USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 575 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 59 LYS NZ :NH3+ 159:sc= 1.08 (180deg=0) USER MOD Set 1.2: A 64 GLN : amide:sc= 0.887 K(o=2,f=-3) USER MOD Set 2.1: A 32 ASN : amide:sc= -0.243 K(o=1,f=-7.2!) USER MOD Set 2.2: A 98 LYS NZ :NH3+ -115:sc= 1.27 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.6!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -179:sc= -1.69 (180deg=-1.7) USER MOD Single : A 39 SER OG : rot -77:sc= 0.677 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0838 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.728 K(o=0.73,f=-2.2) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.43 X(o=-0.43,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0222 USER MOD Single : A 66 ASN : amide:sc= 1.34 K(o=1.3,f=-0.76) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00808 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc=-0.000702 X(o=-0.0007,f=-0.48) USER MOD Single : A 90 HIS : no HD1:sc= -0.331 X(o=-0.33,f=0.0016) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.556 K(o=0.56,f=-4.8!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 280 N ASP A 24 -3.591 10.410 5.574 1.00 44.24 N ATOM 281 CA ASP A 24 -3.048 9.517 6.593 1.00 42.41 C ATOM 282 C ASP A 24 -2.557 8.306 5.814 1.00 12.34 C ATOM 283 O ASP A 24 -3.370 7.561 5.263 1.00 10.13 O ATOM 284 CB ASP A 24 -4.086 9.160 7.671 1.00 5.14 C ATOM 285 CG ASP A 24 -4.380 10.258 8.704 1.00 52.25 C ATOM 286 OD1 ASP A 24 -4.433 11.465 8.366 1.00 14.13 O ATOM 287 OD2 ASP A 24 -4.532 9.960 9.906 1.00 21.33 O ATOM 0 HA ASP A 24 -2.241 9.981 7.161 1.00 42.41 H new ATOM 0 HB2 ASP A 24 -5.020 8.894 7.176 1.00 5.14 H new ATOM 0 HB3 ASP A 24 -3.742 8.272 8.201 1.00 5.14 H new ATOM 291 N THR A 25 -1.241 8.169 5.683 1.00 72.35 N ATOM 292 CA THR A 25 -0.606 7.292 4.705 1.00 52.45 C ATOM 293 C THR A 25 0.464 6.468 5.417 1.00 31.12 C ATOM 294 O THR A 25 1.058 6.937 6.392 1.00 52.11 O ATOM 295 CB THR A 25 0.011 8.161 3.593 1.00 60.03 C ATOM 296 OG1 THR A 25 -0.821 9.249 3.228 1.00 20.44 O ATOM 297 CG2 THR A 25 0.276 7.345 2.327 1.00 14.33 C ATOM 0 H THR A 25 -0.573 8.674 6.265 1.00 72.35 H new ATOM 0 HA THR A 25 -1.330 6.613 4.255 1.00 52.45 H new ATOM 0 HB THR A 25 0.944 8.540 4.010 1.00 60.03 H new ATOM 0 HG1 THR A 25 -0.386 9.771 2.522 1.00 20.44 H new ATOM 0 HG21 THR A 25 0.711 7.989 1.563 1.00 14.33 H new ATOM 0 HG22 THR A 25 0.968 6.534 2.555 1.00 14.33 H new ATOM 0 HG23 THR A 25 -0.662 6.929 1.959 1.00 14.33 H new ATOM 305 N ILE A 26 0.735 5.259 4.921 1.00 64.12 N ATOM 306 CA ILE A 26 1.742 4.364 5.479 1.00 73.41 C ATOM 307 C ILE A 26 2.815 4.144 4.407 1.00 72.45 C ATOM 308 O ILE A 26 2.531 4.162 3.205 1.00 22.41 O ATOM 309 CB ILE A 26 1.051 3.078 5.985 1.00 72.22 C ATOM 310 CG1 ILE A 26 0.108 3.390 7.170 1.00 63.12 C ATOM 311 CG2 ILE A 26 2.048 1.981 6.402 1.00 72.03 C ATOM 312 CD1 ILE A 26 -1.023 2.362 7.258 1.00 24.13 C ATOM 0 H ILE A 26 0.253 4.872 4.110 1.00 64.12 H new ATOM 0 HA ILE A 26 2.247 4.782 6.350 1.00 73.41 H new ATOM 0 HB ILE A 26 0.475 2.696 5.142 1.00 72.22 H new ATOM 0 HG12 ILE A 26 0.676 3.391 8.100 1.00 63.12 H new ATOM 0 HG13 ILE A 26 -0.312 4.389 7.052 1.00 63.12 H new ATOM 0 HG21 ILE A 26 1.501 1.104 6.748 1.00 72.03 H new ATOM 0 HG22 ILE A 26 2.667 1.708 5.548 1.00 72.03 H new ATOM 0 HG23 ILE A 26 2.683 2.353 7.206 1.00 72.03 H new ATOM 0 HD11 ILE A 26 -1.671 2.605 8.100 1.00 24.13 H new ATOM 0 HD12 ILE A 26 -1.604 2.380 6.336 1.00 24.13 H new ATOM 0 HD13 ILE A 26 -0.600 1.367 7.401 1.00 24.13 H new ATOM 323 N ILE A 27 4.049 3.940 4.856 1.00 33.42 N ATOM 324 CA ILE A 27 5.257 3.771 4.057 1.00 52.12 C ATOM 325 C ILE A 27 5.973 2.543 4.599 1.00 22.03 C ATOM 326 O ILE A 27 5.867 2.213 5.786 1.00 23.30 O ATOM 327 CB ILE A 27 6.142 5.050 4.104 1.00 75.24 C ATOM 328 CG1 ILE A 27 7.059 5.223 2.874 1.00 34.12 C ATOM 329 CG2 ILE A 27 7.081 5.143 5.320 1.00 33.11 C ATOM 330 CD1 ILE A 27 6.281 5.834 1.717 1.00 32.33 C ATOM 0 H ILE A 27 4.244 3.885 5.856 1.00 33.42 H new ATOM 0 HA ILE A 27 5.019 3.624 3.004 1.00 52.12 H new ATOM 0 HB ILE A 27 5.380 5.829 4.148 1.00 75.24 H new ATOM 0 HG12 ILE A 27 7.905 5.861 3.129 1.00 34.12 H new ATOM 0 HG13 ILE A 27 7.467 4.257 2.577 1.00 34.12 H new ATOM 0 HG21 ILE A 27 7.657 6.067 5.265 1.00 33.11 H new ATOM 0 HG22 ILE A 27 6.491 5.137 6.237 1.00 33.11 H new ATOM 0 HG23 ILE A 27 7.761 4.291 5.320 1.00 33.11 H new ATOM 0 HD11 ILE A 27 6.940 5.950 0.857 1.00 32.33 H new ATOM 0 HD12 ILE A 27 5.450 5.180 1.452 1.00 32.33 H new ATOM 0 HD13 ILE A 27 5.895 6.810 2.013 1.00 32.33 H new ATOM 341 N LEU A 28 6.732 1.876 3.744 1.00 55.23 N ATOM 342 CA LEU A 28 7.467 0.661 4.059 1.00 31.23 C ATOM 343 C LEU A 28 8.937 0.998 3.865 1.00 23.41 C ATOM 344 O LEU A 28 9.268 1.645 2.867 1.00 12.52 O ATOM 345 CB LEU A 28 7.005 -0.444 3.098 1.00 35.44 C ATOM 346 CG LEU A 28 5.509 -0.811 3.256 1.00 65.22 C ATOM 347 CD1 LEU A 28 4.857 -0.958 1.879 1.00 62.24 C ATOM 348 CD2 LEU A 28 5.344 -2.103 4.054 1.00 23.10 C ATOM 0 H LEU A 28 6.858 2.176 2.777 1.00 55.23 H new ATOM 0 HA LEU A 28 7.299 0.307 5.076 1.00 31.23 H new ATOM 0 HB2 LEU A 28 7.186 -0.122 2.072 1.00 35.44 H new ATOM 0 HB3 LEU A 28 7.610 -1.336 3.264 1.00 35.44 H new ATOM 0 HG LEU A 28 5.016 -0.007 3.803 1.00 65.22 H new ATOM 0 HD11 LEU A 28 3.805 -1.216 2.000 1.00 62.24 H new ATOM 0 HD12 LEU A 28 4.939 -0.017 1.335 1.00 62.24 H new ATOM 0 HD13 LEU A 28 5.362 -1.746 1.320 1.00 62.24 H new ATOM 0 HD21 LEU A 28 4.284 -2.338 4.150 1.00 23.10 H new ATOM 0 HD22 LEU A 28 5.851 -2.918 3.537 1.00 23.10 H new ATOM 0 HD23 LEU A 28 5.779 -1.976 5.045 1.00 23.10 H new ATOM 359 N ARG A 29 9.821 0.558 4.765 1.00 72.25 N ATOM 360 CA ARG A 29 11.264 0.808 4.671 1.00 4.22 C ATOM 361 C ARG A 29 12.050 -0.497 4.751 1.00 0.52 C ATOM 362 O ARG A 29 11.521 -1.510 5.208 1.00 43.54 O ATOM 363 CB ARG A 29 11.721 1.779 5.776 1.00 4.41 C ATOM 364 CG ARG A 29 11.063 3.160 5.655 1.00 21.23 C ATOM 365 CD ARG A 29 11.768 4.173 6.563 1.00 4.30 C ATOM 366 NE ARG A 29 10.959 5.362 6.837 1.00 71.34 N ATOM 367 CZ ARG A 29 10.668 6.413 6.066 1.00 43.34 C ATOM 368 NH1 ARG A 29 11.151 6.541 4.834 1.00 4.13 N ATOM 369 NH2 ARG A 29 9.876 7.356 6.556 1.00 41.03 N ATOM 0 H ARG A 29 9.554 0.014 5.586 1.00 72.25 H new ATOM 0 HA ARG A 29 11.463 1.267 3.703 1.00 4.22 H new ATOM 0 HB2 ARG A 29 11.485 1.352 6.751 1.00 4.41 H new ATOM 0 HB3 ARG A 29 12.804 1.891 5.731 1.00 4.41 H new ATOM 0 HG2 ARG A 29 11.105 3.500 4.620 1.00 21.23 H new ATOM 0 HG3 ARG A 29 10.009 3.092 5.926 1.00 21.23 H new ATOM 0 HD2 ARG A 29 12.023 3.690 7.506 1.00 4.30 H new ATOM 0 HD3 ARG A 29 12.705 4.478 6.097 1.00 4.30 H new ATOM 0 HE ARG A 29 10.550 5.393 7.771 1.00 71.34 H new ATOM 0 HH11 ARG A 29 11.765 5.823 4.450 1.00 4.13 H new ATOM 0 HH12 ARG A 29 10.908 7.357 4.273 1.00 4.13 H new ATOM 0 HH21 ARG A 29 9.504 7.269 7.502 1.00 41.03 H new ATOM 0 HH22 ARG A 29 9.639 8.169 5.987 1.00 41.03 H new ATOM 380 N ASN A 30 13.310 -0.443 4.311 1.00 44.21 N ATOM 381 CA ASN A 30 14.322 -1.512 4.294 1.00 53.31 C ATOM 382 C ASN A 30 14.020 -2.596 3.258 1.00 55.52 C ATOM 383 O ASN A 30 14.518 -3.716 3.341 1.00 41.23 O ATOM 384 CB ASN A 30 14.519 -2.121 5.685 1.00 74.33 C ATOM 385 CG ASN A 30 15.785 -2.975 5.779 1.00 15.42 C ATOM 386 OD1 ASN A 30 16.857 -2.554 5.349 1.00 31.11 O ATOM 387 ND2 ASN A 30 15.699 -4.167 6.347 1.00 23.34 N ATOM 0 H ASN A 30 13.684 0.423 3.923 1.00 44.21 H new ATOM 0 HA ASN A 30 15.258 -1.041 3.994 1.00 53.31 H new ATOM 0 HB2 ASN A 30 14.569 -1.321 6.424 1.00 74.33 H new ATOM 0 HB3 ASN A 30 13.653 -2.733 5.936 1.00 74.33 H new ATOM 0 HD21 ASN A 30 16.530 -4.752 6.433 1.00 23.34 H new ATOM 0 HD22 ASN A 30 14.802 -4.501 6.698 1.00 23.34 H new ATOM 393 N LEU A 31 13.186 -2.277 2.272 1.00 35.23 N ATOM 394 CA LEU A 31 12.886 -3.179 1.172 1.00 60.13 C ATOM 395 C LEU A 31 14.106 -3.251 0.273 1.00 43.42 C ATOM 396 O LEU A 31 15.103 -2.541 0.467 1.00 1.33 O ATOM 397 CB LEU A 31 11.682 -2.721 0.326 1.00 35.04 C ATOM 398 CG LEU A 31 10.381 -2.579 1.115 1.00 0.23 C ATOM 399 CD1 LEU A 31 10.419 -1.330 1.961 1.00 35.22 C ATOM 400 CD2 LEU A 31 9.152 -2.482 0.221 1.00 53.54 C ATOM 0 H LEU A 31 12.700 -1.382 2.216 1.00 35.23 H new ATOM 0 HA LEU A 31 12.631 -4.148 1.601 1.00 60.13 H new ATOM 0 HB2 LEU A 31 11.920 -1.763 -0.136 1.00 35.04 H new ATOM 0 HB3 LEU A 31 11.527 -3.435 -0.483 1.00 35.04 H new ATOM 0 HG LEU A 31 10.303 -3.478 1.726 1.00 0.23 H new ATOM 0 HD11 LEU A 31 9.487 -1.240 2.518 1.00 35.22 H new ATOM 0 HD12 LEU A 31 11.255 -1.388 2.658 1.00 35.22 H new ATOM 0 HD13 LEU A 31 10.543 -0.459 1.318 1.00 35.22 H new ATOM 0 HD21 LEU A 31 8.260 -2.383 0.839 1.00 53.54 H new ATOM 0 HD22 LEU A 31 9.242 -1.611 -0.428 1.00 53.54 H new ATOM 0 HD23 LEU A 31 9.073 -3.382 -0.388 1.00 53.54 H new ATOM 411 N ASN A 32 13.991 -4.044 -0.784 1.00 54.51 N ATOM 412 CA ASN A 32 15.071 -4.178 -1.754 1.00 61.15 C ATOM 413 C ASN A 32 14.573 -4.111 -3.190 1.00 41.13 C ATOM 414 O ASN A 32 13.366 -4.264 -3.416 1.00 44.11 O ATOM 415 CB ASN A 32 15.873 -5.451 -1.436 1.00 4.13 C ATOM 416 CG ASN A 32 17.327 -5.148 -1.099 1.00 13.13 C ATOM 417 OD1 ASN A 32 17.717 -4.015 -0.820 1.00 51.52 O ATOM 418 ND2 ASN A 32 18.156 -6.158 -1.074 1.00 24.04 N ATOM 0 H ASN A 32 13.163 -4.603 -0.992 1.00 54.51 H new ATOM 0 HA ASN A 32 15.745 -3.326 -1.666 1.00 61.15 H new ATOM 0 HB2 ASN A 32 15.409 -5.971 -0.598 1.00 4.13 H new ATOM 0 HB3 ASN A 32 15.833 -6.126 -2.291 1.00 4.13 H new ATOM 0 HD21 ASN A 32 19.133 -6.010 -0.822 1.00 24.04 H new ATOM 0 HD22 ASN A 32 17.826 -7.095 -1.306 1.00 24.04 H new ATOM 424 N PRO A 33 15.458 -3.873 -4.176 1.00 55.20 N ATOM 425 CA PRO A 33 15.012 -3.559 -5.519 1.00 35.42 C ATOM 426 C PRO A 33 14.353 -4.733 -6.222 1.00 4.32 C ATOM 427 O PRO A 33 13.529 -4.507 -7.104 1.00 53.33 O ATOM 428 CB PRO A 33 16.238 -3.111 -6.295 1.00 31.42 C ATOM 429 CG PRO A 33 17.413 -3.685 -5.533 1.00 31.34 C ATOM 430 CD PRO A 33 16.907 -3.730 -4.091 1.00 73.32 C ATOM 0 HA PRO A 33 14.250 -2.782 -5.466 1.00 35.42 H new ATOM 0 HB2 PRO A 33 16.213 -3.481 -7.320 1.00 31.42 H new ATOM 0 HB3 PRO A 33 16.296 -2.024 -6.349 1.00 31.42 H new ATOM 0 HG2 PRO A 33 17.682 -4.677 -5.896 1.00 31.34 H new ATOM 0 HG3 PRO A 33 18.300 -3.059 -5.629 1.00 31.34 H new ATOM 0 HD2 PRO A 33 17.350 -4.565 -3.548 1.00 73.32 H new ATOM 0 HD3 PRO A 33 17.178 -2.821 -3.554 1.00 73.32 H new ATOM 435 N HIS A 34 14.700 -5.958 -5.832 1.00 4.35 N ATOM 436 CA HIS A 34 14.082 -7.162 -6.351 1.00 41.11 C ATOM 437 C HIS A 34 12.890 -7.605 -5.480 1.00 32.34 C ATOM 438 O HIS A 34 12.350 -8.699 -5.674 1.00 11.32 O ATOM 439 CB HIS A 34 15.151 -8.257 -6.433 1.00 20.02 C ATOM 440 CG HIS A 34 16.188 -7.956 -7.492 1.00 20.25 C ATOM 441 ND1 HIS A 34 16.028 -8.133 -8.848 1.00 63.31 N ATOM 442 CD2 HIS A 34 17.415 -7.381 -7.296 1.00 24.02 C ATOM 443 CE1 HIS A 34 17.139 -7.683 -9.452 1.00 52.20 C ATOM 444 NE2 HIS A 34 18.012 -7.207 -8.550 1.00 55.41 N ATOM 0 H HIS A 34 15.427 -6.137 -5.139 1.00 4.35 H new ATOM 0 HA HIS A 34 13.681 -6.966 -7.345 1.00 41.11 H new ATOM 0 HB2 HIS A 34 15.641 -8.359 -5.465 1.00 20.02 H new ATOM 0 HB3 HIS A 34 14.675 -9.213 -6.652 1.00 20.02 H new ATOM 0 HD2 HIS A 34 17.846 -7.110 -6.343 1.00 24.02 H new ATOM 0 HE1 HIS A 34 17.308 -7.701 -10.519 1.00 52.20 H new ATOM 0 HE2 HIS A 34 18.928 -6.800 -8.740 1.00 55.41 H new ATOM 451 N SER A 35 12.492 -6.817 -4.471 1.00 75.03 N ATOM 452 CA SER A 35 11.380 -7.169 -3.622 1.00 41.31 C ATOM 453 C SER A 35 10.090 -7.139 -4.462 1.00 43.32 C ATOM 454 O SER A 35 10.035 -6.550 -5.548 1.00 34.35 O ATOM 455 CB SER A 35 11.308 -6.284 -2.376 1.00 74.22 C ATOM 456 OG SER A 35 10.509 -6.865 -1.354 1.00 3.41 O ATOM 0 H SER A 35 12.936 -5.930 -4.234 1.00 75.03 H new ATOM 0 HA SER A 35 11.517 -8.180 -3.238 1.00 41.31 H new ATOM 0 HB2 SER A 35 12.315 -6.112 -1.995 1.00 74.22 H new ATOM 0 HB3 SER A 35 10.899 -5.310 -2.646 1.00 74.22 H new ATOM 0 HG SER A 35 10.490 -6.270 -0.576 1.00 3.41 H new ATOM 461 N THR A 36 9.032 -7.721 -3.928 1.00 63.00 N ATOM 462 CA THR A 36 7.720 -7.853 -4.562 1.00 64.24 C ATOM 463 C THR A 36 6.629 -7.465 -3.569 1.00 14.32 C ATOM 464 O THR A 36 6.803 -7.619 -2.360 1.00 72.12 O ATOM 465 CB THR A 36 7.521 -9.290 -5.086 1.00 21.32 C ATOM 466 OG1 THR A 36 8.293 -10.221 -4.349 1.00 2.54 O ATOM 467 CG2 THR A 36 7.983 -9.398 -6.534 1.00 1.41 C ATOM 0 H THR A 36 9.059 -8.136 -2.997 1.00 63.00 H new ATOM 0 HA THR A 36 7.660 -7.179 -5.417 1.00 64.24 H new ATOM 0 HB THR A 36 6.458 -9.511 -4.988 1.00 21.32 H new ATOM 0 HG1 THR A 36 8.144 -11.122 -4.703 1.00 2.54 H new ATOM 0 HG21 THR A 36 7.836 -10.418 -6.888 1.00 1.41 H new ATOM 0 HG22 THR A 36 7.404 -8.712 -7.153 1.00 1.41 H new ATOM 0 HG23 THR A 36 9.040 -9.141 -6.599 1.00 1.41 H new ATOM 475 N MET A 37 5.511 -6.928 -4.062 1.00 3.21 N ATOM 476 CA MET A 37 4.447 -6.348 -3.244 1.00 34.12 C ATOM 477 C MET A 37 3.763 -7.368 -2.332 1.00 23.02 C ATOM 478 O MET A 37 3.116 -7.008 -1.350 1.00 50.43 O ATOM 479 CB MET A 37 3.429 -5.711 -4.194 1.00 4.11 C ATOM 480 CG MET A 37 2.445 -6.712 -4.812 1.00 71.43 C ATOM 481 SD MET A 37 1.589 -6.104 -6.285 1.00 61.03 S ATOM 482 CE MET A 37 0.840 -4.623 -5.581 1.00 31.04 C ATOM 0 H MET A 37 5.317 -6.884 -5.062 1.00 3.21 H new ATOM 0 HA MET A 37 4.887 -5.607 -2.576 1.00 34.12 H new ATOM 0 HB2 MET A 37 2.866 -4.951 -3.652 1.00 4.11 H new ATOM 0 HB3 MET A 37 3.964 -5.201 -4.995 1.00 4.11 H new ATOM 0 HG2 MET A 37 2.986 -7.622 -5.070 1.00 71.43 H new ATOM 0 HG3 MET A 37 1.703 -6.984 -4.062 1.00 71.43 H new ATOM 0 HE1 MET A 37 0.249 -4.116 -6.344 1.00 31.04 H new ATOM 0 HE2 MET A 37 0.195 -4.902 -4.748 1.00 31.04 H new ATOM 0 HE3 MET A 37 1.623 -3.954 -5.225 1.00 31.04 H new ATOM 490 N ASP A 38 3.872 -8.647 -2.687 1.00 34.03 N ATOM 491 CA ASP A 38 3.137 -9.729 -2.058 1.00 34.21 C ATOM 492 C ASP A 38 3.669 -10.005 -0.654 1.00 12.41 C ATOM 493 O ASP A 38 2.962 -10.627 0.139 1.00 14.24 O ATOM 494 CB ASP A 38 3.171 -10.970 -2.957 1.00 71.41 C ATOM 495 CG ASP A 38 2.601 -10.645 -4.339 1.00 64.01 C ATOM 496 OD1 ASP A 38 3.379 -10.170 -5.195 1.00 31.35 O ATOM 497 OD2 ASP A 38 1.374 -10.768 -4.561 1.00 45.31 O ATOM 0 H ASP A 38 4.488 -8.961 -3.437 1.00 34.03 H new ATOM 0 HA ASP A 38 2.093 -9.438 -1.939 1.00 34.21 H new ATOM 0 HB2 ASP A 38 4.196 -11.328 -3.055 1.00 71.41 H new ATOM 0 HB3 ASP A 38 2.595 -11.774 -2.499 1.00 71.41 H new ATOM 501 N SER A 39 4.858 -9.488 -0.302 1.00 54.40 N ATOM 502 CA SER A 39 5.344 -9.436 1.071 1.00 44.24 C ATOM 503 C SER A 39 4.305 -8.747 1.953 1.00 5.24 C ATOM 504 O SER A 39 3.817 -9.337 2.919 1.00 45.43 O ATOM 505 CB SER A 39 6.717 -8.742 1.139 1.00 25.03 C ATOM 506 OG SER A 39 6.710 -7.455 0.560 1.00 64.41 O ATOM 0 H SER A 39 5.511 -9.091 -0.978 1.00 54.40 H new ATOM 0 HA SER A 39 5.487 -10.449 1.446 1.00 44.24 H new ATOM 0 HB2 SER A 39 7.028 -8.665 2.181 1.00 25.03 H new ATOM 0 HB3 SER A 39 7.457 -9.360 0.630 1.00 25.03 H new ATOM 0 HG SER A 39 6.727 -7.536 -0.417 1.00 64.41 H new ATOM 511 N ILE A 40 3.950 -7.517 1.591 1.00 52.35 N ATOM 512 CA ILE A 40 3.007 -6.673 2.297 1.00 41.21 C ATOM 513 C ILE A 40 1.642 -7.354 2.296 1.00 12.43 C ATOM 514 O ILE A 40 1.073 -7.566 3.366 1.00 34.04 O ATOM 515 CB ILE A 40 2.973 -5.285 1.629 1.00 61.44 C ATOM 516 CG1 ILE A 40 4.374 -4.630 1.574 1.00 43.42 C ATOM 517 CG2 ILE A 40 2.000 -4.338 2.348 1.00 10.52 C ATOM 518 CD1 ILE A 40 4.993 -4.598 0.172 1.00 4.13 C ATOM 0 H ILE A 40 4.332 -7.067 0.759 1.00 52.35 H new ATOM 0 HA ILE A 40 3.307 -6.529 3.335 1.00 41.21 H new ATOM 0 HB ILE A 40 2.626 -5.449 0.609 1.00 61.44 H new ATOM 0 HG12 ILE A 40 4.302 -3.610 1.951 1.00 43.42 H new ATOM 0 HG13 ILE A 40 5.043 -5.171 2.243 1.00 43.42 H new ATOM 0 HG21 ILE A 40 2.001 -3.368 1.850 1.00 10.52 H new ATOM 0 HG22 ILE A 40 0.995 -4.759 2.320 1.00 10.52 H new ATOM 0 HG23 ILE A 40 2.312 -4.214 3.385 1.00 10.52 H new ATOM 0 HD11 ILE A 40 5.973 -4.124 0.218 1.00 4.13 H new ATOM 0 HD12 ILE A 40 5.100 -5.616 -0.202 1.00 4.13 H new ATOM 0 HD13 ILE A 40 4.347 -4.031 -0.498 1.00 4.13 H new ATOM 529 N LEU A 41 1.117 -7.690 1.111 1.00 70.13 N ATOM 530 CA LEU A 41 -0.247 -8.197 0.993 1.00 52.40 C ATOM 531 C LEU A 41 -0.428 -9.428 1.868 1.00 12.13 C ATOM 532 O LEU A 41 -1.272 -9.411 2.759 1.00 30.42 O ATOM 533 CB LEU A 41 -0.632 -8.479 -0.463 1.00 70.42 C ATOM 534 CG LEU A 41 -0.829 -7.195 -1.287 1.00 12.23 C ATOM 535 CD1 LEU A 41 -1.089 -7.567 -2.741 1.00 5.35 C ATOM 536 CD2 LEU A 41 -2.014 -6.351 -0.789 1.00 22.13 C ATOM 0 H LEU A 41 1.618 -7.619 0.225 1.00 70.13 H new ATOM 0 HA LEU A 41 -0.925 -7.420 1.347 1.00 52.40 H new ATOM 0 HB2 LEU A 41 0.143 -9.088 -0.928 1.00 70.42 H new ATOM 0 HB3 LEU A 41 -1.552 -9.064 -0.484 1.00 70.42 H new ATOM 0 HG LEU A 41 0.080 -6.603 -1.181 1.00 12.23 H new ATOM 0 HD11 LEU A 41 -1.229 -6.660 -3.329 1.00 5.35 H new ATOM 0 HD12 LEU A 41 -0.238 -8.125 -3.132 1.00 5.35 H new ATOM 0 HD13 LEU A 41 -1.986 -8.183 -2.804 1.00 5.35 H new ATOM 0 HD21 LEU A 41 -2.108 -5.457 -1.405 1.00 22.13 H new ATOM 0 HD22 LEU A 41 -2.931 -6.936 -0.856 1.00 22.13 H new ATOM 0 HD23 LEU A 41 -1.844 -6.061 0.248 1.00 22.13 H new ATOM 547 N GLY A 42 0.392 -10.461 1.679 1.00 32.32 N ATOM 548 CA GLY A 42 0.245 -11.692 2.439 1.00 50.55 C ATOM 549 C GLY A 42 0.525 -11.520 3.933 1.00 30.43 C ATOM 550 O GLY A 42 0.044 -12.329 4.728 1.00 53.45 O ATOM 0 H GLY A 42 1.160 -10.466 1.008 1.00 32.32 H new ATOM 0 HA2 GLY A 42 -0.768 -12.072 2.308 1.00 50.55 H new ATOM 0 HA3 GLY A 42 0.923 -12.444 2.034 1.00 50.55 H new ATOM 554 N ALA A 43 1.274 -10.488 4.343 1.00 10.13 N ATOM 555 CA ALA A 43 1.498 -10.206 5.755 1.00 61.13 C ATOM 556 C ALA A 43 0.228 -9.669 6.413 1.00 5.10 C ATOM 557 O ALA A 43 -0.096 -10.076 7.532 1.00 45.35 O ATOM 558 CB ALA A 43 2.627 -9.187 5.936 1.00 61.31 C ATOM 0 H ALA A 43 1.734 -9.835 3.708 1.00 10.13 H new ATOM 0 HA ALA A 43 1.780 -11.144 6.234 1.00 61.13 H new ATOM 0 HB1 ALA A 43 2.775 -8.993 6.998 1.00 61.31 H new ATOM 0 HB2 ALA A 43 3.547 -9.584 5.508 1.00 61.31 H new ATOM 0 HB3 ALA A 43 2.363 -8.258 5.431 1.00 61.31 H new ATOM 564 N LEU A 44 -0.430 -8.706 5.759 1.00 42.23 N ATOM 565 CA LEU A 44 -1.480 -7.888 6.367 1.00 42.55 C ATOM 566 C LEU A 44 -2.881 -8.342 5.976 1.00 54.12 C ATOM 567 O LEU A 44 -3.836 -7.887 6.602 1.00 12.13 O ATOM 568 CB LEU A 44 -1.295 -6.405 5.986 1.00 25.14 C ATOM 569 CG LEU A 44 -0.156 -5.616 6.675 1.00 51.41 C ATOM 570 CD1 LEU A 44 0.626 -6.358 7.767 1.00 13.14 C ATOM 571 CD2 LEU A 44 0.840 -5.059 5.655 1.00 24.30 C ATOM 0 H LEU A 44 -0.245 -8.472 4.784 1.00 42.23 H new ATOM 0 HA LEU A 44 -1.384 -8.011 7.446 1.00 42.55 H new ATOM 0 HB2 LEU A 44 -1.133 -6.354 4.909 1.00 25.14 H new ATOM 0 HB3 LEU A 44 -2.232 -5.888 6.192 1.00 25.14 H new ATOM 0 HG LEU A 44 -0.695 -4.816 7.183 1.00 51.41 H new ATOM 0 HD11 LEU A 44 1.396 -5.702 8.173 1.00 13.14 H new ATOM 0 HD12 LEU A 44 -0.055 -6.655 8.564 1.00 13.14 H new ATOM 0 HD13 LEU A 44 1.094 -7.245 7.340 1.00 13.14 H new ATOM 0 HD21 LEU A 44 1.626 -4.511 6.175 1.00 24.30 H new ATOM 0 HD22 LEU A 44 1.283 -5.881 5.092 1.00 24.30 H new ATOM 0 HD23 LEU A 44 0.322 -4.388 4.970 1.00 24.30 H new ATOM 582 N ALA A 45 -3.006 -9.231 4.986 1.00 41.43 N ATOM 583 CA ALA A 45 -4.244 -9.706 4.378 1.00 13.22 C ATOM 584 C ALA A 45 -5.427 -9.802 5.360 1.00 10.42 C ATOM 585 O ALA A 45 -6.401 -9.065 5.159 1.00 4.33 O ATOM 586 CB ALA A 45 -3.976 -11.010 3.614 1.00 25.41 C ATOM 0 H ALA A 45 -2.186 -9.665 4.562 1.00 41.43 H new ATOM 0 HA ALA A 45 -4.572 -8.952 3.662 1.00 13.22 H new ATOM 0 HB1 ALA A 45 -4.902 -11.363 3.161 1.00 25.41 H new ATOM 0 HB2 ALA A 45 -3.236 -10.829 2.834 1.00 25.41 H new ATOM 0 HB3 ALA A 45 -3.599 -11.765 4.304 1.00 25.41 H new ATOM 592 N PRO A 46 -5.376 -10.619 6.435 1.00 62.21 N ATOM 593 CA PRO A 46 -6.537 -10.828 7.297 1.00 54.21 C ATOM 594 C PRO A 46 -6.899 -9.633 8.167 1.00 25.22 C ATOM 595 O PRO A 46 -7.985 -9.624 8.752 1.00 1.24 O ATOM 596 CB PRO A 46 -6.186 -12.023 8.192 1.00 64.25 C ATOM 597 CG PRO A 46 -4.660 -12.007 8.223 1.00 45.11 C ATOM 598 CD PRO A 46 -4.304 -11.529 6.821 1.00 72.23 C ATOM 0 HA PRO A 46 -7.411 -10.994 6.668 1.00 54.21 H new ATOM 0 HB2 PRO A 46 -6.609 -11.915 9.191 1.00 64.25 H new ATOM 0 HB3 PRO A 46 -6.570 -12.958 7.783 1.00 64.25 H new ATOM 0 HG2 PRO A 46 -4.277 -11.334 8.990 1.00 45.11 H new ATOM 0 HG3 PRO A 46 -4.248 -12.995 8.431 1.00 45.11 H new ATOM 0 HD2 PRO A 46 -3.338 -11.024 6.812 1.00 72.23 H new ATOM 0 HD3 PRO A 46 -4.232 -12.367 6.127 1.00 72.23 H new ATOM 603 N TYR A 47 -6.007 -8.658 8.284 1.00 74.33 N ATOM 604 CA TYR A 47 -6.115 -7.528 9.187 1.00 65.13 C ATOM 605 C TYR A 47 -6.413 -6.240 8.425 1.00 65.42 C ATOM 606 O TYR A 47 -6.393 -5.157 9.014 1.00 33.21 O ATOM 607 CB TYR A 47 -4.793 -7.387 9.941 1.00 51.33 C ATOM 608 CG TYR A 47 -4.225 -8.662 10.530 1.00 4.43 C ATOM 609 CD1 TYR A 47 -5.056 -9.534 11.260 1.00 72.44 C ATOM 610 CD2 TYR A 47 -2.868 -8.983 10.332 1.00 24.24 C ATOM 611 CE1 TYR A 47 -4.531 -10.716 11.804 1.00 12.54 C ATOM 612 CE2 TYR A 47 -2.329 -10.151 10.899 1.00 63.25 C ATOM 613 CZ TYR A 47 -3.157 -11.008 11.657 1.00 41.11 C ATOM 614 OH TYR A 47 -2.624 -12.116 12.235 1.00 11.51 O ATOM 0 H TYR A 47 -5.153 -8.636 7.727 1.00 74.33 H new ATOM 0 HA TYR A 47 -6.937 -7.702 9.881 1.00 65.13 H new ATOM 0 HB2 TYR A 47 -4.053 -6.963 9.262 1.00 51.33 H new ATOM 0 HB3 TYR A 47 -4.933 -6.668 10.748 1.00 51.33 H new ATOM 0 HD1 TYR A 47 -6.099 -9.292 11.401 1.00 72.44 H new ATOM 0 HD2 TYR A 47 -2.240 -8.330 9.743 1.00 24.24 H new ATOM 0 HE1 TYR A 47 -5.176 -11.401 12.334 1.00 12.54 H new ATOM 0 HE2 TYR A 47 -1.286 -10.392 10.756 1.00 63.25 H new ATOM 0 HH TYR A 47 -1.667 -12.163 12.031 1.00 11.51 H new ATOM 623 N ALA A 48 -6.646 -6.342 7.119 1.00 21.13 N ATOM 624 CA ALA A 48 -6.913 -5.211 6.247 1.00 30.32 C ATOM 625 C ALA A 48 -8.143 -5.525 5.398 1.00 34.43 C ATOM 626 O ALA A 48 -8.731 -6.602 5.528 1.00 74.21 O ATOM 627 CB ALA A 48 -5.660 -4.919 5.414 1.00 14.13 C ATOM 0 H ALA A 48 -6.654 -7.237 6.630 1.00 21.13 H new ATOM 0 HA ALA A 48 -7.136 -4.308 6.815 1.00 30.32 H new ATOM 0 HB1 ALA A 48 -5.850 -4.071 4.756 1.00 14.13 H new ATOM 0 HB2 ALA A 48 -4.828 -4.683 6.078 1.00 14.13 H new ATOM 0 HB3 ALA A 48 -5.409 -5.794 4.815 1.00 14.13 H new ATOM 633 N VAL A 49 -8.564 -4.589 4.551 1.00 64.15 N ATOM 634 CA VAL A 49 -9.539 -4.813 3.502 1.00 65.21 C ATOM 635 C VAL A 49 -9.123 -3.965 2.301 1.00 65.14 C ATOM 636 O VAL A 49 -9.639 -2.875 2.045 1.00 53.44 O ATOM 637 CB VAL A 49 -10.950 -4.634 4.065 1.00 22.10 C ATOM 638 CG1 VAL A 49 -11.248 -3.266 4.669 1.00 34.03 C ATOM 639 CG2 VAL A 49 -11.998 -5.053 3.031 1.00 22.41 C ATOM 0 H VAL A 49 -8.223 -3.628 4.582 1.00 64.15 H new ATOM 0 HA VAL A 49 -9.567 -5.835 3.124 1.00 65.21 H new ATOM 0 HB VAL A 49 -11.006 -5.305 4.922 1.00 22.10 H new ATOM 0 HG11 VAL A 49 -12.274 -3.247 5.038 1.00 34.03 H new ATOM 0 HG12 VAL A 49 -10.562 -3.075 5.494 1.00 34.03 H new ATOM 0 HG13 VAL A 49 -11.122 -2.497 3.907 1.00 34.03 H new ATOM 0 HG21 VAL A 49 -12.996 -4.919 3.449 1.00 22.41 H new ATOM 0 HG22 VAL A 49 -11.893 -4.438 2.137 1.00 22.41 H new ATOM 0 HG23 VAL A 49 -11.852 -6.101 2.769 1.00 22.41 H new ATOM 649 N LEU A 50 -8.071 -4.429 1.630 1.00 63.33 N ATOM 650 CA LEU A 50 -7.382 -3.686 0.584 1.00 41.20 C ATOM 651 C LEU A 50 -6.915 -4.614 -0.523 1.00 43.30 C ATOM 652 O LEU A 50 -7.054 -5.835 -0.432 1.00 25.24 O ATOM 653 CB LEU A 50 -6.242 -2.833 1.173 1.00 22.25 C ATOM 654 CG LEU A 50 -5.129 -3.562 1.948 1.00 43.52 C ATOM 655 CD1 LEU A 50 -4.231 -4.476 1.112 1.00 31.22 C ATOM 656 CD2 LEU A 50 -4.243 -2.496 2.597 1.00 50.24 C ATOM 0 H LEU A 50 -7.668 -5.350 1.803 1.00 63.33 H new ATOM 0 HA LEU A 50 -8.086 -2.990 0.129 1.00 41.20 H new ATOM 0 HB2 LEU A 50 -5.776 -2.284 0.354 1.00 22.25 H new ATOM 0 HB3 LEU A 50 -6.686 -2.094 1.840 1.00 22.25 H new ATOM 0 HG LEU A 50 -5.634 -4.214 2.661 1.00 43.52 H new ATOM 0 HD11 LEU A 50 -3.483 -4.939 1.756 1.00 31.22 H new ATOM 0 HD12 LEU A 50 -4.837 -5.252 0.644 1.00 31.22 H new ATOM 0 HD13 LEU A 50 -3.733 -3.889 0.340 1.00 31.22 H new ATOM 0 HD21 LEU A 50 -3.442 -2.980 3.156 1.00 50.24 H new ATOM 0 HD22 LEU A 50 -3.813 -1.860 1.823 1.00 50.24 H new ATOM 0 HD23 LEU A 50 -4.842 -1.888 3.275 1.00 50.24 H new ATOM 667 N SER A 51 -6.347 -4.021 -1.571 1.00 23.22 N ATOM 668 CA SER A 51 -5.934 -4.714 -2.774 1.00 71.12 C ATOM 669 C SER A 51 -4.598 -4.150 -3.261 1.00 41.14 C ATOM 670 O SER A 51 -4.057 -3.197 -2.692 1.00 4.34 O ATOM 671 CB SER A 51 -7.067 -4.549 -3.797 1.00 2.14 C ATOM 672 OG SER A 51 -7.172 -5.674 -4.638 1.00 64.24 O ATOM 0 H SER A 51 -6.159 -3.019 -1.601 1.00 23.22 H new ATOM 0 HA SER A 51 -5.767 -5.777 -2.602 1.00 71.12 H new ATOM 0 HB2 SER A 51 -8.011 -4.395 -3.274 1.00 2.14 H new ATOM 0 HB3 SER A 51 -6.888 -3.659 -4.400 1.00 2.14 H new ATOM 0 HG SER A 51 -7.903 -5.538 -5.276 1.00 64.24 H new ATOM 677 N SER A 52 -4.063 -4.724 -4.336 1.00 12.44 N ATOM 678 CA SER A 52 -2.775 -4.378 -4.925 1.00 14.42 C ATOM 679 C SER A 52 -2.688 -2.906 -5.352 1.00 43.53 C ATOM 680 O SER A 52 -1.593 -2.346 -5.371 1.00 34.34 O ATOM 681 CB SER A 52 -2.501 -5.349 -6.092 1.00 53.22 C ATOM 682 OG SER A 52 -3.708 -5.717 -6.742 1.00 41.44 O ATOM 0 H SER A 52 -4.536 -5.474 -4.840 1.00 12.44 H new ATOM 0 HA SER A 52 -1.997 -4.488 -4.169 1.00 14.42 H new ATOM 0 HB2 SER A 52 -1.826 -4.881 -6.809 1.00 53.22 H new ATOM 0 HB3 SER A 52 -1.999 -6.241 -5.717 1.00 53.22 H new ATOM 0 HG SER A 52 -3.508 -6.331 -7.479 1.00 41.44 H new ATOM 687 N SER A 53 -3.817 -2.237 -5.598 1.00 31.24 N ATOM 688 CA SER A 53 -3.883 -0.803 -5.856 1.00 1.45 C ATOM 689 C SER A 53 -3.296 0.038 -4.721 1.00 10.22 C ATOM 690 O SER A 53 -2.670 1.072 -4.960 1.00 32.02 O ATOM 691 CB SER A 53 -5.354 -0.436 -6.012 1.00 2.13 C ATOM 692 OG SER A 53 -5.938 -1.124 -7.101 1.00 14.33 O ATOM 0 H SER A 53 -4.730 -2.691 -5.623 1.00 31.24 H new ATOM 0 HA SER A 53 -3.296 -0.592 -6.750 1.00 1.45 H new ATOM 0 HB2 SER A 53 -5.891 -0.678 -5.095 1.00 2.13 H new ATOM 0 HB3 SER A 53 -5.450 0.639 -6.164 1.00 2.13 H new ATOM 0 HG SER A 53 -6.882 -0.872 -7.179 1.00 14.33 H new ATOM 697 N ASN A 54 -3.587 -0.354 -3.482 1.00 43.24 N ATOM 698 CA ASN A 54 -3.244 0.390 -2.277 1.00 62.42 C ATOM 699 C ASN A 54 -1.734 0.396 -2.092 1.00 24.03 C ATOM 700 O ASN A 54 -1.148 1.438 -1.793 1.00 2.11 O ATOM 701 CB ASN A 54 -3.922 -0.248 -1.059 1.00 32.15 C ATOM 702 CG ASN A 54 -5.439 -0.143 -1.137 1.00 30.44 C ATOM 703 OD1 ASN A 54 -6.079 -0.843 -1.921 1.00 34.12 O ATOM 704 ND2 ASN A 54 -6.037 0.734 -0.355 1.00 5.31 N ATOM 0 H ASN A 54 -4.082 -1.224 -3.286 1.00 43.24 H new ATOM 0 HA ASN A 54 -3.595 1.417 -2.376 1.00 62.42 H new ATOM 0 HB2 ASN A 54 -3.633 -1.297 -0.990 1.00 32.15 H new ATOM 0 HB3 ASN A 54 -3.570 0.240 -0.150 1.00 32.15 H new ATOM 0 HD21 ASN A 54 -7.050 0.843 -0.392 1.00 5.31 H new ATOM 0 HD22 ASN A 54 -5.486 1.304 0.287 1.00 5.31 H new ATOM 710 N VAL A 55 -1.132 -0.785 -2.245 1.00 25.22 N ATOM 711 CA VAL A 55 0.259 -1.102 -1.965 1.00 61.01 C ATOM 712 C VAL A 55 1.138 -0.777 -3.178 1.00 30.45 C ATOM 713 O VAL A 55 1.584 -1.642 -3.934 1.00 73.21 O ATOM 714 CB VAL A 55 0.345 -2.548 -1.454 1.00 64.12 C ATOM 715 CG1 VAL A 55 -0.322 -3.544 -2.395 1.00 22.42 C ATOM 716 CG2 VAL A 55 1.795 -2.908 -1.124 1.00 22.35 C ATOM 0 H VAL A 55 -1.643 -1.597 -2.592 1.00 25.22 H new ATOM 0 HA VAL A 55 0.660 -0.476 -1.168 1.00 61.01 H new ATOM 0 HB VAL A 55 -0.227 -2.614 -0.529 1.00 64.12 H new ATOM 0 HG11 VAL A 55 -0.231 -4.550 -1.984 1.00 22.42 H new ATOM 0 HG12 VAL A 55 -1.376 -3.291 -2.505 1.00 22.42 H new ATOM 0 HG13 VAL A 55 0.164 -3.505 -3.370 1.00 22.42 H new ATOM 0 HG21 VAL A 55 1.842 -3.935 -0.763 1.00 22.35 H new ATOM 0 HG22 VAL A 55 2.407 -2.810 -2.021 1.00 22.35 H new ATOM 0 HG23 VAL A 55 2.171 -2.235 -0.353 1.00 22.35 H new ATOM 726 N ARG A 56 1.387 0.505 -3.395 1.00 2.53 N ATOM 727 CA ARG A 56 2.163 0.951 -4.541 1.00 42.33 C ATOM 728 C ARG A 56 3.643 0.700 -4.288 1.00 24.34 C ATOM 729 O ARG A 56 4.291 1.425 -3.528 1.00 2.52 O ATOM 730 CB ARG A 56 1.871 2.411 -4.894 1.00 20.04 C ATOM 731 CG ARG A 56 2.307 2.723 -6.336 1.00 35.05 C ATOM 732 CD ARG A 56 1.297 2.263 -7.410 1.00 75.44 C ATOM 733 NE ARG A 56 1.624 0.972 -8.044 1.00 53.24 N ATOM 734 CZ ARG A 56 0.781 0.228 -8.781 1.00 54.24 C ATOM 735 NH1 ARG A 56 -0.465 0.621 -9.039 1.00 64.11 N ATOM 736 NH2 ARG A 56 1.180 -0.926 -9.289 1.00 24.11 N ATOM 0 H ARG A 56 1.061 1.258 -2.789 1.00 2.53 H new ATOM 0 HA ARG A 56 1.864 0.369 -5.413 1.00 42.33 H new ATOM 0 HB2 ARG A 56 0.806 2.611 -4.780 1.00 20.04 H new ATOM 0 HB3 ARG A 56 2.395 3.069 -4.201 1.00 20.04 H new ATOM 0 HG2 ARG A 56 2.462 3.798 -6.434 1.00 35.05 H new ATOM 0 HG3 ARG A 56 3.268 2.244 -6.526 1.00 35.05 H new ATOM 0 HD2 ARG A 56 0.310 2.190 -6.954 1.00 75.44 H new ATOM 0 HD3 ARG A 56 1.235 3.028 -8.184 1.00 75.44 H new ATOM 0 HE ARG A 56 2.570 0.613 -7.912 1.00 53.24 H new ATOM 0 HH11 ARG A 56 -0.805 1.511 -8.674 1.00 64.11 H new ATOM 0 HH12 ARG A 56 -1.079 0.032 -9.602 1.00 64.11 H new ATOM 0 HH21 ARG A 56 2.131 -1.255 -9.122 1.00 24.11 H new ATOM 0 HH22 ARG A 56 0.537 -1.487 -9.848 1.00 24.11 H new ATOM 747 N VAL A 57 4.196 -0.311 -4.950 1.00 13.52 N ATOM 748 CA VAL A 57 5.631 -0.418 -5.126 1.00 63.31 C ATOM 749 C VAL A 57 6.044 0.762 -6.009 1.00 1.55 C ATOM 750 O VAL A 57 5.560 0.911 -7.136 1.00 11.13 O ATOM 751 CB VAL A 57 5.999 -1.793 -5.714 1.00 22.25 C ATOM 752 CG1 VAL A 57 7.506 -1.914 -5.960 1.00 3.54 C ATOM 753 CG2 VAL A 57 5.577 -2.915 -4.753 1.00 0.53 C ATOM 0 H VAL A 57 3.664 -1.070 -5.374 1.00 13.52 H new ATOM 0 HA VAL A 57 6.173 -0.364 -4.182 1.00 63.31 H new ATOM 0 HB VAL A 57 5.472 -1.887 -6.663 1.00 22.25 H new ATOM 0 HG11 VAL A 57 7.729 -2.897 -6.375 1.00 3.54 H new ATOM 0 HG12 VAL A 57 7.823 -1.143 -6.662 1.00 3.54 H new ATOM 0 HG13 VAL A 57 8.040 -1.788 -5.018 1.00 3.54 H new ATOM 0 HG21 VAL A 57 5.843 -3.881 -5.182 1.00 0.53 H new ATOM 0 HG22 VAL A 57 6.088 -2.788 -3.799 1.00 0.53 H new ATOM 0 HG23 VAL A 57 4.499 -2.873 -4.595 1.00 0.53 H new ATOM 763 N ILE A 58 6.876 1.651 -5.469 1.00 62.14 N ATOM 764 CA ILE A 58 7.572 2.656 -6.265 1.00 0.31 C ATOM 765 C ILE A 58 8.811 1.990 -6.861 1.00 23.45 C ATOM 766 O ILE A 58 9.408 1.110 -6.233 1.00 63.30 O ATOM 767 CB ILE A 58 7.898 3.904 -5.406 1.00 61.34 C ATOM 768 CG1 ILE A 58 6.681 4.409 -4.587 1.00 75.30 C ATOM 769 CG2 ILE A 58 8.448 5.054 -6.269 1.00 54.43 C ATOM 770 CD1 ILE A 58 5.412 4.700 -5.405 1.00 4.35 C ATOM 0 H ILE A 58 7.085 1.694 -4.472 1.00 62.14 H new ATOM 0 HA ILE A 58 6.947 3.023 -7.080 1.00 0.31 H new ATOM 0 HB ILE A 58 8.664 3.583 -4.700 1.00 61.34 H new ATOM 0 HG12 ILE A 58 6.441 3.664 -3.828 1.00 75.30 H new ATOM 0 HG13 ILE A 58 6.971 5.319 -4.061 1.00 75.30 H new ATOM 0 HG21 ILE A 58 8.666 5.913 -5.634 1.00 54.43 H new ATOM 0 HG22 ILE A 58 9.362 4.730 -6.767 1.00 54.43 H new ATOM 0 HG23 ILE A 58 7.706 5.334 -7.017 1.00 54.43 H new ATOM 0 HD11 ILE A 58 4.622 5.047 -4.739 1.00 4.35 H new ATOM 0 HD12 ILE A 58 5.626 5.470 -6.147 1.00 4.35 H new ATOM 0 HD13 ILE A 58 5.088 3.790 -5.910 1.00 4.35 H new ATOM 781 N LYS A 59 9.204 2.402 -8.064 1.00 51.20 N ATOM 782 CA LYS A 59 10.331 1.861 -8.813 1.00 72.31 C ATOM 783 C LYS A 59 11.132 3.034 -9.367 1.00 15.22 C ATOM 784 O LYS A 59 10.649 4.176 -9.358 1.00 71.20 O ATOM 785 CB LYS A 59 9.831 0.944 -9.946 1.00 22.25 C ATOM 786 CG LYS A 59 8.946 -0.226 -9.457 1.00 40.44 C ATOM 787 CD LYS A 59 8.064 -0.900 -10.520 1.00 14.43 C ATOM 788 CE LYS A 59 8.747 -1.068 -11.877 1.00 60.02 C ATOM 789 NZ LYS A 59 7.824 -1.533 -12.934 1.00 0.25 N ATOM 0 H LYS A 59 8.725 3.152 -8.562 1.00 51.20 H new ATOM 0 HA LYS A 59 10.965 1.256 -8.165 1.00 72.31 H new ATOM 0 HB2 LYS A 59 9.265 1.541 -10.661 1.00 22.25 H new ATOM 0 HB3 LYS A 59 10.691 0.539 -10.479 1.00 22.25 H new ATOM 0 HG2 LYS A 59 9.593 -0.985 -9.018 1.00 40.44 H new ATOM 0 HG3 LYS A 59 8.301 0.143 -8.660 1.00 40.44 H new ATOM 0 HD2 LYS A 59 7.757 -1.880 -10.155 1.00 14.43 H new ATOM 0 HD3 LYS A 59 7.157 -0.311 -10.652 1.00 14.43 H new ATOM 0 HE2 LYS A 59 9.185 -0.116 -12.178 1.00 60.02 H new ATOM 0 HE3 LYS A 59 9.567 -1.779 -11.779 1.00 60.02 H new ATOM 0 HZ1 LYS A 59 8.217 -1.296 -13.867 1.00 0.25 H new ATOM 0 HZ2 LYS A 59 7.703 -2.563 -12.861 1.00 0.25 H new ATOM 0 HZ3 LYS A 59 6.901 -1.067 -12.819 1.00 0.25 H new ATOM 799 N ASP A 60 12.342 2.774 -9.854 1.00 41.51 N ATOM 800 CA ASP A 60 13.149 3.784 -10.541 1.00 75.54 C ATOM 801 C ASP A 60 12.509 4.169 -11.884 1.00 41.23 C ATOM 802 O ASP A 60 11.391 3.767 -12.200 1.00 3.54 O ATOM 803 CB ASP A 60 14.595 3.298 -10.706 1.00 31.45 C ATOM 804 CG ASP A 60 15.529 4.501 -10.830 1.00 22.25 C ATOM 805 OD1 ASP A 60 15.853 5.079 -9.767 1.00 73.54 O ATOM 806 OD2 ASP A 60 15.809 4.922 -11.974 1.00 63.54 O ATOM 0 H ASP A 60 12.792 1.861 -9.785 1.00 41.51 H new ATOM 0 HA ASP A 60 13.179 4.686 -9.930 1.00 75.54 H new ATOM 0 HB2 ASP A 60 14.884 2.687 -9.851 1.00 31.45 H new ATOM 0 HB3 ASP A 60 14.679 2.667 -11.591 1.00 31.45 H new ATOM 810 N LYS A 61 13.192 4.978 -12.684 1.00 72.30 N ATOM 811 CA LYS A 61 12.891 5.286 -14.063 1.00 3.03 C ATOM 812 C LYS A 61 13.825 4.496 -14.981 1.00 72.33 C ATOM 813 O LYS A 61 13.361 3.954 -15.982 1.00 3.11 O ATOM 814 CB LYS A 61 13.070 6.801 -14.196 1.00 63.50 C ATOM 815 CG LYS A 61 13.115 7.324 -15.632 1.00 40.44 C ATOM 816 CD LYS A 61 11.868 6.940 -16.423 1.00 4.05 C ATOM 817 CE LYS A 61 11.964 7.590 -17.804 1.00 73.53 C ATOM 818 NZ LYS A 61 11.066 6.957 -18.782 1.00 20.31 N ATOM 0 H LYS A 61 14.026 5.466 -12.357 1.00 72.30 H new ATOM 0 HA LYS A 61 11.878 5.005 -14.352 1.00 3.03 H new ATOM 0 HB2 LYS A 61 12.253 7.295 -13.671 1.00 63.50 H new ATOM 0 HB3 LYS A 61 13.993 7.088 -13.692 1.00 63.50 H new ATOM 0 HG2 LYS A 61 13.215 8.409 -15.619 1.00 40.44 H new ATOM 0 HG3 LYS A 61 13.998 6.928 -16.134 1.00 40.44 H new ATOM 0 HD2 LYS A 61 11.795 5.856 -16.516 1.00 4.05 H new ATOM 0 HD3 LYS A 61 10.970 7.277 -15.905 1.00 4.05 H new ATOM 0 HE2 LYS A 61 11.720 8.649 -17.722 1.00 73.53 H new ATOM 0 HE3 LYS A 61 12.991 7.526 -18.163 1.00 73.53 H new ATOM 0 HZ1 LYS A 61 11.166 7.431 -19.702 1.00 20.31 H new ATOM 0 HZ2 LYS A 61 11.314 5.952 -18.881 1.00 20.31 H new ATOM 0 HZ3 LYS A 61 10.082 7.040 -18.455 1.00 20.31 H new ATOM 828 N GLN A 62 15.127 4.443 -14.678 1.00 13.12 N ATOM 829 CA GLN A 62 16.106 3.799 -15.553 1.00 52.43 C ATOM 830 C GLN A 62 15.911 2.292 -15.596 1.00 21.53 C ATOM 831 O GLN A 62 16.286 1.629 -16.565 1.00 33.11 O ATOM 832 CB GLN A 62 17.532 4.095 -15.090 1.00 15.14 C ATOM 833 CG GLN A 62 17.787 5.598 -14.965 1.00 20.35 C ATOM 834 CD GLN A 62 19.251 6.034 -14.990 1.00 34.22 C ATOM 835 OE1 GLN A 62 19.615 7.007 -14.326 1.00 61.40 O ATOM 836 NE2 GLN A 62 20.121 5.413 -15.771 1.00 42.11 N ATOM 0 H GLN A 62 15.526 4.841 -13.828 1.00 13.12 H new ATOM 0 HA GLN A 62 15.951 4.208 -16.552 1.00 52.43 H new ATOM 0 HB2 GLN A 62 17.709 3.615 -14.128 1.00 15.14 H new ATOM 0 HB3 GLN A 62 18.241 3.663 -15.797 1.00 15.14 H new ATOM 0 HG2 GLN A 62 17.264 6.104 -15.777 1.00 20.35 H new ATOM 0 HG3 GLN A 62 17.341 5.946 -14.033 1.00 20.35 H new ATOM 0 HE21 GLN A 62 19.826 4.607 -16.323 1.00 42.11 H new ATOM 0 HE22 GLN A 62 21.086 5.740 -15.821 1.00 42.11 H new ATOM 843 N THR A 63 15.346 1.746 -14.532 1.00 15.21 N ATOM 844 CA THR A 63 15.156 0.334 -14.299 1.00 63.13 C ATOM 845 C THR A 63 13.710 0.141 -13.862 1.00 0.23 C ATOM 846 O THR A 63 12.909 1.084 -13.824 1.00 20.11 O ATOM 847 CB THR A 63 16.198 -0.130 -13.260 1.00 43.00 C ATOM 848 OG1 THR A 63 16.117 0.656 -12.092 1.00 64.53 O ATOM 849 CG2 THR A 63 17.629 -0.009 -13.776 1.00 24.51 C ATOM 0 H THR A 63 14.988 2.316 -13.765 1.00 15.21 H new ATOM 0 HA THR A 63 15.314 -0.278 -15.187 1.00 63.13 H new ATOM 0 HB THR A 63 15.969 -1.176 -13.056 1.00 43.00 H new ATOM 0 HG1 THR A 63 16.783 0.347 -11.443 1.00 64.53 H new ATOM 0 HG21 THR A 63 18.323 -0.348 -13.007 1.00 24.51 H new ATOM 0 HG22 THR A 63 17.747 -0.624 -14.668 1.00 24.51 H new ATOM 0 HG23 THR A 63 17.840 1.032 -14.022 1.00 24.51 H new ATOM 857 N GLN A 64 13.346 -1.094 -13.562 1.00 24.34 N ATOM 858 CA GLN A 64 12.047 -1.467 -13.034 1.00 31.32 C ATOM 859 C GLN A 64 12.235 -1.976 -11.596 1.00 62.21 C ATOM 860 O GLN A 64 11.435 -2.761 -11.093 1.00 43.33 O ATOM 861 CB GLN A 64 11.390 -2.451 -14.020 1.00 12.12 C ATOM 862 CG GLN A 64 11.177 -1.927 -15.424 1.00 11.55 C ATOM 863 CD GLN A 64 10.270 -0.696 -15.540 1.00 14.14 C ATOM 864 OE1 GLN A 64 9.052 -0.794 -15.408 1.00 52.11 O ATOM 865 NE2 GLN A 64 10.808 0.489 -15.796 1.00 63.44 N ATOM 0 H GLN A 64 13.970 -1.892 -13.684 1.00 24.34 H new ATOM 0 HA GLN A 64 11.353 -0.630 -12.954 1.00 31.32 H new ATOM 0 HB2 GLN A 64 12.007 -3.348 -14.076 1.00 12.12 H new ATOM 0 HB3 GLN A 64 10.425 -2.754 -13.614 1.00 12.12 H new ATOM 0 HG2 GLN A 64 12.149 -1.682 -15.853 1.00 11.55 H new ATOM 0 HG3 GLN A 64 10.753 -2.727 -16.031 1.00 11.55 H new ATOM 0 HE21 GLN A 64 11.818 0.577 -15.907 1.00 63.44 H new ATOM 0 HE22 GLN A 64 10.212 1.312 -15.882 1.00 63.44 H new ATOM 872 N LEU A 65 13.311 -1.520 -10.950 1.00 34.42 N ATOM 873 CA LEU A 65 13.829 -1.932 -9.655 1.00 60.11 C ATOM 874 C LEU A 65 13.357 -0.950 -8.610 1.00 64.10 C ATOM 875 O LEU A 65 13.106 0.222 -8.901 1.00 53.33 O ATOM 876 CB LEU A 65 15.335 -2.012 -9.737 1.00 11.14 C ATOM 877 CG LEU A 65 15.770 -3.238 -10.575 1.00 51.11 C ATOM 878 CD1 LEU A 65 16.946 -3.864 -9.875 1.00 54.31 C ATOM 879 CD2 LEU A 65 14.795 -4.424 -10.678 1.00 22.22 C ATOM 0 H LEU A 65 13.889 -0.788 -11.362 1.00 34.42 H new ATOM 0 HA LEU A 65 13.461 -2.918 -9.372 1.00 60.11 H new ATOM 0 HB2 LEU A 65 15.729 -1.100 -10.185 1.00 11.14 H new ATOM 0 HB3 LEU A 65 15.756 -2.082 -8.734 1.00 11.14 H new ATOM 0 HG LEU A 65 15.911 -2.820 -11.572 1.00 51.11 H new ATOM 0 HD11 LEU A 65 17.283 -4.735 -10.437 1.00 54.31 H new ATOM 0 HD12 LEU A 65 17.757 -3.139 -9.808 1.00 54.31 H new ATOM 0 HD13 LEU A 65 16.651 -4.172 -8.872 1.00 54.31 H new ATOM 0 HD21 LEU A 65 15.237 -5.206 -11.296 1.00 22.22 H new ATOM 0 HD22 LEU A 65 14.595 -4.818 -9.682 1.00 22.22 H new ATOM 0 HD23 LEU A 65 13.861 -4.089 -11.130 1.00 22.22 H new ATOM 890 N ASN A 66 13.186 -1.471 -7.406 1.00 62.21 N ATOM 891 CA ASN A 66 12.539 -0.728 -6.335 1.00 32.43 C ATOM 892 C ASN A 66 13.582 0.096 -5.591 1.00 33.33 C ATOM 893 O ASN A 66 14.682 -0.365 -5.291 1.00 52.53 O ATOM 894 CB ASN A 66 11.778 -1.611 -5.342 1.00 21.45 C ATOM 895 CG ASN A 66 11.022 -2.779 -5.946 1.00 33.44 C ATOM 896 OD1 ASN A 66 10.362 -2.650 -6.968 1.00 35.33 O ATOM 897 ND2 ASN A 66 11.094 -3.928 -5.298 1.00 64.10 N ATOM 0 H ASN A 66 13.487 -2.410 -7.144 1.00 62.21 H new ATOM 0 HA ASN A 66 11.795 -0.086 -6.807 1.00 32.43 H new ATOM 0 HB2 ASN A 66 12.488 -2.000 -4.612 1.00 21.45 H new ATOM 0 HB3 ASN A 66 11.070 -0.986 -4.797 1.00 21.45 H new ATOM 0 HD21 ASN A 66 10.590 -4.743 -5.647 1.00 64.10 H new ATOM 0 HD22 ASN A 66 11.654 -4.000 -4.449 1.00 64.10 H new ATOM 903 N ARG A 67 13.211 1.305 -5.194 1.00 40.31 N ATOM 904 CA ARG A 67 14.069 2.268 -4.516 1.00 13.02 C ATOM 905 C ARG A 67 14.252 1.956 -3.025 1.00 13.24 C ATOM 906 O ARG A 67 14.775 2.813 -2.312 1.00 15.34 O ATOM 907 CB ARG A 67 13.471 3.665 -4.730 1.00 51.31 C ATOM 908 CG ARG A 67 13.532 4.115 -6.196 1.00 43.42 C ATOM 909 CD ARG A 67 12.675 5.365 -6.380 1.00 62.54 C ATOM 910 NE ARG A 67 13.173 6.530 -5.628 1.00 33.22 N ATOM 911 CZ ARG A 67 12.739 7.779 -5.816 1.00 35.52 C ATOM 912 NH1 ARG A 67 12.027 8.102 -6.886 1.00 55.42 N ATOM 913 NH2 ARG A 67 13.011 8.706 -4.915 1.00 15.02 N ATOM 0 H ARG A 67 12.265 1.657 -5.341 1.00 40.31 H new ATOM 0 HA ARG A 67 15.070 2.214 -4.944 1.00 13.02 H new ATOM 0 HB2 ARG A 67 12.433 3.667 -4.396 1.00 51.31 H new ATOM 0 HB3 ARG A 67 14.007 4.384 -4.110 1.00 51.31 H new ATOM 0 HG2 ARG A 67 14.563 4.323 -6.481 1.00 43.42 H new ATOM 0 HG3 ARG A 67 13.175 3.317 -6.848 1.00 43.42 H new ATOM 0 HD2 ARG A 67 12.634 5.616 -7.440 1.00 62.54 H new ATOM 0 HD3 ARG A 67 11.655 5.147 -6.065 1.00 62.54 H new ATOM 0 HE ARG A 67 13.892 6.373 -4.922 1.00 33.22 H new ATOM 0 HH11 ARG A 67 11.802 7.392 -7.582 1.00 55.42 H new ATOM 0 HH12 ARG A 67 11.704 9.061 -7.013 1.00 55.42 H new ATOM 0 HH21 ARG A 67 13.549 8.466 -4.083 1.00 15.02 H new ATOM 0 HH22 ARG A 67 12.683 9.662 -5.052 1.00 15.02 H new ATOM 924 N GLY A 68 13.825 0.790 -2.529 1.00 53.00 N ATOM 925 CA GLY A 68 14.018 0.408 -1.136 1.00 40.23 C ATOM 926 C GLY A 68 12.892 0.892 -0.229 1.00 32.12 C ATOM 927 O GLY A 68 13.049 0.865 0.994 1.00 32.23 O ATOM 0 H GLY A 68 13.337 0.089 -3.086 1.00 53.00 H new ATOM 0 HA2 GLY A 68 14.092 -0.677 -1.069 1.00 40.23 H new ATOM 0 HA3 GLY A 68 14.965 0.814 -0.780 1.00 40.23 H new ATOM 931 N PHE A 69 11.766 1.330 -0.799 1.00 55.41 N ATOM 932 CA PHE A 69 10.557 1.682 -0.064 1.00 2.23 C ATOM 933 C PHE A 69 9.319 1.291 -0.869 1.00 42.31 C ATOM 934 O PHE A 69 9.426 0.847 -2.018 1.00 42.22 O ATOM 935 CB PHE A 69 10.571 3.178 0.292 1.00 32.30 C ATOM 936 CG PHE A 69 10.226 4.141 -0.835 1.00 32.05 C ATOM 937 CD1 PHE A 69 11.169 4.461 -1.829 1.00 34.53 C ATOM 938 CD2 PHE A 69 8.958 4.750 -0.864 1.00 60.31 C ATOM 939 CE1 PHE A 69 10.845 5.384 -2.844 1.00 21.32 C ATOM 940 CE2 PHE A 69 8.640 5.687 -1.862 1.00 2.13 C ATOM 941 CZ PHE A 69 9.581 5.999 -2.857 1.00 34.11 C ATOM 0 H PHE A 69 11.672 1.451 -1.807 1.00 55.41 H new ATOM 0 HA PHE A 69 10.524 1.125 0.872 1.00 2.23 H new ATOM 0 HB2 PHE A 69 9.869 3.342 1.110 1.00 32.30 H new ATOM 0 HB3 PHE A 69 11.562 3.431 0.668 1.00 32.30 H new ATOM 0 HD1 PHE A 69 12.145 3.998 -1.814 1.00 34.53 H new ATOM 0 HD2 PHE A 69 8.224 4.496 -0.114 1.00 60.31 H new ATOM 0 HE1 PHE A 69 11.568 5.619 -3.611 1.00 21.32 H new ATOM 0 HE2 PHE A 69 7.673 6.167 -1.864 1.00 2.13 H new ATOM 0 HZ PHE A 69 9.334 6.710 -3.631 1.00 34.11 H new ATOM 950 N ALA A 70 8.135 1.443 -0.290 1.00 13.34 N ATOM 951 CA ALA A 70 6.856 1.362 -0.987 1.00 12.23 C ATOM 952 C ALA A 70 5.822 2.140 -0.170 1.00 43.30 C ATOM 953 O ALA A 70 6.116 2.563 0.951 1.00 1.24 O ATOM 954 CB ALA A 70 6.462 -0.108 -1.200 1.00 15.34 C ATOM 0 H ALA A 70 8.034 1.632 0.707 1.00 13.34 H new ATOM 0 HA ALA A 70 6.919 1.808 -1.979 1.00 12.23 H new ATOM 0 HB1 ALA A 70 5.506 -0.157 -1.721 1.00 15.34 H new ATOM 0 HB2 ALA A 70 7.226 -0.607 -1.796 1.00 15.34 H new ATOM 0 HB3 ALA A 70 6.374 -0.605 -0.234 1.00 15.34 H new ATOM 960 N PHE A 71 4.630 2.328 -0.731 1.00 71.13 N ATOM 961 CA PHE A 71 3.593 3.232 -0.245 1.00 71.00 C ATOM 962 C PHE A 71 2.293 2.448 -0.049 1.00 74.03 C ATOM 963 O PHE A 71 2.039 1.497 -0.791 1.00 74.24 O ATOM 964 CB PHE A 71 3.399 4.340 -1.300 1.00 44.32 C ATOM 965 CG PHE A 71 3.759 5.752 -0.873 1.00 64.22 C ATOM 966 CD1 PHE A 71 3.383 6.261 0.388 1.00 2.12 C ATOM 967 CD2 PHE A 71 4.442 6.587 -1.779 1.00 42.43 C ATOM 968 CE1 PHE A 71 3.669 7.593 0.726 1.00 62.20 C ATOM 969 CE2 PHE A 71 4.734 7.917 -1.435 1.00 55.42 C ATOM 970 CZ PHE A 71 4.348 8.422 -0.182 1.00 35.23 C ATOM 0 H PHE A 71 4.349 1.831 -1.576 1.00 71.13 H new ATOM 0 HA PHE A 71 3.877 3.676 0.709 1.00 71.00 H new ATOM 0 HB2 PHE A 71 3.996 4.086 -2.176 1.00 44.32 H new ATOM 0 HB3 PHE A 71 2.355 4.334 -1.613 1.00 44.32 H new ATOM 0 HD1 PHE A 71 2.873 5.624 1.096 1.00 2.12 H new ATOM 0 HD2 PHE A 71 4.742 6.203 -2.743 1.00 42.43 H new ATOM 0 HE1 PHE A 71 3.366 7.982 1.687 1.00 62.20 H new ATOM 0 HE2 PHE A 71 5.256 8.553 -2.135 1.00 55.42 H new ATOM 0 HZ PHE A 71 4.573 9.445 0.082 1.00 35.23 H new ATOM 979 N ILE A 72 1.451 2.865 0.899 1.00 1.24 N ATOM 980 CA ILE A 72 0.164 2.258 1.210 1.00 13.52 C ATOM 981 C ILE A 72 -0.839 3.413 1.368 1.00 32.45 C ATOM 982 O ILE A 72 -0.622 4.308 2.189 1.00 12.32 O ATOM 983 CB ILE A 72 0.308 1.373 2.474 1.00 3.24 C ATOM 984 CG1 ILE A 72 1.077 0.062 2.189 1.00 52.14 C ATOM 985 CG2 ILE A 72 -1.070 1.061 3.072 1.00 11.43 C ATOM 986 CD1 ILE A 72 1.364 -0.761 3.455 1.00 3.13 C ATOM 0 H ILE A 72 1.660 3.668 1.493 1.00 1.24 H new ATOM 0 HA ILE A 72 -0.197 1.593 0.425 1.00 13.52 H new ATOM 0 HB ILE A 72 0.893 1.942 3.197 1.00 3.24 H new ATOM 0 HG12 ILE A 72 0.500 -0.546 1.492 1.00 52.14 H new ATOM 0 HG13 ILE A 72 2.020 0.301 1.698 1.00 52.14 H new ATOM 0 HG21 ILE A 72 -0.949 0.439 3.959 1.00 11.43 H new ATOM 0 HG22 ILE A 72 -1.567 1.992 3.347 1.00 11.43 H new ATOM 0 HG23 ILE A 72 -1.674 0.531 2.336 1.00 11.43 H new ATOM 0 HD11 ILE A 72 1.906 -1.667 3.185 1.00 3.13 H new ATOM 0 HD12 ILE A 72 1.967 -0.170 4.144 1.00 3.13 H new ATOM 0 HD13 ILE A 72 0.423 -1.030 3.935 1.00 3.13 H new ATOM 997 N GLN A 73 -1.915 3.416 0.572 1.00 31.04 N ATOM 998 CA GLN A 73 -3.108 4.245 0.782 1.00 1.24 C ATOM 999 C GLN A 73 -4.111 3.436 1.608 1.00 41.13 C ATOM 1000 O GLN A 73 -4.359 2.279 1.268 1.00 63.32 O ATOM 1001 CB GLN A 73 -3.747 4.620 -0.570 1.00 61.02 C ATOM 1002 CG GLN A 73 -3.144 5.898 -1.168 1.00 11.14 C ATOM 1003 CD GLN A 73 -3.572 6.117 -2.618 1.00 41.54 C ATOM 1004 OE1 GLN A 73 -4.523 6.846 -2.908 1.00 42.23 O ATOM 1005 NE2 GLN A 73 -2.870 5.512 -3.562 1.00 14.25 N ATOM 0 H GLN A 73 -1.982 2.826 -0.258 1.00 31.04 H new ATOM 0 HA GLN A 73 -2.831 5.163 1.301 1.00 1.24 H new ATOM 0 HB2 GLN A 73 -3.615 3.797 -1.272 1.00 61.02 H new ATOM 0 HB3 GLN A 73 -4.820 4.756 -0.436 1.00 61.02 H new ATOM 0 HG2 GLN A 73 -3.448 6.756 -0.568 1.00 11.14 H new ATOM 0 HG3 GLN A 73 -2.057 5.843 -1.117 1.00 11.14 H new ATOM 0 HE21 GLN A 73 -2.085 4.911 -3.308 1.00 14.25 H new ATOM 0 HE22 GLN A 73 -3.113 5.646 -4.543 1.00 14.25 H new ATOM 1012 N LEU A 74 -4.697 4.049 2.640 1.00 23.45 N ATOM 1013 CA LEU A 74 -5.733 3.534 3.547 1.00 63.13 C ATOM 1014 C LEU A 74 -6.737 4.679 3.761 1.00 32.32 C ATOM 1015 O LEU A 74 -6.405 5.832 3.473 1.00 72.11 O ATOM 1016 CB LEU A 74 -5.084 3.144 4.901 1.00 74.14 C ATOM 1017 CG LEU A 74 -4.860 1.649 5.209 1.00 44.44 C ATOM 1018 CD1 LEU A 74 -6.114 0.985 5.762 1.00 74.13 C ATOM 1019 CD2 LEU A 74 -4.358 0.841 4.022 1.00 45.11 C ATOM 0 H LEU A 74 -4.437 5.004 2.886 1.00 23.45 H new ATOM 0 HA LEU A 74 -6.224 2.653 3.134 1.00 63.13 H new ATOM 0 HB2 LEU A 74 -4.117 3.643 4.960 1.00 74.14 H new ATOM 0 HB3 LEU A 74 -5.705 3.557 5.697 1.00 74.14 H new ATOM 0 HG LEU A 74 -4.076 1.647 5.966 1.00 44.44 H new ATOM 0 HD11 LEU A 74 -5.910 -0.066 5.964 1.00 74.13 H new ATOM 0 HD12 LEU A 74 -6.411 1.481 6.686 1.00 74.13 H new ATOM 0 HD13 LEU A 74 -6.920 1.064 5.032 1.00 74.13 H new ATOM 0 HD21 LEU A 74 -4.226 -0.199 4.320 1.00 45.11 H new ATOM 0 HD22 LEU A 74 -5.084 0.897 3.211 1.00 45.11 H new ATOM 0 HD23 LEU A 74 -3.404 1.246 3.684 1.00 45.11 H new ATOM 1030 N SER A 75 -7.929 4.407 4.297 1.00 5.33 N ATOM 1031 CA SER A 75 -8.852 5.447 4.771 1.00 64.35 C ATOM 1032 C SER A 75 -8.378 6.004 6.128 1.00 73.24 C ATOM 1033 O SER A 75 -7.484 5.417 6.728 1.00 51.11 O ATOM 1034 CB SER A 75 -10.262 4.859 4.812 1.00 3.42 C ATOM 1035 OG SER A 75 -10.584 4.313 3.543 1.00 23.43 O ATOM 0 H SER A 75 -8.284 3.458 4.416 1.00 5.33 H new ATOM 0 HA SER A 75 -8.867 6.298 4.091 1.00 64.35 H new ATOM 0 HB2 SER A 75 -10.323 4.086 5.578 1.00 3.42 H new ATOM 0 HB3 SER A 75 -10.982 5.632 5.081 1.00 3.42 H new ATOM 0 HG SER A 75 -11.487 3.934 3.570 1.00 23.43 H new ATOM 1040 N THR A 76 -8.900 7.137 6.612 1.00 54.25 N ATOM 1041 CA THR A 76 -8.191 7.940 7.617 1.00 43.25 C ATOM 1042 C THR A 76 -7.998 7.191 8.944 1.00 65.11 C ATOM 1043 O THR A 76 -6.865 7.002 9.394 1.00 13.53 O ATOM 1044 CB THR A 76 -8.888 9.298 7.833 1.00 10.20 C ATOM 1045 OG1 THR A 76 -9.434 9.792 6.625 1.00 42.35 O ATOM 1046 CG2 THR A 76 -7.901 10.350 8.337 1.00 43.52 C ATOM 0 H THR A 76 -9.803 7.517 6.328 1.00 54.25 H new ATOM 0 HA THR A 76 -7.193 8.129 7.222 1.00 43.25 H new ATOM 0 HB THR A 76 -9.675 9.125 8.567 1.00 10.20 H new ATOM 0 HG1 THR A 76 -9.871 10.653 6.792 1.00 42.35 H new ATOM 0 HG21 THR A 76 -8.421 11.297 8.480 1.00 43.52 H new ATOM 0 HG22 THR A 76 -7.474 10.023 9.285 1.00 43.52 H new ATOM 0 HG23 THR A 76 -7.103 10.481 7.606 1.00 43.52 H new ATOM 1054 N ILE A 77 -9.095 6.750 9.567 1.00 53.34 N ATOM 1055 CA ILE A 77 -9.051 6.034 10.842 1.00 61.13 C ATOM 1056 C ILE A 77 -8.271 4.733 10.633 1.00 74.44 C ATOM 1057 O ILE A 77 -7.459 4.330 11.465 1.00 24.12 O ATOM 1058 CB ILE A 77 -10.491 5.778 11.348 1.00 42.54 C ATOM 1059 CG1 ILE A 77 -11.222 7.121 11.594 1.00 65.23 C ATOM 1060 CG2 ILE A 77 -10.472 4.922 12.627 1.00 4.24 C ATOM 1061 CD1 ILE A 77 -12.707 6.971 11.924 1.00 31.44 C ATOM 0 H ILE A 77 -10.038 6.880 9.200 1.00 53.34 H new ATOM 0 HA ILE A 77 -8.545 6.624 11.606 1.00 61.13 H new ATOM 0 HB ILE A 77 -11.036 5.227 10.581 1.00 42.54 H new ATOM 0 HG12 ILE A 77 -10.730 7.646 12.413 1.00 65.23 H new ATOM 0 HG13 ILE A 77 -11.119 7.746 10.707 1.00 65.23 H new ATOM 0 HG21 ILE A 77 -11.494 4.753 12.967 1.00 4.24 H new ATOM 0 HG22 ILE A 77 -9.997 3.964 12.417 1.00 4.24 H new ATOM 0 HG23 ILE A 77 -9.912 5.442 13.404 1.00 4.24 H new ATOM 0 HD11 ILE A 77 -13.146 7.956 12.082 1.00 31.44 H new ATOM 0 HD12 ILE A 77 -13.215 6.476 11.097 1.00 31.44 H new ATOM 0 HD13 ILE A 77 -12.820 6.374 12.829 1.00 31.44 H new ATOM 1072 N GLU A 78 -8.513 4.080 9.500 1.00 50.33 N ATOM 1073 CA GLU A 78 -7.955 2.779 9.200 1.00 23.03 C ATOM 1074 C GLU A 78 -6.435 2.878 9.030 1.00 50.42 C ATOM 1075 O GLU A 78 -5.717 1.996 9.483 1.00 4.34 O ATOM 1076 CB GLU A 78 -8.664 2.201 7.970 1.00 45.44 C ATOM 1077 CG GLU A 78 -10.145 1.961 8.276 1.00 31.14 C ATOM 1078 CD GLU A 78 -10.957 1.664 7.020 1.00 42.52 C ATOM 1079 OE1 GLU A 78 -10.561 0.764 6.247 1.00 74.04 O ATOM 1080 OE2 GLU A 78 -12.039 2.286 6.867 1.00 1.44 O ATOM 0 H GLU A 78 -9.110 4.450 8.760 1.00 50.33 H new ATOM 0 HA GLU A 78 -8.123 2.091 10.028 1.00 23.03 H new ATOM 0 HB2 GLU A 78 -8.566 2.887 7.129 1.00 45.44 H new ATOM 0 HB3 GLU A 78 -8.190 1.265 7.675 1.00 45.44 H new ATOM 0 HG2 GLU A 78 -10.239 1.127 8.972 1.00 31.14 H new ATOM 0 HG3 GLU A 78 -10.558 2.839 8.773 1.00 31.14 H new ATOM 1085 N ALA A 79 -5.925 3.969 8.458 1.00 74.44 N ATOM 1086 CA ALA A 79 -4.495 4.239 8.320 1.00 14.54 C ATOM 1087 C ALA A 79 -3.909 4.331 9.719 1.00 74.41 C ATOM 1088 O ALA A 79 -2.884 3.724 10.035 1.00 23.34 O ATOM 1089 CB ALA A 79 -4.255 5.554 7.552 1.00 51.25 C ATOM 0 H ALA A 79 -6.510 4.708 8.068 1.00 74.44 H new ATOM 0 HA ALA A 79 -4.016 3.440 7.754 1.00 14.54 H new ATOM 0 HB1 ALA A 79 -3.183 5.733 7.462 1.00 51.25 H new ATOM 0 HB2 ALA A 79 -4.695 5.480 6.557 1.00 51.25 H new ATOM 0 HB3 ALA A 79 -4.717 6.380 8.092 1.00 51.25 H new ATOM 1095 N ALA A 80 -4.576 5.120 10.560 1.00 61.23 N ATOM 1096 CA ALA A 80 -4.107 5.402 11.888 1.00 4.24 C ATOM 1097 C ALA A 80 -4.072 4.145 12.766 1.00 45.21 C ATOM 1098 O ALA A 80 -3.198 4.074 13.636 1.00 5.34 O ATOM 1099 CB ALA A 80 -4.984 6.498 12.503 1.00 3.11 C ATOM 0 H ALA A 80 -5.458 5.576 10.325 1.00 61.23 H new ATOM 0 HA ALA A 80 -3.078 5.755 11.830 1.00 4.24 H new ATOM 0 HB1 ALA A 80 -4.636 6.719 13.512 1.00 3.11 H new ATOM 0 HB2 ALA A 80 -4.923 7.399 11.892 1.00 3.11 H new ATOM 0 HB3 ALA A 80 -6.018 6.157 12.543 1.00 3.11 H new ATOM 1105 N GLN A 81 -4.988 3.185 12.590 1.00 10.54 N ATOM 1106 CA GLN A 81 -5.016 1.956 13.385 1.00 44.42 C ATOM 1107 C GLN A 81 -4.091 0.881 12.805 1.00 62.31 C ATOM 1108 O GLN A 81 -3.438 0.179 13.578 1.00 73.35 O ATOM 1109 CB GLN A 81 -6.459 1.445 13.579 1.00 65.42 C ATOM 1110 CG GLN A 81 -7.038 0.667 12.388 1.00 22.33 C ATOM 1111 CD GLN A 81 -8.514 0.296 12.532 1.00 43.14 C ATOM 1112 OE1 GLN A 81 -9.132 0.462 13.586 1.00 65.13 O ATOM 1113 NE2 GLN A 81 -9.126 -0.236 11.484 1.00 24.20 N ATOM 0 H GLN A 81 -5.730 3.240 11.892 1.00 10.54 H new ATOM 0 HA GLN A 81 -4.628 2.196 14.375 1.00 44.42 H new ATOM 0 HB2 GLN A 81 -6.486 0.804 14.460 1.00 65.42 H new ATOM 0 HB3 GLN A 81 -7.106 2.298 13.785 1.00 65.42 H new ATOM 0 HG2 GLN A 81 -6.913 1.264 11.485 1.00 22.33 H new ATOM 0 HG3 GLN A 81 -6.459 -0.246 12.250 1.00 22.33 H new ATOM 0 HE21 GLN A 81 -8.616 -0.374 10.611 1.00 24.20 H new ATOM 0 HE22 GLN A 81 -10.107 -0.508 11.550 1.00 24.20 H new ATOM 1120 N LEU A 82 -4.025 0.742 11.470 1.00 1.52 N ATOM 1121 CA LEU A 82 -3.319 -0.357 10.800 1.00 4.23 C ATOM 1122 C LEU A 82 -1.857 -0.384 11.207 1.00 33.03 C ATOM 1123 O LEU A 82 -1.318 -1.465 11.437 1.00 64.05 O ATOM 1124 CB LEU A 82 -3.428 -0.274 9.260 1.00 25.44 C ATOM 1125 CG LEU A 82 -4.340 -1.331 8.603 1.00 52.13 C ATOM 1126 CD1 LEU A 82 -3.715 -2.726 8.699 1.00 64.32 C ATOM 1127 CD2 LEU A 82 -5.762 -1.379 9.174 1.00 3.31 C ATOM 0 H LEU A 82 -4.465 1.396 10.823 1.00 1.52 H new ATOM 0 HA LEU A 82 -3.803 -1.280 11.119 1.00 4.23 H new ATOM 0 HB2 LEU A 82 -3.796 0.716 8.992 1.00 25.44 H new ATOM 0 HB3 LEU A 82 -2.428 -0.368 8.836 1.00 25.44 H new ATOM 0 HG LEU A 82 -4.427 -1.020 7.562 1.00 52.13 H new ATOM 0 HD11 LEU A 82 -4.376 -3.454 8.229 1.00 64.32 H new ATOM 0 HD12 LEU A 82 -2.751 -2.729 8.189 1.00 64.32 H new ATOM 0 HD13 LEU A 82 -3.572 -2.989 9.747 1.00 64.32 H new ATOM 0 HD21 LEU A 82 -6.336 -2.148 8.657 1.00 3.31 H new ATOM 0 HD22 LEU A 82 -5.719 -1.612 10.238 1.00 3.31 H new ATOM 0 HD23 LEU A 82 -6.243 -0.411 9.034 1.00 3.31 H new ATOM 1138 N LEU A 83 -1.244 0.794 11.354 1.00 30.41 N ATOM 1139 CA LEU A 83 0.133 0.958 11.805 1.00 53.34 C ATOM 1140 C LEU A 83 0.443 0.090 13.028 1.00 64.41 C ATOM 1141 O LEU A 83 1.536 -0.460 13.136 1.00 43.22 O ATOM 1142 CB LEU A 83 0.338 2.438 12.159 1.00 5.52 C ATOM 1143 CG LEU A 83 1.790 2.773 12.544 1.00 2.43 C ATOM 1144 CD1 LEU A 83 2.688 2.813 11.305 1.00 21.02 C ATOM 1145 CD2 LEU A 83 1.810 4.125 13.253 1.00 30.34 C ATOM 0 H LEU A 83 -1.708 1.681 11.156 1.00 30.41 H new ATOM 0 HA LEU A 83 0.807 0.643 11.008 1.00 53.34 H new ATOM 0 HB2 LEU A 83 0.043 3.053 11.308 1.00 5.52 H new ATOM 0 HB3 LEU A 83 -0.321 2.702 12.986 1.00 5.52 H new ATOM 0 HG LEU A 83 2.174 1.999 13.208 1.00 2.43 H new ATOM 0 HD11 LEU A 83 3.709 3.052 11.603 1.00 21.02 H new ATOM 0 HD12 LEU A 83 2.672 1.841 10.812 1.00 21.02 H new ATOM 0 HD13 LEU A 83 2.324 3.575 10.616 1.00 21.02 H new ATOM 0 HD21 LEU A 83 2.834 4.375 13.532 1.00 30.34 H new ATOM 0 HD22 LEU A 83 1.418 4.892 12.585 1.00 30.34 H new ATOM 0 HD23 LEU A 83 1.192 4.075 14.150 1.00 30.34 H new ATOM 1156 N GLN A 84 -0.514 -0.024 13.945 1.00 2.34 N ATOM 1157 CA GLN A 84 -0.344 -0.679 15.229 1.00 65.04 C ATOM 1158 C GLN A 84 -0.397 -2.206 15.099 1.00 22.23 C ATOM 1159 O GLN A 84 0.010 -2.926 16.009 1.00 53.42 O ATOM 1160 CB GLN A 84 -1.439 -0.118 16.153 1.00 10.24 C ATOM 1161 CG GLN A 84 -1.048 -0.106 17.629 1.00 23.03 C ATOM 1162 CD GLN A 84 -2.077 0.662 18.456 1.00 53.22 C ATOM 1163 OE1 GLN A 84 -3.167 0.160 18.726 1.00 41.12 O ATOM 1164 NE2 GLN A 84 -1.782 1.888 18.850 1.00 41.24 N ATOM 0 H GLN A 84 -1.453 0.349 13.807 1.00 2.34 H new ATOM 0 HA GLN A 84 0.640 -0.474 15.650 1.00 65.04 H new ATOM 0 HB2 GLN A 84 -1.680 0.898 15.841 1.00 10.24 H new ATOM 0 HB3 GLN A 84 -2.345 -0.712 16.031 1.00 10.24 H new ATOM 0 HG2 GLN A 84 -0.969 -1.129 17.997 1.00 23.03 H new ATOM 0 HG3 GLN A 84 -0.066 0.352 17.746 1.00 23.03 H new ATOM 0 HE21 GLN A 84 -0.875 2.293 18.620 1.00 41.24 H new ATOM 0 HE22 GLN A 84 -2.462 2.429 19.384 1.00 41.24 H new ATOM 1171 N ILE A 85 -0.881 -2.710 13.963 1.00 21.40 N ATOM 1172 CA ILE A 85 -0.976 -4.126 13.647 1.00 5.13 C ATOM 1173 C ILE A 85 0.299 -4.564 12.920 1.00 3.14 C ATOM 1174 O ILE A 85 0.828 -5.628 13.225 1.00 23.02 O ATOM 1175 CB ILE A 85 -2.242 -4.404 12.812 1.00 64.12 C ATOM 1176 CG1 ILE A 85 -3.504 -3.794 13.469 1.00 62.23 C ATOM 1177 CG2 ILE A 85 -2.396 -5.929 12.644 1.00 31.34 C ATOM 1178 CD1 ILE A 85 -4.795 -4.058 12.691 1.00 43.21 C ATOM 0 H ILE A 85 -1.230 -2.115 13.212 1.00 21.40 H new ATOM 0 HA ILE A 85 -1.064 -4.709 14.564 1.00 5.13 H new ATOM 0 HB ILE A 85 -2.135 -3.932 11.836 1.00 64.12 H new ATOM 0 HG12 ILE A 85 -3.609 -4.198 14.476 1.00 62.23 H new ATOM 0 HG13 ILE A 85 -3.365 -2.718 13.570 1.00 62.23 H new ATOM 0 HG21 ILE A 85 -3.288 -6.142 12.055 1.00 31.34 H new ATOM 0 HG22 ILE A 85 -1.520 -6.329 12.134 1.00 31.34 H new ATOM 0 HG23 ILE A 85 -2.489 -6.396 13.625 1.00 31.34 H new ATOM 0 HD11 ILE A 85 -5.635 -3.600 13.213 1.00 43.21 H new ATOM 0 HD12 ILE A 85 -4.712 -3.630 11.692 1.00 43.21 H new ATOM 0 HD13 ILE A 85 -4.959 -5.133 12.613 1.00 43.21 H new ATOM 1189 N LEU A 86 0.828 -3.735 12.008 1.00 32.02 N ATOM 1190 CA LEU A 86 2.027 -3.978 11.178 1.00 3.43 C ATOM 1191 C LEU A 86 3.286 -4.269 12.020 1.00 10.13 C ATOM 1192 O LEU A 86 4.307 -4.683 11.475 1.00 62.31 O ATOM 1193 CB LEU A 86 2.280 -2.737 10.296 1.00 10.44 C ATOM 1194 CG LEU A 86 1.671 -2.732 8.886 1.00 10.40 C ATOM 1195 CD1 LEU A 86 0.145 -2.687 8.876 1.00 34.31 C ATOM 1196 CD2 LEU A 86 2.155 -1.492 8.134 1.00 71.34 C ATOM 0 H LEU A 86 0.410 -2.825 11.816 1.00 32.02 H new ATOM 0 HA LEU A 86 1.835 -4.862 10.570 1.00 3.43 H new ATOM 0 HB2 LEU A 86 1.903 -1.864 10.828 1.00 10.44 H new ATOM 0 HB3 LEU A 86 3.358 -2.609 10.197 1.00 10.44 H new ATOM 0 HG LEU A 86 1.990 -3.664 8.419 1.00 10.40 H new ATOM 0 HD11 LEU A 86 -0.212 -2.686 7.846 1.00 34.31 H new ATOM 0 HD12 LEU A 86 -0.248 -3.561 9.396 1.00 34.31 H new ATOM 0 HD13 LEU A 86 -0.196 -1.782 9.379 1.00 34.31 H new ATOM 0 HD21 LEU A 86 1.726 -1.483 7.132 1.00 71.34 H new ATOM 0 HD22 LEU A 86 1.842 -0.596 8.670 1.00 71.34 H new ATOM 0 HD23 LEU A 86 3.242 -1.511 8.062 1.00 71.34 H new ATOM 1207 N GLN A 87 3.220 -4.074 13.335 1.00 5.10 N ATOM 1208 CA GLN A 87 4.263 -4.332 14.317 1.00 63.45 C ATOM 1209 C GLN A 87 4.309 -5.804 14.786 1.00 63.22 C ATOM 1210 O GLN A 87 5.150 -6.162 15.619 1.00 5.53 O ATOM 1211 CB GLN A 87 3.999 -3.395 15.499 1.00 65.31 C ATOM 1212 CG GLN A 87 4.078 -1.902 15.134 1.00 51.31 C ATOM 1213 CD GLN A 87 5.492 -1.338 14.993 1.00 11.21 C ATOM 1214 OE1 GLN A 87 6.501 -2.025 15.151 1.00 43.33 O ATOM 1215 NE2 GLN A 87 5.608 -0.057 14.679 1.00 63.43 N ATOM 0 H GLN A 87 2.374 -3.705 13.770 1.00 5.10 H new ATOM 0 HA GLN A 87 5.237 -4.147 13.863 1.00 63.45 H new ATOM 0 HB2 GLN A 87 3.011 -3.609 15.907 1.00 65.31 H new ATOM 0 HB3 GLN A 87 4.722 -3.606 16.287 1.00 65.31 H new ATOM 0 HG2 GLN A 87 3.547 -1.746 14.195 1.00 51.31 H new ATOM 0 HG3 GLN A 87 3.551 -1.330 15.897 1.00 51.31 H new ATOM 0 HE21 GLN A 87 4.773 0.514 14.548 1.00 63.43 H new ATOM 0 HE22 GLN A 87 6.533 0.359 14.568 1.00 63.43 H new ATOM 1222 N ALA A 88 3.398 -6.668 14.317 1.00 31.31 N ATOM 1223 CA ALA A 88 3.112 -7.964 14.935 1.00 54.11 C ATOM 1224 C ALA A 88 3.164 -9.165 13.975 1.00 63.43 C ATOM 1225 O ALA A 88 2.654 -10.230 14.323 1.00 21.31 O ATOM 1226 CB ALA A 88 1.761 -7.855 15.660 1.00 23.10 C ATOM 0 H ALA A 88 2.834 -6.481 13.488 1.00 31.31 H new ATOM 0 HA ALA A 88 3.912 -8.180 15.643 1.00 54.11 H new ATOM 0 HB1 ALA A 88 1.523 -8.809 16.131 1.00 23.10 H new ATOM 0 HB2 ALA A 88 1.819 -7.079 16.423 1.00 23.10 H new ATOM 0 HB3 ALA A 88 0.982 -7.600 14.941 1.00 23.10 H new ATOM 1232 N LEU A 89 3.743 -9.027 12.778 1.00 43.24 N ATOM 1233 CA LEU A 89 3.830 -10.069 11.751 1.00 25.04 C ATOM 1234 C LEU A 89 5.258 -10.235 11.237 1.00 52.23 C ATOM 1235 O LEU A 89 6.120 -9.392 11.509 1.00 70.22 O ATOM 1236 CB LEU A 89 2.914 -9.709 10.571 1.00 73.24 C ATOM 1237 CG LEU A 89 2.883 -8.214 10.185 1.00 22.14 C ATOM 1238 CD1 LEU A 89 1.890 -7.445 11.055 1.00 70.05 C ATOM 1239 CD2 LEU A 89 4.227 -7.497 10.032 1.00 54.53 C ATOM 0 H LEU A 89 4.181 -8.153 12.487 1.00 43.24 H new ATOM 0 HA LEU A 89 3.516 -11.009 12.205 1.00 25.04 H new ATOM 0 HB2 LEU A 89 3.229 -10.285 9.701 1.00 73.24 H new ATOM 0 HB3 LEU A 89 1.899 -10.025 10.812 1.00 73.24 H new ATOM 0 HG LEU A 89 2.528 -8.219 9.155 1.00 22.14 H new ATOM 0 HD11 LEU A 89 1.887 -6.395 10.763 1.00 70.05 H new ATOM 0 HD12 LEU A 89 0.891 -7.861 10.922 1.00 70.05 H new ATOM 0 HD13 LEU A 89 2.182 -7.530 12.102 1.00 70.05 H new ATOM 0 HD21 LEU A 89 4.055 -6.456 9.760 1.00 54.53 H new ATOM 0 HD22 LEU A 89 4.772 -7.540 10.975 1.00 54.53 H new ATOM 0 HD23 LEU A 89 4.813 -7.984 9.252 1.00 54.53 H new ATOM 1250 N HIS A 90 5.489 -11.274 10.424 1.00 54.24 N ATOM 1251 CA HIS A 90 6.716 -11.423 9.651 1.00 45.42 C ATOM 1252 C HIS A 90 6.595 -12.482 8.527 1.00 4.13 C ATOM 1253 O HIS A 90 6.901 -13.649 8.773 1.00 73.03 O ATOM 1254 CB HIS A 90 7.920 -11.730 10.575 1.00 30.13 C ATOM 1255 CG HIS A 90 7.661 -12.745 11.674 1.00 34.11 C ATOM 1256 ND1 HIS A 90 7.431 -12.455 13.000 1.00 34.40 N ATOM 1257 CD2 HIS A 90 7.688 -14.108 11.561 1.00 54.42 C ATOM 1258 CE1 HIS A 90 7.343 -13.612 13.673 1.00 23.00 C ATOM 1259 NE2 HIS A 90 7.475 -14.655 12.831 1.00 63.05 N ATOM 0 H HIS A 90 4.823 -12.035 10.288 1.00 54.24 H new ATOM 0 HA HIS A 90 6.890 -10.466 9.159 1.00 45.42 H new ATOM 0 HB2 HIS A 90 8.745 -12.090 9.960 1.00 30.13 H new ATOM 0 HB3 HIS A 90 8.249 -10.798 11.036 1.00 30.13 H new ATOM 0 HD2 HIS A 90 7.846 -14.665 10.649 1.00 54.42 H new ATOM 0 HE1 HIS A 90 7.188 -13.695 14.739 1.00 23.00 H new ATOM 0 HE2 HIS A 90 7.429 -15.645 13.071 1.00 63.05 H new ATOM 1266 N PRO A 91 6.119 -12.165 7.309 1.00 32.43 N ATOM 1267 CA PRO A 91 5.984 -13.148 6.223 1.00 14.52 C ATOM 1268 C PRO A 91 7.342 -13.749 5.795 1.00 13.13 C ATOM 1269 O PRO A 91 8.393 -13.152 6.054 1.00 23.42 O ATOM 1270 CB PRO A 91 5.360 -12.360 5.065 1.00 32.03 C ATOM 1271 CG PRO A 91 5.961 -10.975 5.278 1.00 31.34 C ATOM 1272 CD PRO A 91 5.867 -10.831 6.798 1.00 70.42 C ATOM 0 HA PRO A 91 5.380 -13.999 6.538 1.00 14.52 H new ATOM 0 HB2 PRO A 91 5.627 -12.778 4.094 1.00 32.03 H new ATOM 0 HB3 PRO A 91 4.271 -12.347 5.118 1.00 32.03 H new ATOM 0 HG2 PRO A 91 6.990 -10.916 4.923 1.00 31.34 H new ATOM 0 HG3 PRO A 91 5.399 -10.200 4.757 1.00 31.34 H new ATOM 0 HD2 PRO A 91 6.600 -10.117 7.175 1.00 70.42 H new ATOM 0 HD3 PRO A 91 4.885 -10.469 7.102 1.00 70.42 H new ATOM 1277 N PRO A 92 7.348 -14.873 5.053 1.00 22.24 N ATOM 1278 CA PRO A 92 8.573 -15.511 4.566 1.00 41.42 C ATOM 1279 C PRO A 92 9.180 -14.819 3.336 1.00 51.41 C ATOM 1280 O PRO A 92 10.220 -15.251 2.842 1.00 10.10 O ATOM 1281 CB PRO A 92 8.160 -16.951 4.251 1.00 24.03 C ATOM 1282 CG PRO A 92 6.720 -16.788 3.774 1.00 50.34 C ATOM 1283 CD PRO A 92 6.185 -15.670 4.669 1.00 61.13 C ATOM 0 HA PRO A 92 9.363 -15.450 5.315 1.00 41.42 H new ATOM 0 HB2 PRO A 92 8.793 -17.396 3.483 1.00 24.03 H new ATOM 0 HB3 PRO A 92 8.226 -17.593 5.130 1.00 24.03 H new ATOM 0 HG2 PRO A 92 6.673 -16.518 2.719 1.00 50.34 H new ATOM 0 HG3 PRO A 92 6.149 -17.709 3.893 1.00 50.34 H new ATOM 0 HD2 PRO A 92 5.453 -15.062 4.138 1.00 61.13 H new ATOM 0 HD3 PRO A 92 5.684 -16.078 5.547 1.00 61.13 H new ATOM 1288 N LEU A 93 8.555 -13.751 2.832 1.00 24.42 N ATOM 1289 CA LEU A 93 8.862 -13.067 1.570 1.00 25.14 C ATOM 1290 C LEU A 93 10.139 -12.198 1.641 1.00 12.50 C ATOM 1291 O LEU A 93 10.277 -11.187 0.943 1.00 74.14 O ATOM 1292 CB LEU A 93 7.605 -12.269 1.163 1.00 32.11 C ATOM 1293 CG LEU A 93 7.214 -12.323 -0.328 1.00 13.14 C ATOM 1294 CD1 LEU A 93 8.235 -11.694 -1.277 1.00 31.40 C ATOM 1295 CD2 LEU A 93 6.887 -13.755 -0.762 1.00 23.13 C ATOM 0 H LEU A 93 7.775 -13.314 3.322 1.00 24.42 H new ATOM 0 HA LEU A 93 9.099 -13.802 0.801 1.00 25.14 H new ATOM 0 HB2 LEU A 93 6.763 -12.634 1.751 1.00 32.11 H new ATOM 0 HB3 LEU A 93 7.758 -11.226 1.439 1.00 32.11 H new ATOM 0 HG LEU A 93 6.319 -11.705 -0.407 1.00 13.14 H new ATOM 0 HD11 LEU A 93 7.877 -11.777 -2.303 1.00 31.40 H new ATOM 0 HD12 LEU A 93 8.368 -10.642 -1.023 1.00 31.40 H new ATOM 0 HD13 LEU A 93 9.189 -12.213 -1.182 1.00 31.40 H new ATOM 0 HD21 LEU A 93 6.615 -13.762 -1.817 1.00 23.13 H new ATOM 0 HD22 LEU A 93 7.759 -14.390 -0.608 1.00 23.13 H new ATOM 0 HD23 LEU A 93 6.054 -14.133 -0.170 1.00 23.13 H new ATOM 1306 N THR A 94 11.061 -12.542 2.531 1.00 45.14 N ATOM 1307 CA THR A 94 12.371 -11.939 2.660 1.00 24.33 C ATOM 1308 C THR A 94 13.231 -12.322 1.449 1.00 4.33 C ATOM 1309 O THR A 94 13.503 -13.498 1.205 1.00 14.54 O ATOM 1310 CB THR A 94 12.968 -12.369 4.005 1.00 23.43 C ATOM 1311 OG1 THR A 94 12.116 -11.924 5.052 1.00 43.54 O ATOM 1312 CG2 THR A 94 14.393 -11.881 4.196 1.00 31.42 C ATOM 0 H THR A 94 10.903 -13.285 3.212 1.00 45.14 H new ATOM 0 HA THR A 94 12.319 -10.850 2.661 1.00 24.33 H new ATOM 0 HB THR A 94 13.028 -13.457 4.023 1.00 23.43 H new ATOM 0 HG1 THR A 94 12.490 -12.196 5.916 1.00 43.54 H new ATOM 0 HG21 THR A 94 14.765 -12.214 5.165 1.00 31.42 H new ATOM 0 HG22 THR A 94 15.025 -12.286 3.406 1.00 31.42 H new ATOM 0 HG23 THR A 94 14.413 -10.792 4.155 1.00 31.42 H new ATOM 1320 N ILE A 95 13.673 -11.304 0.717 1.00 22.41 N ATOM 1321 CA ILE A 95 14.800 -11.339 -0.214 1.00 62.45 C ATOM 1322 C ILE A 95 16.008 -10.790 0.561 1.00 62.11 C ATOM 1323 O ILE A 95 15.805 -9.990 1.469 1.00 33.10 O ATOM 1324 CB ILE A 95 14.439 -10.506 -1.477 1.00 43.41 C ATOM 1325 CG1 ILE A 95 15.509 -10.566 -2.587 1.00 61.41 C ATOM 1326 CG2 ILE A 95 14.156 -9.021 -1.167 1.00 21.04 C ATOM 1327 CD1 ILE A 95 15.709 -11.966 -3.176 1.00 51.24 C ATOM 0 H ILE A 95 13.233 -10.385 0.758 1.00 22.41 H new ATOM 0 HA ILE A 95 15.037 -12.340 -0.573 1.00 62.45 H new ATOM 0 HB ILE A 95 13.527 -10.982 -1.837 1.00 43.41 H new ATOM 0 HG12 ILE A 95 15.228 -9.882 -3.387 1.00 61.41 H new ATOM 0 HG13 ILE A 95 16.458 -10.212 -2.184 1.00 61.41 H new ATOM 0 HG21 ILE A 95 13.911 -8.497 -2.091 1.00 21.04 H new ATOM 0 HG22 ILE A 95 13.318 -8.947 -0.474 1.00 21.04 H new ATOM 0 HG23 ILE A 95 15.040 -8.569 -0.717 1.00 21.04 H new ATOM 0 HD11 ILE A 95 16.476 -11.929 -3.950 1.00 51.24 H new ATOM 0 HD12 ILE A 95 16.021 -12.651 -2.388 1.00 51.24 H new ATOM 0 HD13 ILE A 95 14.772 -12.315 -3.610 1.00 51.24 H new ATOM 1338 N ASP A 96 17.251 -11.185 0.249 1.00 75.31 N ATOM 1339 CA ASP A 96 18.506 -10.624 0.804 1.00 31.22 C ATOM 1340 C ASP A 96 18.653 -10.737 2.334 1.00 11.10 C ATOM 1341 O ASP A 96 19.616 -10.227 2.915 1.00 1.22 O ATOM 1342 CB ASP A 96 18.701 -9.163 0.348 1.00 63.05 C ATOM 1343 CG ASP A 96 19.356 -9.046 -1.016 1.00 32.44 C ATOM 1344 OD1 ASP A 96 20.607 -9.048 -1.069 1.00 44.35 O ATOM 1345 OD2 ASP A 96 18.608 -8.809 -1.991 1.00 35.33 O ATOM 0 H ASP A 96 17.424 -11.933 -0.423 1.00 75.31 H new ATOM 0 HA ASP A 96 19.298 -11.252 0.395 1.00 31.22 H new ATOM 0 HB2 ASP A 96 17.732 -8.664 0.323 1.00 63.05 H new ATOM 0 HB3 ASP A 96 19.311 -8.638 1.083 1.00 63.05 H new ATOM 1349 N GLY A 97 17.717 -11.386 3.026 1.00 0.23 N ATOM 1350 CA GLY A 97 17.621 -11.326 4.484 1.00 44.14 C ATOM 1351 C GLY A 97 16.994 -10.009 4.966 1.00 40.53 C ATOM 1352 O GLY A 97 17.110 -9.667 6.142 1.00 15.44 O ATOM 0 H GLY A 97 17.003 -11.969 2.590 1.00 0.23 H new ATOM 0 HA2 GLY A 97 17.024 -12.164 4.843 1.00 44.14 H new ATOM 0 HA3 GLY A 97 18.615 -11.434 4.918 1.00 44.14 H new ATOM 1356 N LYS A 98 16.381 -9.233 4.069 1.00 41.11 N ATOM 1357 CA LYS A 98 15.817 -7.926 4.360 1.00 72.42 C ATOM 1358 C LYS A 98 14.495 -8.085 5.059 1.00 51.54 C ATOM 1359 O LYS A 98 13.725 -9.005 4.791 1.00 4.14 O ATOM 1360 CB LYS A 98 15.597 -7.115 3.079 1.00 75.45 C ATOM 1361 CG LYS A 98 16.912 -6.563 2.528 1.00 64.11 C ATOM 1362 CD LYS A 98 17.465 -5.389 3.358 1.00 12.33 C ATOM 1363 CE LYS A 98 17.426 -4.079 2.570 1.00 63.02 C ATOM 1364 NZ LYS A 98 18.641 -3.882 1.764 1.00 64.55 N ATOM 0 H LYS A 98 16.263 -9.510 3.095 1.00 41.11 H new ATOM 0 HA LYS A 98 16.524 -7.395 4.997 1.00 72.42 H new ATOM 0 HB2 LYS A 98 15.123 -7.745 2.326 1.00 75.45 H new ATOM 0 HB3 LYS A 98 14.913 -6.291 3.283 1.00 75.45 H new ATOM 0 HG2 LYS A 98 17.652 -7.362 2.501 1.00 64.11 H new ATOM 0 HG3 LYS A 98 16.760 -6.234 1.500 1.00 64.11 H new ATOM 0 HD2 LYS A 98 16.882 -5.282 4.273 1.00 12.33 H new ATOM 0 HD3 LYS A 98 18.491 -5.605 3.657 1.00 12.33 H new ATOM 0 HE2 LYS A 98 16.553 -4.075 1.917 1.00 63.02 H new ATOM 0 HE3 LYS A 98 17.310 -3.244 3.261 1.00 63.02 H new ATOM 0 HZ1 LYS A 98 19.161 -3.054 2.117 1.00 64.55 H new ATOM 0 HZ2 LYS A 98 19.245 -4.726 1.834 1.00 64.55 H new ATOM 0 HZ3 LYS A 98 18.377 -3.727 0.770 1.00 64.55 H new ATOM 1374 N THR A 99 14.181 -7.112 5.887 1.00 54.23 N ATOM 1375 CA THR A 99 13.032 -7.188 6.766 1.00 44.21 C ATOM 1376 C THR A 99 12.318 -5.850 6.725 1.00 4.31 C ATOM 1377 O THR A 99 12.915 -4.807 6.998 1.00 75.12 O ATOM 1378 CB THR A 99 13.466 -7.647 8.165 1.00 64.14 C ATOM 1379 OG1 THR A 99 14.664 -7.018 8.580 1.00 52.42 O ATOM 1380 CG2 THR A 99 13.670 -9.165 8.186 1.00 3.34 C ATOM 0 H THR A 99 14.714 -6.246 5.970 1.00 54.23 H new ATOM 0 HA THR A 99 12.315 -7.940 6.437 1.00 44.21 H new ATOM 0 HB THR A 99 12.671 -7.365 8.855 1.00 64.14 H new ATOM 0 HG1 THR A 99 14.907 -7.335 9.475 1.00 52.42 H new ATOM 0 HG21 THR A 99 13.978 -9.477 9.184 1.00 3.34 H new ATOM 0 HG22 THR A 99 12.736 -9.661 7.922 1.00 3.34 H new ATOM 0 HG23 THR A 99 14.442 -9.438 7.466 1.00 3.34 H new ATOM 1388 N ILE A 100 11.064 -5.886 6.282 1.00 24.04 N ATOM 1389 CA ILE A 100 10.230 -4.721 6.028 1.00 2.44 C ATOM 1390 C ILE A 100 10.044 -3.946 7.343 1.00 50.12 C ATOM 1391 O ILE A 100 10.131 -4.530 8.431 1.00 14.14 O ATOM 1392 CB ILE A 100 8.878 -5.193 5.432 1.00 1.13 C ATOM 1393 CG1 ILE A 100 8.989 -6.271 4.322 1.00 5.24 C ATOM 1394 CG2 ILE A 100 8.037 -4.025 4.902 1.00 62.22 C ATOM 1395 CD1 ILE A 100 9.682 -5.822 3.034 1.00 30.00 C ATOM 0 H ILE A 100 10.585 -6.764 6.083 1.00 24.04 H new ATOM 0 HA ILE A 100 10.698 -4.050 5.308 1.00 2.44 H new ATOM 0 HB ILE A 100 8.382 -5.659 6.283 1.00 1.13 H new ATOM 0 HG12 ILE A 100 9.529 -7.128 4.725 1.00 5.24 H new ATOM 0 HG13 ILE A 100 7.985 -6.615 4.073 1.00 5.24 H new ATOM 0 HG21 ILE A 100 7.100 -4.406 4.495 1.00 62.22 H new ATOM 0 HG22 ILE A 100 7.824 -3.332 5.716 1.00 62.22 H new ATOM 0 HG23 ILE A 100 8.588 -3.506 4.118 1.00 62.22 H new ATOM 0 HD11 ILE A 100 9.706 -6.650 2.326 1.00 30.00 H new ATOM 0 HD12 ILE A 100 9.133 -4.987 2.598 1.00 30.00 H new ATOM 0 HD13 ILE A 100 10.701 -5.508 3.260 1.00 30.00 H new ATOM 1406 N ASN A 101 9.743 -2.645 7.255 1.00 3.10 N ATOM 1407 CA ASN A 101 9.432 -1.809 8.410 1.00 33.04 C ATOM 1408 C ASN A 101 8.067 -1.136 8.310 1.00 51.15 C ATOM 1409 O ASN A 101 7.386 -1.198 7.282 1.00 51.55 O ATOM 1410 CB ASN A 101 10.542 -0.784 8.705 1.00 20.43 C ATOM 1411 CG ASN A 101 10.910 -0.903 10.179 1.00 31.02 C ATOM 1412 OD1 ASN A 101 10.069 -0.717 11.059 1.00 61.21 O ATOM 1413 ND2 ASN A 101 12.120 -1.313 10.483 1.00 24.42 N ATOM 0 H ASN A 101 9.709 -2.142 6.368 1.00 3.10 H new ATOM 0 HA ASN A 101 9.382 -2.491 9.259 1.00 33.04 H new ATOM 0 HB2 ASN A 101 11.413 -0.974 8.078 1.00 20.43 H new ATOM 0 HB3 ASN A 101 10.199 0.225 8.478 1.00 20.43 H new ATOM 0 HD21 ASN A 101 12.372 -1.481 11.457 1.00 24.42 H new ATOM 0 HD22 ASN A 101 12.808 -1.464 9.745 1.00 24.42 H new ATOM 1419 N VAL A 102 7.700 -0.484 9.409 1.00 62.13 N ATOM 1420 CA VAL A 102 6.395 0.027 9.762 1.00 32.31 C ATOM 1421 C VAL A 102 6.603 1.417 10.361 1.00 50.13 C ATOM 1422 O VAL A 102 7.337 1.579 11.334 1.00 50.12 O ATOM 1423 CB VAL A 102 5.686 -1.011 10.661 1.00 13.21 C ATOM 1424 CG1 VAL A 102 6.553 -1.629 11.769 1.00 2.50 C ATOM 1425 CG2 VAL A 102 4.425 -0.412 11.296 1.00 34.30 C ATOM 0 H VAL A 102 8.382 -0.285 10.141 1.00 62.13 H new ATOM 0 HA VAL A 102 5.722 0.161 8.915 1.00 32.31 H new ATOM 0 HB VAL A 102 5.439 -1.824 9.979 1.00 13.21 H new ATOM 0 HG11 VAL A 102 5.959 -2.343 12.340 1.00 2.50 H new ATOM 0 HG12 VAL A 102 7.405 -2.141 11.321 1.00 2.50 H new ATOM 0 HG13 VAL A 102 6.911 -0.842 12.433 1.00 2.50 H new ATOM 0 HG21 VAL A 102 3.943 -1.161 11.924 1.00 34.30 H new ATOM 0 HG22 VAL A 102 4.698 0.450 11.904 1.00 34.30 H new ATOM 0 HG23 VAL A 102 3.736 -0.099 10.511 1.00 34.30 H new ATOM 1435 N GLU A 103 6.029 2.435 9.717 1.00 30.24 N ATOM 1436 CA GLU A 103 6.144 3.845 10.077 1.00 23.32 C ATOM 1437 C GLU A 103 4.950 4.576 9.438 1.00 33.42 C ATOM 1438 O GLU A 103 4.300 4.003 8.559 1.00 22.42 O ATOM 1439 CB GLU A 103 7.494 4.348 9.533 1.00 73.04 C ATOM 1440 CG GLU A 103 7.911 5.706 10.103 1.00 14.20 C ATOM 1441 CD GLU A 103 9.301 6.137 9.653 1.00 72.14 C ATOM 1442 OE1 GLU A 103 10.196 5.291 9.471 1.00 32.34 O ATOM 1443 OE2 GLU A 103 9.493 7.359 9.434 1.00 24.21 O ATOM 0 H GLU A 103 5.445 2.290 8.893 1.00 30.24 H new ATOM 0 HA GLU A 103 6.121 4.019 11.153 1.00 23.32 H new ATOM 0 HB2 GLU A 103 8.266 3.614 9.762 1.00 73.04 H new ATOM 0 HB3 GLU A 103 7.435 4.421 8.447 1.00 73.04 H new ATOM 0 HG2 GLU A 103 7.186 6.460 9.798 1.00 14.20 H new ATOM 0 HG3 GLU A 103 7.885 5.661 11.192 1.00 14.20 H new ATOM 1448 N PHE A 104 4.667 5.839 9.776 1.00 12.32 N ATOM 1449 CA PHE A 104 3.490 6.595 9.312 1.00 40.15 C ATOM 1450 C PHE A 104 3.932 7.921 8.662 1.00 4.40 C ATOM 1451 O PHE A 104 4.814 8.593 9.193 1.00 20.24 O ATOM 1452 CB PHE A 104 2.591 6.761 10.527 1.00 23.12 C ATOM 1453 CG PHE A 104 1.213 7.344 10.318 1.00 24.12 C ATOM 1454 CD1 PHE A 104 0.123 6.502 10.013 1.00 62.25 C ATOM 1455 CD2 PHE A 104 0.986 8.703 10.608 1.00 24.42 C ATOM 1456 CE1 PHE A 104 -1.179 7.020 10.008 1.00 14.22 C ATOM 1457 CE2 PHE A 104 -0.328 9.204 10.639 1.00 62.13 C ATOM 1458 CZ PHE A 104 -1.411 8.365 10.335 1.00 25.04 C ATOM 0 H PHE A 104 5.266 6.382 10.398 1.00 12.32 H new ATOM 0 HA PHE A 104 2.932 6.080 8.530 1.00 40.15 H new ATOM 0 HB2 PHE A 104 2.472 5.781 10.990 1.00 23.12 H new ATOM 0 HB3 PHE A 104 3.114 7.392 11.246 1.00 23.12 H new ATOM 0 HD1 PHE A 104 0.292 5.460 9.784 1.00 62.25 H new ATOM 0 HD2 PHE A 104 1.820 9.360 10.806 1.00 24.42 H new ATOM 0 HE1 PHE A 104 -2.010 6.380 9.751 1.00 14.22 H new ATOM 0 HE2 PHE A 104 -0.504 10.238 10.898 1.00 62.13 H new ATOM 0 HZ PHE A 104 -2.419 8.753 10.353 1.00 25.04 H new ATOM 1467 N ALA A 105 3.389 8.253 7.483 1.00 14.34 N ATOM 1468 CA ALA A 105 3.902 9.251 6.540 1.00 15.52 C ATOM 1469 C ALA A 105 2.779 10.221 6.168 1.00 15.10 C ATOM 1470 O ALA A 105 2.478 10.459 4.993 1.00 64.32 O ATOM 1471 CB ALA A 105 4.497 8.570 5.297 1.00 44.35 C ATOM 0 H ALA A 105 2.535 7.808 7.145 1.00 14.34 H new ATOM 0 HA ALA A 105 4.706 9.816 7.011 1.00 15.52 H new ATOM 0 HB1 ALA A 105 4.872 9.329 4.611 1.00 44.35 H new ATOM 0 HB2 ALA A 105 5.316 7.916 5.597 1.00 44.35 H new ATOM 0 HB3 ALA A 105 3.726 7.981 4.801 1.00 44.35 H new ATOM 1477 N LYS A 106 2.110 10.751 7.187 1.00 55.23 N ATOM 1478 CA LYS A 106 1.062 11.756 7.036 1.00 20.23 C ATOM 1479 C LYS A 106 1.600 13.099 6.508 1.00 3.12 C ATOM 1480 O LYS A 106 2.788 13.232 6.200 1.00 52.23 O ATOM 1481 CB LYS A 106 0.289 11.851 8.331 1.00 11.54 C ATOM 1482 CG LYS A 106 1.089 12.460 9.482 1.00 62.25 C ATOM 1483 CD LYS A 106 0.085 13.258 10.282 1.00 15.41 C ATOM 1484 CE LYS A 106 0.725 13.842 11.542 1.00 63.44 C ATOM 1485 NZ LYS A 106 -0.207 14.721 12.272 1.00 40.25 N ATOM 0 H LYS A 106 2.283 10.490 8.158 1.00 55.23 H new ATOM 0 HA LYS A 106 0.363 11.446 6.259 1.00 20.23 H new ATOM 0 HB2 LYS A 106 -0.606 12.450 8.166 1.00 11.54 H new ATOM 0 HB3 LYS A 106 -0.043 10.854 8.619 1.00 11.54 H new ATOM 0 HG2 LYS A 106 1.553 11.685 10.093 1.00 62.25 H new ATOM 0 HG3 LYS A 106 1.892 13.097 9.110 1.00 62.25 H new ATOM 0 HD2 LYS A 106 -0.317 14.064 9.667 1.00 15.41 H new ATOM 0 HD3 LYS A 106 -0.754 12.620 10.559 1.00 15.41 H new ATOM 0 HE2 LYS A 106 1.047 13.031 12.195 1.00 63.44 H new ATOM 0 HE3 LYS A 106 1.617 14.405 11.269 1.00 63.44 H new ATOM 0 HZ1 LYS A 106 0.263 15.098 13.120 1.00 40.25 H new ATOM 0 HZ2 LYS A 106 -0.495 15.509 11.657 1.00 40.25 H new ATOM 0 HZ3 LYS A 106 -1.047 14.177 12.555 1.00 40.25 H new