4.045 1.00 13.12 C ATOM 1145 O GLU A 81 -0.602 10.991 -3.924 1.00 24.24 O ATOM 1146 CB GLU A 81 0.347 8.058 -5.553 1.00 52.13 C ATOM 1147 CG GLU A 81 1.674 7.266 -5.569 1.00 62.31 C ATOM 1148 CD GLU A 81 2.383 7.101 -6.928 1.00 41.30 C ATOM 1149 OE1 GLU A 81 2.795 8.115 -7.523 1.00 53.21 O ATOM 1150 OE2 GLU A 81 2.743 5.960 -7.309 1.00 64.00 O ATOM 0 H GLU A 81 -0.211 6.787 -3.514 1.00 24.45 H new ATOM 0 HA GLU A 81 1.124 9.290 -4.035 1.00 62.41 H new ATOM 0 HB2 GLU A 81 -0.494 7.391 -5.741 1.00 52.13 H new ATOM 0 HB3 GLU A 81 0.344 8.807 -6.345 1.00 52.13 H new ATOM 0 HG2 GLU A 81 2.367 7.755 -4.884 1.00 62.31 H new ATOM 0 HG3 GLU A 81 1.478 6.272 -5.168 1.00 62.31 H new ATOM 1155 N GLN A 82 -2.132 9.348 -3.918 1.00 35.13 N ATOM 1156 CA GLN A 82 -3.318 10.175 -3.732 1.00 41.34 C ATOM 1157 C GLN A 82 -3.389 10.859 -2.363 1.00 22.33 C ATOM 1158 O GLN A 82 -4.266 11.713 -2.192 1.00 15.32 O ATOM 1159 CB GLN A 82 -4.584 9.347 -4.020 1.00 1.12 C ATOM 1160 CG GLN A 82 -4.952 9.144 -5.508 1.00 50.24 C ATOM 1161 CD GLN A 82 -3.845 9.472 -6.514 1.00 21.44 C ATOM 1162 OE1 GLN A 82 -3.565 10.631 -6.809 1.00 3.32 O ATOM 1163 NE2 GLN A 82 -3.210 8.487 -7.103 1.00 23.45 N ATOM 0 H GLN A 82 -2.350 8.352 -3.943 1.00 35.13 H new ATOM 0 HA GLN A 82 -3.250 10.992 -4.450 1.00 41.34 H new ATOM 0 HB2 GLN A 82 -4.461 8.366 -3.562 1.00 1.12 H new ATOM 0 HB3 GLN A 82 -5.426 9.828 -3.523 1.00 1.12 H new ATOM 0 HG2 GLN A 82 -5.252 8.106 -5.651 1.00 50.24 H new ATOM 0 HG3 GLN A 82 -5.821 9.762 -5.736 1.00 50.24 H new ATOM 0 HE21 GLN A 82 -3.435 7.521 -6.865 1.00 23.45 H new ATOM 0 HE22 GLN A 82 -2.491 8.687 -7.799 1.00 23.45 H new ATOM 1170 N GLU A 83 -2.468 10.596 -1.429 1.00 3.42 N ATOM 1171 CA GLU A 83 -2.355 11.339 -0.173 1.00 40.20 C ATOM 1172 C GLU A 83 -1.045 12.136 -0.043 1.00 54.24 C ATOM 1173 O GLU A 83 -0.888 12.842 0.953 1.00 21.53 O ATOM 1174 CB GLU A 83 -2.692 10.454 1.051 1.00 40.00 C ATOM 1175 CG GLU A 83 -1.561 9.572 1.613 1.00 21.25 C ATOM 1176 CD GLU A 83 -1.065 9.967 3.019 1.00 42.34 C ATOM 1177 OE1 GLU A 83 -0.858 11.173 3.294 1.00 61.34 O ATOM 1178 OE2 GLU A 83 -0.782 9.058 3.837 1.00 53.31 O ATOM 0 H GLU A 83 -1.775 9.854 -1.527 1.00 3.42 H new ATOM 0 HA GLU A 83 -3.122 12.113 -0.197 1.00 40.20 H new ATOM 0 HB2 GLU A 83 -3.043 11.104 1.852 1.00 40.00 H new ATOM 0 HB3 GLU A 83 -3.524 9.804 0.780 1.00 40.00 H new ATOM 0 HG2 GLU A 83 -1.907 8.539 1.643 1.00 21.25 H new ATOM 0 HG3 GLU A 83 -0.717 9.606 0.924 1.00 21.25 H new ATOM 1183 N GLN A 84 -0.135 12.100 -1.026 1.00 24.55 N ATOM 1184 CA GLN A 84 1.153 12.797 -0.938 1.00 0.03 C ATOM 1185 C GLN A 84 1.040 14.187 -1.544 1.00 40.14 C ATOM 1186 O GLN A 84 1.251 15.180 -0.859 1.00 44.11 O ATOM 1187 CB GLN A 84 2.301 11.920 -1.477 1.00 4.13 C ATOM 1188 CG GLN A 84 2.713 11.896 -2.961 1.00 21.24 C ATOM 1189 CD GLN A 84 3.528 10.636 -3.315 1.00 20.21 C ATOM 1190 OE1 GLN A 84 3.094 9.475 -2.853 1.00 75.20 O flip ATOM 1191 NE2 GLN A 84 4.544 10.650 -4.006 1.00 33.24 N flip ATOM 0 H GLN A 84 -0.271 11.590 -1.899 1.00 24.55 H new ATOM 0 HA GLN A 84 1.421 12.964 0.105 1.00 0.03 H new ATOM 0 HB2 GLN A 84 3.192 12.196 -0.913 1.00 4.13 H new ATOM 0 HB3 GLN A 84 2.058 10.892 -1.207 1.00 4.13 H new ATOM 0 HG2 GLN A 84 1.821 11.938 -3.585 1.00 21.24 H new ATOM 0 HG3 GLN A 84 3.302 12.784 -3.188 1.00 21.24 H new ATOM 0 HE21 GLN A 84 4.898 11.533 -4.374 1.00 33.24 H new ATOM 0 HE22 GLN A 84 5.033 9.779 -4.212 1.00 33.24 H new ATOM 1198 N GLN A 85 0.619 14.233 -2.803 1.00 72.03 N ATOM 1199 CA GLN A 85 0.491 15.430 -3.643 1.00 10.15 C ATOM 1200 C GLN A 85 -0.252 16.559 -2.916 1.00 11.23 C ATOM 1201 O GLN A 85 0.171 17.712 -2.937 1.00 30.05 O ATOM 1202 CB GLN A 85 -0.251 15.077 -4.944 1.00 31.41 C ATOM 1203 CG GLN A 85 0.376 13.927 -5.746 1.00 54.20 C ATOM 1204 CD GLN A 85 -0.632 13.306 -6.711 1.00 2.53 C ATOM 1205 OE1 GLN A 85 -0.725 13.663 -7.884 1.00 25.15 O ATOM 1206 NE2 GLN A 85 -1.448 12.392 -6.219 1.00 13.25 N ATOM 0 H GLN A 85 0.340 13.387 -3.300 1.00 72.03 H new ATOM 0 HA GLN A 85 1.496 15.784 -3.872 1.00 10.15 H new ATOM 0 HB2 GLN A 85 -1.280 14.813 -4.700 1.00 31.41 H new ATOM 0 HB3 GLN A 85 -0.291 15.964 -5.576 1.00 31.41 H new ATOM 0 HG2 GLN A 85 1.236 14.297 -6.304 1.00 54.20 H new ATOM 0 HG3 GLN A 85 0.745 13.163 -5.062 1.00 54.20 H new ATOM 0 HE21 GLN A 85 -1.362 12.103 -5.245 1.00 13.25 H new ATOM 0 HE22 GLN A 85 -2.164 11.975 -6.813 1.00 13.25 H new ATOM 1213 N ARG A 86 -1.351 16.215 -2.242 1.00 34.25 N ATOM 1214 CA ARG A 86 -2.219 17.131 -1.496 1.00 14.45 C ATOM 1215 C ARG A 86 -1.473 17.917 -0.420 1.00 63.22 C ATOM 1216 O ARG A 86 -1.968 18.957 0.017 1.00 60.11 O ATOM 1217 CB ARG A 86 -3.406 16.366 -0.870 1.00 14.45 C ATOM 1218 CG ARG A 86 -2.937 15.294 0.125 1.00 55.30 C ATOM 1219 CD ARG A 86 -4.038 14.564 0.896 1.00 24.45 C ATOM 1220 NE ARG A 86 -3.408 13.727 1.939 1.00 42.04 N ATOM 1221 CZ ARG A 86 -3.542 13.790 3.266 1.00 13.44 C ATOM 1222 NH1 ARG A 86 -4.371 14.665 3.822 1.00 51.23 N ATOM 1223 NH2 ARG A 86 -2.815 12.990 4.038 1.00 35.32 N ATOM 0 H ARG A 86 -1.675 15.249 -2.199 1.00 34.25 H new ATOM 0 HA ARG A 86 -2.594 17.857 -2.217 1.00 14.45 H new ATOM 0 HB2 ARG A 86 -4.064 17.071 -0.361 1.00 14.45 H new ATOM 0 HB3 ARG A 86 -3.992 15.896 -1.660 1.00 14.45 H new ATOM 0 HG2 ARG A 86 -2.351 14.554 -0.419 1.00 55.30 H new ATOM 0 HG3 ARG A 86 -2.267 15.764 0.845 1.00 55.30 H new ATOM 0 HD2 ARG A 86 -4.722 15.282 1.349 1.00 24.45 H new ATOM 0 HD3 ARG A 86 -4.627 13.945 0.219 1.00 24.45 H new ATOM 0 HE ARG A 86 -2.782 12.998 1.596 1.00 42.04 H new ATOM 0 HH11 ARG A 86 -4.914 15.298 3.234 1.00 51.23 H new ATOM 0 HH12 ARG A 86 -4.465 14.704 4.837 1.00 51.23 H new ATOM 0 HH21 ARG A 86 -2.159 12.332 3.616 1.00 35.32 H new ATOM 0 HH22 ARG A 86 -2.913 13.033 5.052 1.00 35.32 H new ATOM 1234 N ASN A 87 -0.343 17.411 0.071 1.00 44.11 N ATOM 1235 CA ASN A 87 0.458 18.041 1.101 1.00 55.32 C ATOM 1236 C ASN A 87 1.911 17.659 0.880 1.00 63.40 C ATOM 1237 O ASN A 87 2.350 16.608 1.349 1.00 35.24 O ATOM 1238 CB ASN A 87 -0.008 17.701 2.534 1.00 51.42 C ATOM 1239 CG ASN A 87 -0.564 16.300 2.770 1.00 11.22 C ATOM 1240 OD1 ASN A 87 -1.580 16.171 3.451 1.00 4.35 O ATOM 1241 ND2 ASN A 87 0.016 15.258 2.202 1.00 22.52 N ATOM 0 H ASN A 87 0.046 16.525 -0.251 1.00 44.11 H new ATOM 0 HA ASN A 87 0.336 19.121 1.016 1.00 55.32 H new ATOM 0 HB2 ASN A 87 0.836 17.848 3.208 1.00 51.42 H new ATOM 0 HB3 ASN A 87 -0.774 18.422 2.821 1.00 51.42 H new ATOM 0 HD21 ASN A 87 -0.378 14.325 2.324 1.00 22.52 H new ATOM 0 HD22 ASN A 87 0.858 15.386 1.641 1.00 22.52 H new ATOM 1247 N GLU A 88 2.667 18.536 0.215 1.00 63.10 N ATOM 1248 CA GLU A 88 4.060 18.322 -0.198 1.00 63.31 C ATOM 1249 C GLU A 88 4.971 17.833 0.939 1.00 42.33 C ATOM 1250 O GLU A 88 6.021 17.245 0.674 1.00 15.02 O ATOM 1251 CB GLU A 88 4.643 19.647 -0.727 1.00 71.51 C ATOM 1252 CG GLU A 88 4.026 20.142 -2.040 1.00 24.32 C ATOM 1253 CD GLU A 88 4.439 19.277 -3.228 1.00 11.34 C ATOM 1254 OE1 GLU A 88 5.575 19.455 -3.733 1.00 11.12 O ATOM 1255 OE2 GLU A 88 3.603 18.480 -3.709 1.00 65.31 O ATOM 0 H GLU A 88 2.313 19.452 -0.062 1.00 63.10 H new ATOM 0 HA GLU A 88 4.035 17.546 -0.963 1.00 63.31 H new ATOM 0 HB2 GLU A 88 4.509 20.416 0.034 1.00 71.51 H new ATOM 0 HB3 GLU A 88 5.717 19.524 -0.870 1.00 71.51 H new ATOM 0 HG2 GLU A 88 2.940 20.143 -1.952 1.00 24.32 H new ATOM 0 HG3 GLU A 88 4.332 21.173 -2.218 1.00 24.32 H new ATOM 1260 N ASN A 89 4.582 18.097 2.189 1.00 73.24 N ATOM 1261 CA ASN A 89 5.324 17.833 3.413 1.00 1.35 C ATOM 1262 C ASN A 89 5.267 16.373 3.882 1.00 11.31 C ATOM 1263 O ASN A 89 5.777 16.121 4.971 1.00 0.01 O ATOM 1264 CB ASN A 89 4.777 18.701 4.570 1.00 63.42 C ATOM 1265 CG ASN A 89 4.688 20.206 4.369 1.00 53.23 C ATOM 1266 OD1 ASN A 89 3.946 20.874 5.085 1.00 55.43 O ATOM 1267 ND2 ASN A 89 5.405 20.794 3.431 1.00 21.41 N ATOM 0 H ASN A 89 3.678 18.530 2.380 1.00 73.24 H new ATOM 0 HA ASN A 89 6.359 18.073 3.168 1.00 1.35 H new ATOM 0 HB2 ASN A 89 3.778 18.339 4.812 1.00 63.42 H new ATOM 0 HB3 ASN A 89 5.402 18.520 5.444 1.00 63.42 H new ATOM 0 HD21 ASN A 89 5.344 21.804 3.300 1.00 21.41 H new ATOM 0 HD22 ASN A 89 6.021 20.239 2.837 1.00 21.41 H new ATOM 1273 N ASN A 90 4.615 15.438 3.169 1.00 33.52 N ATOM 1274 CA ASN A 90 4.299 14.107 3.718 1.00 41.23 C ATOM 1275 C ASN A 90 5.167 12.992 3.109 1.00 4.34 C ATOM 1276 O ASN A 90 4.717 12.252 2.229 1.00 73.14 O ATOM 1277 CB ASN A 90 2.778 13.818 3.638 1.00 32.12 C ATOM 1278 CG ASN A 90 2.215 13.186 4.910 1.00 11.05 C ATOM 1279 OD1 ASN A 90 2.699 13.437 6.013 1.00 20.35 O ATOM 1280 ND2 ASN A 90 1.171 12.382 4.821 1.00 32.42 N ATOM 0 H ASN A 90 4.296 15.579 2.210 1.00 33.52 H new ATOM 0 HA ASN A 90 4.561 14.117 4.776 1.00 41.23 H new ATOM 0 HB2 ASN A 90 2.248 14.749 3.438 1.00 32.12 H new ATOM 0 HB3 ASN A 90 2.585 13.155 2.795 1.00 32.12 H new ATOM 0 HD21 ASN A 90 0.770 11.972 5.664 1.00 32.42 H new ATOM 0 HD22 ASN A 90 0.766 12.171 3.909 1.00 32.42 H new ATOM 1286 N PRO A 91 6.410 12.798 3.592 1.00 75.40 N ATOM 1287 CA PRO A 91 7.343 11.832 3.033 1.00 64.53 C ATOM 1288 C PRO A 91 6.922 10.395 3.335 1.00 42.14 C ATOM 1289 O PRO A 91 7.354 9.487 2.631 1.00 62.53 O ATOM 1290 CB PRO A 91 8.700 12.136 3.673 1.00 72.14 C ATOM 1291 CG PRO A 91 8.295 12.689 5.032 1.00 74.43 C ATOM 1292 CD PRO A 91 7.041 13.480 4.703 1.00 51.13 C ATOM 0 HA PRO A 91 7.376 11.917 1.947 1.00 64.53 H new ATOM 0 HB2 PRO A 91 9.317 11.242 3.764 1.00 72.14 H new ATOM 0 HB3 PRO A 91 9.272 12.860 3.092 1.00 72.14 H new ATOM 0 HG2 PRO A 91 8.097 11.894 5.751 1.00 74.43 H new ATOM 0 HG3 PRO A 91 9.073 13.321 5.461 1.00 74.43 H new ATOM 0 HD2 PRO A 91 6.372 13.524 5.563 1.00 51.13 H new ATOM 0 HD3 PRO A 91 7.288 14.508 4.438 1.00 51.13 H new ATOM 1297 N THR A 92 6.097 10.176 4.366 1.00 1.24 N ATOM 1298 CA THR A 92 5.681 8.848 4.780 1.00 72.52 C ATOM 1299 C THR A 92 5.008 8.166 3.594 1.00 33.41 C ATOM 1300 O THR A 92 5.556 7.206 3.053 1.00 55.03 O ATOM 1301 CB THR A 92 4.810 8.938 6.043 1.00 55.40 C ATOM 1302 OG1 THR A 92 5.532 9.608 7.060 1.00 20.41 O ATOM 1303 CG2 THR A 92 4.455 7.542 6.558 1.00 13.21 C ATOM 0 H THR A 92 5.702 10.925 4.934 1.00 1.24 H new ATOM 0 HA THR A 92 6.531 8.228 5.064 1.00 72.52 H new ATOM 0 HB THR A 92 3.896 9.477 5.791 1.00 55.40 H new ATOM 0 HG1 THR A 92 4.980 9.669 7.867 1.00 20.41 H new ATOM 0 HG21 THR A 92 3.838 7.630 7.452 1.00 13.21 H new ATOM 0 HG22 THR A 92 3.904 7.000 5.789 1.00 13.21 H new ATOM 0 HG23 THR A 92 5.369 7.000 6.800 1.00 13.21 H new ATOM 1311 N ALA A 93 3.879 8.708 3.139 1.00 52.43 N ATOM 1312 CA ALA A 93 3.190 8.229 1.958 1.00 55.14 C ATOM 1313 C ALA A 93 4.117 8.177 0.749 1.00 64.20 C ATOM 1314 O ALA A 93 4.192 7.158 0.064 1.00 2.02 O ATOM 1315 CB ALA A 93 2.034 9.187 1.680 1.00 1.03 C ATOM 0 H ALA A 93 3.419 9.499 3.589 1.00 52.43 H new ATOM 0 HA ALA A 93 2.831 7.215 2.134 1.00 55.14 H new ATOM 0 HB1 ALA A 93 1.492 8.856 0.794 1.00 1.03 H new ATOM 0 HB2 ALA A 93 1.359 9.200 2.535 1.00 1.03 H new ATOM 0 HB3 ALA A 93 2.425 10.190 1.511 1.00 1.03 H new ATOM 1321 N LYS A 94 4.840 9.269 0.498 1.00 64.14 N ATOM 1322 CA LYS A 94 5.704 9.413 -0.662 1.00 62.43 C ATOM 1323 C LYS A 94 6.593 8.200 -0.882 1.00 42.41 C ATOM 1324 O LYS A 94 6.557 7.608 -1.967 1.00 51.20 O ATOM 1325 CB LYS A 94 6.493 10.706 -0.523 1.00 75.13 C ATOM 1326 CG LYS A 94 7.408 10.926 -1.726 1.00 21.12 C ATOM 1327 CD LYS A 94 7.692 12.414 -1.901 1.00 31.52 C ATOM 1328 CE LYS A 94 8.243 13.072 -0.626 1.00 62.31 C ATOM 1329 NZ LYS A 94 8.883 14.369 -0.897 1.00 13.44 N ATOM 0 H LYS A 94 4.838 10.087 1.107 1.00 64.14 H new ATOM 0 HA LYS A 94 5.090 9.470 -1.561 1.00 62.43 H new ATOM 0 HB2 LYS A 94 5.805 11.546 -0.427 1.00 75.13 H new ATOM 0 HB3 LYS A 94 7.088 10.676 0.390 1.00 75.13 H new ATOM 0 HG2 LYS A 94 8.343 10.383 -1.586 1.00 21.12 H new ATOM 0 HG3 LYS A 94 6.940 10.528 -2.627 1.00 21.12 H new ATOM 0 HD2 LYS A 94 8.408 12.549 -2.712 1.00 31.52 H new ATOM 0 HD3 LYS A 94 6.774 12.921 -2.198 1.00 31.52 H new ATOM 0 HE2 LYS A 94 7.431 13.212 0.087 1.00 62.31 H new ATOM 0 HE3 LYS A 94 8.966 12.404 -0.158 1.00 62.31 H new ATOM 0 HZ1 LYS A 94 9.239 14.773 -0.007 1.00 13.44 H new ATOM 0 HZ2 LYS A 94 9.675 14.234 -1.557 1.00 13.44 H new ATOM 0 HZ3 LYS A 94 8.188 15.018 -1.319 1.00 13.44 H new ATOM 1339 N TYR A 95 7.368 7.835 0.134 1.00 43.40 N ATOM 1340 CA TYR A 95 8.272 6.710 0.040 1.00 1.23 C ATOM 1341 C TYR A 95 7.518 5.378 0.002 1.00 51.04 C ATOM 1342 O TYR A 95 7.911 4.507 -0.774 1.00 43.00 O ATOM 1343 CB TYR A 95 9.267 6.765 1.202 1.00 34.43 C ATOM 1344 CG TYR A 95 10.283 7.887 1.102 1.00 4.42 C ATOM 1345 CD1 TYR A 95 11.144 7.954 -0.010 1.00 42.02 C ATOM 1346 CD2 TYR A 95 10.384 8.854 2.120 1.00 31.53 C ATOM 1347 CE1 TYR A 95 12.083 8.993 -0.119 1.00 22.24 C ATOM 1348 CE2 TYR A 95 11.324 9.894 2.024 1.00 0.15 C ATOM 1349 CZ TYR A 95 12.178 9.966 0.903 1.00 73.13 C ATOM 1350 OH TYR A 95 13.101 10.962 0.825 1.00 24.34 O ATOM 0 H TYR A 95 7.383 8.311 1.036 1.00 43.40 H new ATOM 0 HA TYR A 95 8.821 6.776 -0.899 1.00 1.23 H new ATOM 0 HB2 TYR A 95 8.713 6.874 2.134 1.00 34.43 H new ATOM 0 HB3 TYR A 95 9.797 5.814 1.256 1.00 34.43 H new ATOM 0 HD1 TYR A 95 11.082 7.203 -0.783 1.00 42.02 H new ATOM 0 HD2 TYR A 95 9.734 8.796 2.981 1.00 31.53 H new ATOM 0 HE1 TYR A 95 12.731 9.049 -0.981 1.00 22.24 H new ATOM 0 HE2 TYR A 95 11.393 10.636 2.806 1.00 0.15 H new ATOM 0 HH TYR A 95 13.025 11.541 1.612 1.00 24.34 H new ATOM 1359 N ARG A 96 6.435 5.193 0.778 1.00 54.33 N ATOM 1360 CA ARG A 96 5.624 3.969 0.715 1.00 11.12 C ATOM 1361 C ARG A 96 5.154 3.704 -0.713 1.00 64.13 C ATOM 1362 O ARG A 96 5.278 2.577 -1.188 1.00 72.31 O ATOM 1363 CB ARG A 96 4.401 4.033 1.651 1.00 60.41 C ATOM 1364 CG ARG A 96 4.754 3.993 3.142 1.00 53.33 C ATOM 1365 CD ARG A 96 3.533 3.916 4.066 1.00 63.33 C ATOM 1366 NE ARG A 96 3.908 3.864 5.496 1.00 51.12 N ATOM 1367 CZ ARG A 96 3.156 4.279 6.529 1.00 11.04 C ATOM 1368 NH1 ARG A 96 1.939 4.776 6.322 1.00 32.54 N ATOM 1369 NH2 ARG A 96 3.612 4.211 7.782 1.00 71.13 N ATOM 0 H ARG A 96 6.103 5.878 1.456 1.00 54.33 H new ATOM 0 HA ARG A 96 6.264 3.152 1.048 1.00 11.12 H new ATOM 0 HB2 ARG A 96 3.846 4.948 1.444 1.00 60.41 H new ATOM 0 HB3 ARG A 96 3.738 3.199 1.423 1.00 60.41 H new ATOM 0 HG2 ARG A 96 5.395 3.132 3.331 1.00 53.33 H new ATOM 0 HG3 ARG A 96 5.332 4.882 3.393 1.00 53.33 H new ATOM 0 HD2 ARG A 96 2.895 4.782 3.892 1.00 63.33 H new ATOM 0 HD3 ARG A 96 2.946 3.032 3.815 1.00 63.33 H new ATOM 0 HE ARG A 96 4.825 3.476 5.719 1.00 51.12 H new ATOM 0 HH11 ARG A 96 1.571 4.844 5.373 1.00 32.54 H new ATOM 0 HH12 ARG A 96 1.375 5.089 7.112 1.00 32.54 H new ATOM 0 HH21 ARG A 96 4.544 3.840 7.966 1.00 71.13 H new ATOM 0 HH22 ARG A 96 3.028 4.530 8.555 1.00 71.13 H new ATOM 1380 N ALA A 97 4.640 4.725 -1.400 1.00 61.14 N ATOM 1381 CA ALA A 97 4.227 4.616 -2.787 1.00 22.45 C ATOM 1382 C ALA A 97 5.410 4.211 -3.660 1.00 21.35 C ATOM 1383 O ALA A 97 5.328 3.230 -4.392 1.00 51.31 O ATOM 1384 CB ALA A 97 3.664 5.948 -3.268 1.00 0.31 C ATOM 0 H ALA A 97 4.500 5.653 -1.001 1.00 61.14 H new ATOM 0 HA ALA A 97 3.454 3.851 -2.863 1.00 22.45 H new ATOM 0 HB1 ALA A 97 3.356 5.858 -4.310 1.00 0.31 H new ATOM 0 HB2 ALA A 97 2.803 6.221 -2.658 1.00 0.31 H new ATOM 0 HB3 ALA A 97 4.429 6.719 -3.181 1.00 0.31 H new ATOM 1390 N ARG A 98 6.518 4.953 -3.587 1.00 1.03 N ATOM 1391 CA ARG A 98 7.653 4.730 -4.472 1.00 64.32 C ATOM 1392 C ARG A 98 8.245 3.335 -4.325 1.00 72.43 C ATOM 1393 O ARG A 98 8.706 2.736 -5.295 1.00 12.52 O ATOM 1394 CB ARG A 98 8.703 5.817 -4.200 1.00 72.00 C ATOM 1395 CG ARG A 98 9.172 6.447 -5.508 1.00 3.41 C ATOM 1396 CD ARG A 98 9.506 7.921 -5.303 1.00 0.35 C ATOM 1397 NE ARG A 98 9.649 8.582 -6.607 1.00 61.04 N ATOM 1398 CZ ARG A 98 8.657 8.880 -7.460 1.00 24.05 C ATOM 1399 NH1 ARG A 98 7.384 8.828 -7.086 1.00 14.43 N ATOM 1400 NH2 ARG A 98 8.963 9.228 -8.700 1.00 30.03 N ATOM 0 H ARG A 98 6.649 5.714 -2.921 1.00 1.03 H new ATOM 0 HA ARG A 98 7.309 4.795 -5.504 1.00 64.32 H new ATOM 0 HB2 ARG A 98 8.281 6.584 -3.551 1.00 72.00 H new ATOM 0 HB3 ARG A 98 9.553 5.385 -3.672 1.00 72.00 H new ATOM 0 HG2 ARG A 98 10.050 5.918 -5.879 1.00 3.41 H new ATOM 0 HG3 ARG A 98 8.395 6.346 -6.266 1.00 3.41 H new ATOM 0 HD2 ARG A 98 8.720 8.405 -4.723 1.00 0.35 H new ATOM 0 HD3 ARG A 98 10.429 8.019 -4.732 1.00 0.35 H new ATOM 0 HE ARG A 98 10.594 8.839 -6.892 1.00 61.04 H new ATOM 0 HH11 ARG A 98 7.143 8.557 -6.133 1.00 14.43 H new ATOM 0 HH12 ARG A 98 6.647 9.059 -7.752 1.00 14.43 H new ATOM 0 HH21 ARG A 98 9.939 9.266 -8.993 1.00 30.03 H new ATOM 0 HH22 ARG A 98 8.222 9.458 -9.363 1.00 30.03 H new ATOM 1411 N LEU A 99 8.227 2.818 -3.101 1.00 53.14 N ATOM 1412 CA LEU A 99 8.607 1.459 -2.783 1.00 42.00 C ATOM 1413 C LEU A 99 7.676 0.488 -3.501 1.00 62.43 C ATOM 1414 O LEU A 99 8.152 -0.343 -4.269 1.00 42.51 O ATOM 1415 CB LEU A 99 8.603 1.338 -1.258 1.00 63.44 C ATOM 1416 CG LEU A 99 8.870 -0.053 -0.673 1.00 63.14 C ATOM 1417 CD1 LEU A 99 10.001 -0.826 -1.350 1.00 12.23 C ATOM 1418 CD2 LEU A 99 9.237 0.177 0.793 1.00 21.24 C ATOM 0 H LEU A 99 7.938 3.355 -2.283 1.00 53.14 H new ATOM 0 HA LEU A 99 9.607 1.204 -3.133 1.00 42.00 H new ATOM 0 HB2 LEU A 99 9.353 2.023 -0.861 1.00 63.44 H new ATOM 0 HB3 LEU A 99 7.634 1.680 -0.893 1.00 63.44 H new ATOM 0 HG LEU A 99 7.979 -0.663 -0.821 1.00 63.14 H new ATOM 0 HD11 LEU A 99 10.117 -1.797 -0.869 1.00 12.23 H new ATOM 0 HD12 LEU A 99 9.764 -0.969 -2.404 1.00 12.23 H new ATOM 0 HD13 LEU A 99 10.931 -0.264 -1.260 1.00 12.23 H new ATOM 0 HD21 LEU A 99 9.441 -0.781 1.272 1.00 21.24 H new ATOM 0 HD22 LEU A 99 10.124 0.808 0.851 1.00 21.24 H new ATOM 0 HD23 LEU A 99 8.408 0.668 1.303 1.00 21.24 H new ATOM 1429 N MET A 100 6.362 0.628 -3.309 1.00 23.25 N ATOM 1430 CA MET A 100 5.364 -0.185 -3.999 1.00 40.12 C ATOM 1431 C MET A 100 5.537 -0.141 -5.531 1.00 54.22 C ATOM 1432 O MET A 100 5.438 -1.186 -6.166 1.00 52.11 O ATOM 1433 CB MET A 100 3.950 0.245 -3.625 1.00 12.32 C ATOM 1434 CG MET A 100 3.565 -0.094 -2.189 1.00 51.11 C ATOM 1435 SD MET A 100 3.376 -1.870 -1.932 1.00 33.31 S ATOM 1436 CE MET A 100 3.131 -1.885 -0.164 1.00 15.30 C ATOM 0 H MET A 100 5.961 1.312 -2.667 1.00 23.25 H new ATOM 0 HA MET A 100 5.520 -1.213 -3.672 1.00 40.12 H new ATOM 0 HB2 MET A 100 3.856 1.321 -3.772 1.00 12.32 H new ATOM 0 HB3 MET A 100 3.243 -0.233 -4.304 1.00 12.32 H new ATOM 0 HG2 MET A 100 4.327 0.290 -1.511 1.00 51.11 H new ATOM 0 HG3 MET A 100 2.631 0.409 -1.937 1.00 51.11 H new ATOM 0 HE1 MET A 100 2.995 -2.912 0.176 1.00 15.30 H new ATOM 0 HE2 MET A 100 4.002 -1.452 0.328 1.00 15.30 H new ATOM 0 HE3 MET A 100 2.246 -1.300 0.086 1.00 15.30 H new ATOM 1444 N LYS A 101 5.841 1.024 -6.129 1.00 11.13 N ATOM 1445 CA LYS A 101 6.117 1.149 -7.568 1.00 11.23 C ATOM 1446 C LYS A 101 7.221 0.175 -7.958 1.00 40.50 C ATOM 1447 O LYS A 101 7.009 -0.692 -8.793 1.00 22.41 O ATOM 1448 CB LYS A 101 6.524 2.590 -7.942 1.00 63.24 C ATOM 1449 CG LYS A 101 6.727 2.810 -9.458 1.00 63.24 C ATOM 1450 CD LYS A 101 5.448 3.261 -10.167 1.00 45.32 C ATOM 1451 CE LYS A 101 5.751 3.767 -11.579 1.00 34.23 C ATOM 1452 NZ LYS A 101 4.585 4.457 -12.175 1.00 21.42 N ATOM 0 H LYS A 101 5.902 1.908 -5.624 1.00 11.13 H new ATOM 0 HA LYS A 101 5.205 0.911 -8.115 1.00 11.23 H new ATOM 0 HB2 LYS A 101 5.758 3.278 -7.584 1.00 63.24 H new ATOM 0 HB3 LYS A 101 7.448 2.843 -7.421 1.00 63.24 H new ATOM 0 HG2 LYS A 101 7.505 3.558 -9.611 1.00 63.24 H new ATOM 0 HG3 LYS A 101 7.081 1.884 -9.911 1.00 63.24 H new ATOM 0 HD2 LYS A 101 4.744 2.430 -10.218 1.00 45.32 H new ATOM 0 HD3 LYS A 101 4.967 4.051 -9.590 1.00 45.32 H new ATOM 0 HE2 LYS A 101 6.600 4.449 -11.547 1.00 34.23 H new ATOM 0 HE3 LYS A 101 6.040 2.928 -12.212 1.00 34.23 H new ATOM 0 HZ1 LYS A 101 4.828 4.786 -13.131 1.00 21.42 H new ATOM 0 HZ2 LYS A 101 3.782 3.798 -12.229 1.00 21.42 H new ATOM 0 HZ3 LYS A 101 4.325 5.272 -11.584 1.00 21.42 H new ATOM 1462 N LYS A 102 8.399 0.326 -7.349 1.00 55.13 N ATOM 1463 CA LYS A 102 9.566 -0.503 -7.653 1.00 62.12 C ATOM 1464 C LYS A 102 9.252 -1.987 -7.452 1.00 32.01 C ATOM 1465 O LYS A 102 9.673 -2.801 -8.266 1.00 43.50 O ATOM 1466 CB LYS A 102 10.777 -0.069 -6.815 1.00 31.13 C ATOM 1467 CG LYS A 102 12.050 0.058 -7.669 1.00 12.52 C ATOM 1468 CD LYS A 102 13.203 0.696 -6.875 1.00 11.45 C ATOM 1469 CE LYS A 102 14.568 0.447 -7.535 1.00 52.30 C ATOM 1470 NZ LYS A 102 14.919 1.446 -8.563 1.00 11.23 N ATOM 0 H LYS A 102 8.570 1.028 -6.630 1.00 55.13 H new ATOM 0 HA LYS A 102 9.820 -0.360 -8.703 1.00 62.12 H new ATOM 0 HB2 LYS A 102 10.564 0.887 -6.337 1.00 31.13 H new ATOM 0 HB3 LYS A 102 10.945 -0.793 -6.018 1.00 31.13 H new ATOM 0 HG2 LYS A 102 12.352 -0.928 -8.022 1.00 12.52 H new ATOM 0 HG3 LYS A 102 11.838 0.661 -8.552 1.00 12.52 H new ATOM 0 HD2 LYS A 102 13.033 1.769 -6.789 1.00 11.45 H new ATOM 0 HD3 LYS A 102 13.212 0.293 -5.862 1.00 11.45 H new ATOM 0 HE2 LYS A 102 15.339 0.444 -6.765 1.00 52.30 H new ATOM 0 HE3 LYS A 102 14.567 -0.544 -7.989 1.00 52.30 H new ATOM 0 HZ1 LYS A 102 15.850 1.217 -8.966 1.00 11.23 H new ATOM 0 HZ2 LYS A 102 14.203 1.434 -9.317 1.00 11.23 H new ATOM 0 HZ3 LYS A 102 14.951 2.392 -8.131 1.00 11.23 H new ATOM 1480 N ILE A 103 8.503 -2.338 -6.401 1.00 42.23 N ATOM 1481 CA ILE A 103 8.047 -3.702 -6.152 1.00 74.00 C ATOM 1482 C ILE A 103 7.267 -4.199 -7.370 1.00 32.12 C ATOM 1483 O ILE A 103 7.617 -5.232 -7.937 1.00 73.32 O ATOM 1484 CB ILE A 103 7.220 -3.755 -4.843 1.00 51.22 C ATOM 1485 CG1 ILE A 103 8.160 -3.641 -3.633 1.00 22.14 C ATOM 1486 CG2 ILE A 103 6.389 -5.043 -4.708 1.00 40.33 C ATOM 1487 CD1 ILE A 103 7.472 -3.168 -2.356 1.00 42.41 C ATOM 0 H ILE A 103 8.195 -1.672 -5.693 1.00 42.23 H new ATOM 0 HA ILE A 103 8.896 -4.370 -6.010 1.00 74.00 H new ATOM 0 HB ILE A 103 6.524 -2.917 -4.878 1.00 51.22 H new ATOM 0 HG12 ILE A 103 8.618 -4.613 -3.448 1.00 22.14 H new ATOM 0 HG13 ILE A 103 8.967 -2.950 -3.876 1.00 22.14 H new ATOM 0 HG21 ILE A 103 5.832 -5.020 -3.771 1.00 40.33 H new ATOM 0 HG22 ILE A 103 5.692 -5.115 -5.543 1.00 40.33 H new ATOM 0 HG23 ILE A 103 7.053 -5.907 -4.714 1.00 40.33 H new ATOM 0 HD11 ILE A 103 8.202 -3.113 -1.548 1.00 42.41 H new ATOM 0 HD12 ILE A 103 7.038 -2.182 -2.520 1.00 42.41 H new ATOM 0 HD13 ILE A 103 6.684 -3.871 -2.086 1.00 42.41 H new ATOM 1498 N ALA A 104 6.228 -3.468 -7.779 1.00 75.32 N ATOM 1499 CA ALA A 104 5.406 -3.813 -8.929 1.00 15.50 C ATOM 1500 C ALA A 104 6.226 -3.860 -10.223 1.00 42.45 C ATOM 1501 O ALA A 104 5.810 -4.492 -11.190 1.00 20.33 O ATOM 1502 CB ALA A 104 4.268 -2.790 -9.055 1.00 4.14 C ATOM 0 H ALA A 104 5.934 -2.610 -7.312 1.00 75.32 H new ATOM 0 HA ALA A 104 4.996 -4.811 -8.773 1.00 15.50 H new ATOM 0 HB1 ALA A 104 3.647 -3.041 -9.915 1.00 4.14 H new ATOM 0 HB2 ALA A 104 3.660 -2.809 -8.150 1.00 4.14 H new ATOM 0 HB3 ALA A 104 4.688 -1.793 -9.190 1.00 4.14 H new ATOM 1508 N ASP A 105 7.385 -3.206 -10.269 1.00 74.21 N ATOM 1509 CA ASP A 105 8.239 -3.122 -11.450 1.00 52.41 C ATOM 1510 C ASP A 105 9.041 -4.406 -11.642 1.00 54.13 C ATOM 1511 O ASP A 105 9.496 -4.701 -12.749 1.00 21.20 O ATOM 1512 CB ASP A 105 9.213 -1.941 -11.309 1.00 24.03 C ATOM 1513 CG ASP A 105 9.289 -1.148 -12.608 1.00 51.50 C ATOM 1514 OD1 ASP A 105 10.087 -1.515 -13.505 1.00 1.35 O ATOM 1515 OD2 ASP A 105 8.605 -0.104 -12.703 1.00 65.00 O ATOM 0 H ASP A 105 7.765 -2.707 -9.465 1.00 74.21 H new ATOM 0 HA ASP A 105 7.596 -2.976 -12.318 1.00 52.41 H new ATOM 0 HB2 ASP A 105 8.888 -1.290 -10.498 1.00 24.03 H new ATOM 0 HB3 ASP A 105 10.204 -2.310 -11.044 1.00 24.03 H new ATOM 1519 N LEU A 106 9.237 -5.156 -10.556 1.00 12.33 N ATOM 1520 CA LEU A 106 10.106 -6.319 -10.412 1.00 24.23 C ATOM 1521 C LEU A 106 9.273 -7.546 -10.026 1.00 63.13 C ATOM 1522 O LEU A 106 9.793 -8.493 -9.425 1.00 55.31 O ATOM 1523 CB LEU A 106 11.182 -5.998 -9.353 1.00 51.35 C ATOM 1524 CG LEU A 106 12.192 -4.901 -9.727 1.00 12.42 C ATOM 1525 CD1 LEU A 106 12.794 -4.289 -8.458 1.00 3.22 C ATOM 1526 CD2 LEU A 106 13.325 -5.481 -10.582 1.00 14.22 C ATOM 0 H LEU A 106 8.751 -4.946 -9.684 1.00 12.33 H new ATOM 0 HA LEU A 106 10.603 -6.549 -11.355 1.00 24.23 H new ATOM 0 HB2 LEU A 106 10.680 -5.702 -8.432 1.00 51.35 H new ATOM 0 HB3 LEU A 106 11.734 -6.913 -9.136 1.00 51.35 H new ATOM 0 HG LEU A 106 11.666 -4.134 -10.296 1.00 12.42 H new ATOM 0 HD11 LEU A 106 13.508 -3.513 -8.732 1.00 3.22 H new ATOM 0 HD12 LEU A 106 12.000 -3.853 -7.852 1.00 3.22 H new ATOM 0 HD13 LEU A 106 13.303 -5.065 -7.886 1.00 3.22 H new ATOM 0 HD21 LEU A 106 14.030 -4.690 -10.837 1.00 14.22 H new ATOM 0 HD22 LEU A 106 13.841 -6.260 -10.022 1.00 14.22 H new ATOM 0 HD23 LEU A 106 12.910 -5.906 -11.496 1.00 14.22 H new ATOM 1537 N TRP A 107 7.969 -7.499 -10.312 1.00 3.53 N ATOM 1538 CA TRP A 107 7.022 -8.514 -9.891 1.00 72.03 C ATOM 1539 C TRP A 107 7.234 -9.837 -10.623 1.00 74.15 C ATOM 1540 O TRP A 107 6.446 -10.773 -10.393 1.00 1.53 O ATOM 1541 CB TRP A 107 5.586 -7.979 -10.013 1.00 31.44 C ATOM 1542 CG TRP A 107 4.589 -8.721 -9.177 1.00 0.11 C ATOM 1543 CD1 TRP A 107 3.674 -9.603 -9.632 1.00 54.53 C ATOM 1544 CD2 TRP A 107 4.400 -8.669 -7.734 1.00 0.24 C ATOM 1545 NE1 TRP A 107 3.003 -10.173 -8.573 1.00 44.43 N ATOM 1546 CE2 TRP A 107 3.387 -9.607 -7.377 1.00 23.14 C ATOM 1547 CE3 TRP A 107 4.981 -7.916 -6.692 1.00 64.01 C ATOM 1548 CZ2 TRP A 107 2.969 -9.787 -6.052 1.00 23.03 C ATOM 1549 CZ3 TRP A 107 4.576 -8.103 -5.354 1.00 61.01 C ATOM 1550 CH2 TRP A 107 3.553 -9.015 -5.035 1.00 72.03 C ATOM 0 H TRP A 107 7.544 -6.743 -10.849 1.00 3.53 H new ATOM 0 HA TRP A 107 7.198 -8.739 -8.839 1.00 72.03 H new ATOM 0 HB2 TRP A 107 5.575 -6.927 -9.726 1.00 31.44 H new ATOM 0 HB3 TRP A 107 5.278 -8.028 -11.057 1.00 31.44 H new ATOM 0 HD1 TRP A 107 3.495 -9.828 -10.673 1.00 54.53 H new ATOM 0 HE1 TRP A 107 2.312 -10.918 -8.662 1.00 44.43 H new ATOM 0 HE3 TRP A 107 5.745 -7.188 -6.922 1.00 64.01 H new ATOM 0 HZ2 TRP A 107 2.205 -10.513 -5.815 1.00 23.03 H new ATOM 0 HZ3 TRP A 107 5.056 -7.541 -4.567 1.00 61.01 H new ATOM 0 HH2 TRP A 107 3.219 -9.121 -4.013 1.00 72.03 H new