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 30 ASN : amide:sc= 0.608 K(o=-1.6,f=-0.23) USER MOD Set 1.2: A 32 ASN : amide:sc= 0.847 K(o=-1.6,f=-9.9!) USER MOD Set 1.3: A 98 LYS NZ :NH3+ -145:sc= -3.05! (180deg=-1.24) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.0403 X(o=-0.04,f=0) USER MOD Single : A 35 SER OG : rot -150:sc= 0.343 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -170:sc= -0.031 (180deg=-0.237) USER MOD Single : A 39 SER OG : rot -74:sc= 1.24 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 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.202 K(o=-0.2,f=-5.3!) USER MOD Single : A 59 LYS NZ :NH3+ -124:sc= 0.199 (180deg=0.172) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 63 THR OG1 : rot -73:sc= 1.2 USER MOD Single : A 64 GLN : amide:sc= 0.871 K(o=0.87,f=-0.079) USER MOD Single : A 66 ASN : amide:sc= 0.581 K(o=0.58,f=-0.98) 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= 0.00764 USER MOD Single : A 81 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.54) USER MOD Single : A 84 GLN : amide:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.0113 X(o=-0.011,f=-0.44) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0554 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc=-0.00894 (180deg=-0.00894) USER MOD ----------------------------------------------------------------- ATOM 280 N ASP A 24 -3.641 11.122 5.785 1.00 62.02 N ATOM 281 CA ASP A 24 -3.320 9.744 6.177 1.00 52.23 C ATOM 282 C ASP A 24 -2.806 8.974 4.969 1.00 41.15 C ATOM 283 O ASP A 24 -3.490 8.904 3.951 1.00 72.41 O ATOM 284 CB ASP A 24 -4.564 9.048 6.733 1.00 43.45 C ATOM 285 CG ASP A 24 -5.809 9.181 5.852 1.00 4.10 C ATOM 286 OD1 ASP A 24 -6.285 10.330 5.717 1.00 33.24 O ATOM 287 OD2 ASP A 24 -6.382 8.155 5.436 1.00 33.04 O ATOM 0 HA ASP A 24 -2.551 9.769 6.949 1.00 52.23 H new ATOM 0 HB2 ASP A 24 -4.342 7.990 6.871 1.00 43.45 H new ATOM 0 HB3 ASP A 24 -4.785 9.458 7.718 1.00 43.45 H new ATOM 291 N THR A 25 -1.633 8.362 5.118 1.00 44.42 N ATOM 292 CA THR A 25 -1.164 7.269 4.273 1.00 73.42 C ATOM 293 C THR A 25 -0.271 6.361 5.127 1.00 33.20 C ATOM 294 O THR A 25 0.282 6.801 6.144 1.00 61.03 O ATOM 295 CB THR A 25 -0.374 7.781 3.045 1.00 13.33 C ATOM 296 OG1 THR A 25 -0.843 9.007 2.534 1.00 41.51 O ATOM 297 CG2 THR A 25 -0.457 6.784 1.887 1.00 4.54 C ATOM 0 H THR A 25 -0.968 8.619 5.847 1.00 44.42 H new ATOM 0 HA THR A 25 -2.027 6.724 3.890 1.00 73.42 H new ATOM 0 HB THR A 25 0.644 7.908 3.414 1.00 13.33 H new ATOM 0 HG1 THR A 25 -0.298 9.270 1.763 1.00 41.51 H new ATOM 0 HG21 THR A 25 0.106 7.167 1.036 1.00 4.54 H new ATOM 0 HG22 THR A 25 -0.037 5.828 2.199 1.00 4.54 H new ATOM 0 HG23 THR A 25 -1.499 6.646 1.600 1.00 4.54 H new ATOM 305 N ILE A 26 -0.077 5.115 4.693 1.00 42.51 N ATOM 306 CA ILE A 26 0.947 4.216 5.207 1.00 34.43 C ATOM 307 C ILE A 26 2.120 4.224 4.214 1.00 4.11 C ATOM 308 O ILE A 26 1.931 4.417 3.010 1.00 52.15 O ATOM 309 CB ILE A 26 0.307 2.826 5.418 1.00 42.24 C ATOM 310 CG1 ILE A 26 -0.737 2.810 6.556 1.00 61.13 C ATOM 311 CG2 ILE A 26 1.338 1.709 5.632 1.00 20.10 C ATOM 312 CD1 ILE A 26 -0.216 3.269 7.922 1.00 0.54 C ATOM 0 H ILE A 26 -0.644 4.696 3.956 1.00 42.51 H new ATOM 0 HA ILE A 26 1.344 4.527 6.173 1.00 34.43 H new ATOM 0 HB ILE A 26 -0.212 2.621 4.482 1.00 42.24 H new ATOM 0 HG12 ILE A 26 -1.573 3.448 6.270 1.00 61.13 H new ATOM 0 HG13 ILE A 26 -1.128 1.797 6.655 1.00 61.13 H new ATOM 0 HG21 ILE A 26 0.822 0.760 5.774 1.00 20.10 H new ATOM 0 HG22 ILE A 26 1.988 1.642 4.760 1.00 20.10 H new ATOM 0 HG23 ILE A 26 1.937 1.931 6.515 1.00 20.10 H new ATOM 0 HD11 ILE A 26 -1.023 3.222 8.654 1.00 0.54 H new ATOM 0 HD12 ILE A 26 0.599 2.618 8.238 1.00 0.54 H new ATOM 0 HD13 ILE A 26 0.147 4.294 7.847 1.00 0.54 H new ATOM 323 N ILE A 27 3.331 3.986 4.716 1.00 31.33 N ATOM 324 CA ILE A 27 4.572 3.905 3.944 1.00 40.32 C ATOM 325 C ILE A 27 5.284 2.609 4.367 1.00 53.53 C ATOM 326 O ILE A 27 4.959 2.017 5.400 1.00 34.04 O ATOM 327 CB ILE A 27 5.396 5.213 4.142 1.00 62.21 C ATOM 328 CG1 ILE A 27 6.513 5.492 3.104 1.00 21.32 C ATOM 329 CG2 ILE A 27 6.062 5.285 5.514 1.00 42.12 C ATOM 330 CD1 ILE A 27 5.989 6.295 1.925 1.00 73.32 C ATOM 0 H ILE A 27 3.481 3.838 5.714 1.00 31.33 H new ATOM 0 HA ILE A 27 4.406 3.845 2.868 1.00 40.32 H new ATOM 0 HB ILE A 27 4.621 5.969 4.016 1.00 62.21 H new ATOM 0 HG12 ILE A 27 7.328 6.035 3.582 1.00 21.32 H new ATOM 0 HG13 ILE A 27 6.925 4.548 2.748 1.00 21.32 H new ATOM 0 HG21 ILE A 27 6.623 6.216 5.598 1.00 42.12 H new ATOM 0 HG22 ILE A 27 5.299 5.250 6.291 1.00 42.12 H new ATOM 0 HG23 ILE A 27 6.741 4.441 5.634 1.00 42.12 H new ATOM 0 HD11 ILE A 27 6.799 6.472 1.217 1.00 73.32 H new ATOM 0 HD12 ILE A 27 5.191 5.739 1.432 1.00 73.32 H new ATOM 0 HD13 ILE A 27 5.601 7.250 2.279 1.00 73.32 H new ATOM 341 N LEU A 28 6.253 2.153 3.584 1.00 43.22 N ATOM 342 CA LEU A 28 7.143 1.040 3.905 1.00 75.15 C ATOM 343 C LEU A 28 8.555 1.606 3.816 1.00 4.52 C ATOM 344 O LEU A 28 8.812 2.404 2.916 1.00 71.01 O ATOM 345 CB LEU A 28 7.015 -0.101 2.873 1.00 22.34 C ATOM 346 CG LEU A 28 5.694 -0.887 2.756 1.00 14.20 C ATOM 347 CD1 LEU A 28 5.312 -1.562 4.067 1.00 52.12 C ATOM 348 CD2 LEU A 28 4.493 -0.072 2.258 1.00 61.42 C ATOM 0 H LEU A 28 6.450 2.563 2.671 1.00 43.22 H new ATOM 0 HA LEU A 28 6.900 0.631 4.886 1.00 75.15 H new ATOM 0 HB2 LEU A 28 7.228 0.323 1.892 1.00 22.34 H new ATOM 0 HB3 LEU A 28 7.804 -0.822 3.087 1.00 22.34 H new ATOM 0 HG LEU A 28 5.914 -1.633 1.992 1.00 14.20 H new ATOM 0 HD11 LEU A 28 4.375 -2.104 3.938 1.00 52.12 H new ATOM 0 HD12 LEU A 28 6.097 -2.259 4.360 1.00 52.12 H new ATOM 0 HD13 LEU A 28 5.190 -0.807 4.843 1.00 52.12 H new ATOM 0 HD21 LEU A 28 3.613 -0.713 2.210 1.00 61.42 H new ATOM 0 HD22 LEU A 28 4.304 0.753 2.944 1.00 61.42 H new ATOM 0 HD23 LEU A 28 4.708 0.324 1.265 1.00 61.42 H new ATOM 359 N ARG A 29 9.481 1.152 4.667 1.00 74.42 N ATOM 360 CA ARG A 29 10.918 1.379 4.485 1.00 41.25 C ATOM 361 C ARG A 29 11.640 0.038 4.543 1.00 4.50 C ATOM 362 O ARG A 29 10.997 -1.001 4.716 1.00 72.15 O ATOM 363 CB ARG A 29 11.513 2.350 5.527 1.00 32.13 C ATOM 364 CG ARG A 29 10.775 3.678 5.725 1.00 74.23 C ATOM 365 CD ARG A 29 11.782 4.778 6.104 1.00 51.35 C ATOM 366 NE ARG A 29 12.235 5.516 4.917 1.00 31.11 N ATOM 367 CZ ARG A 29 11.501 6.439 4.294 1.00 14.50 C ATOM 368 NH1 ARG A 29 10.372 6.907 4.825 1.00 35.32 N ATOM 369 NH2 ARG A 29 11.892 6.863 3.105 1.00 75.11 N ATOM 0 H ARG A 29 9.254 0.615 5.504 1.00 74.42 H new ATOM 0 HA ARG A 29 11.058 1.850 3.512 1.00 41.25 H new ATOM 0 HB2 ARG A 29 11.554 1.836 6.487 1.00 32.13 H new ATOM 0 HB3 ARG A 29 12.541 2.571 5.239 1.00 32.13 H new ATOM 0 HG2 ARG A 29 10.248 3.953 4.811 1.00 74.23 H new ATOM 0 HG3 ARG A 29 10.023 3.574 6.507 1.00 74.23 H new ATOM 0 HD2 ARG A 29 11.321 5.468 6.811 1.00 51.35 H new ATOM 0 HD3 ARG A 29 12.640 4.332 6.607 1.00 51.35 H new ATOM 0 HE ARG A 29 13.164 5.311 4.548 1.00 31.11 H new ATOM 0 HH11 ARG A 29 10.051 6.559 5.729 1.00 35.32 H new ATOM 0 HH12 ARG A 29 9.829 7.613 4.328 1.00 35.32 H new ATOM 0 HH21 ARG A 29 12.740 6.485 2.682 1.00 75.11 H new ATOM 0 HH22 ARG A 29 11.346 7.568 2.610 1.00 75.11 H new ATOM 380 N ASN A 30 12.971 0.076 4.464 1.00 13.14 N ATOM 381 CA ASN A 30 13.869 -1.067 4.407 1.00 24.24 C ATOM 382 C ASN A 30 13.360 -2.055 3.377 1.00 15.44 C ATOM 383 O ASN A 30 12.884 -3.132 3.731 1.00 53.31 O ATOM 384 CB ASN A 30 14.073 -1.714 5.789 1.00 63.03 C ATOM 385 CG ASN A 30 15.284 -2.633 5.806 1.00 73.11 C ATOM 386 OD1 ASN A 30 16.420 -2.183 5.707 1.00 0.32 O ATOM 387 ND2 ASN A 30 15.114 -3.938 5.873 1.00 12.14 N ATOM 0 H ASN A 30 13.476 0.962 4.437 1.00 13.14 H new ATOM 0 HA ASN A 30 14.856 -0.722 4.098 1.00 24.24 H new ATOM 0 HB2 ASN A 30 14.197 -0.935 6.541 1.00 63.03 H new ATOM 0 HB3 ASN A 30 13.182 -2.281 6.061 1.00 63.03 H new ATOM 0 HD21 ASN A 30 15.922 -4.560 5.842 1.00 12.14 H new ATOM 0 HD22 ASN A 30 14.174 -4.326 5.956 1.00 12.14 H new ATOM 393 N LEU A 31 13.456 -1.704 2.095 1.00 55.51 N ATOM 394 CA LEU A 31 13.133 -2.602 0.996 1.00 23.43 C ATOM 395 C LEU A 31 14.359 -2.761 0.113 1.00 63.23 C ATOM 396 O LEU A 31 15.145 -1.826 -0.045 1.00 52.12 O ATOM 397 CB LEU A 31 11.899 -2.125 0.218 1.00 72.32 C ATOM 398 CG LEU A 31 10.579 -2.206 0.999 1.00 24.33 C ATOM 399 CD1 LEU A 31 9.431 -1.711 0.132 1.00 35.04 C ATOM 400 CD2 LEU A 31 10.274 -3.648 1.401 1.00 51.55 C ATOM 0 H LEU A 31 13.763 -0.780 1.792 1.00 55.51 H new ATOM 0 HA LEU A 31 12.865 -3.581 1.392 1.00 23.43 H new ATOM 0 HB2 LEU A 31 12.059 -1.093 -0.093 1.00 72.32 H new ATOM 0 HB3 LEU A 31 11.806 -2.721 -0.690 1.00 72.32 H new ATOM 0 HG LEU A 31 10.683 -1.587 1.890 1.00 24.33 H new ATOM 0 HD11 LEU A 31 8.499 -1.772 0.693 1.00 35.04 H new ATOM 0 HD12 LEU A 31 9.614 -0.676 -0.157 1.00 35.04 H new ATOM 0 HD13 LEU A 31 9.357 -2.330 -0.762 1.00 35.04 H new ATOM 0 HD21 LEU A 31 9.335 -3.681 1.953 1.00 51.55 H new ATOM 0 HD22 LEU A 31 10.191 -4.265 0.506 1.00 51.55 H new ATOM 0 HD23 LEU A 31 11.078 -4.028 2.031 1.00 51.55 H new ATOM 411 N ASN A 32 14.537 -3.963 -0.437 1.00 0.31 N ATOM 412 CA ASN A 32 15.626 -4.277 -1.345 1.00 35.10 C ATOM 413 C ASN A 32 15.119 -4.031 -2.762 1.00 71.42 C ATOM 414 O ASN A 32 13.900 -4.065 -2.986 1.00 52.24 O ATOM 415 CB ASN A 32 16.064 -5.741 -1.144 1.00 64.15 C ATOM 416 CG ASN A 32 17.093 -5.840 -0.029 1.00 1.33 C ATOM 417 OD1 ASN A 32 16.893 -5.288 1.045 1.00 54.31 O ATOM 418 ND2 ASN A 32 18.178 -6.547 -0.221 1.00 12.21 N ATOM 0 H ASN A 32 13.917 -4.753 -0.258 1.00 0.31 H new ATOM 0 HA ASN A 32 16.498 -3.652 -1.155 1.00 35.10 H new ATOM 0 HB2 ASN A 32 15.197 -6.356 -0.903 1.00 64.15 H new ATOM 0 HB3 ASN A 32 16.484 -6.132 -2.071 1.00 64.15 H new ATOM 0 HD21 ASN A 32 18.864 -6.641 0.528 1.00 12.21 H new ATOM 0 HD22 ASN A 32 18.337 -7.004 -1.119 1.00 12.21 H new ATOM 424 N PRO A 33 16.005 -3.843 -3.752 1.00 2.50 N ATOM 425 CA PRO A 33 15.575 -3.642 -5.128 1.00 1.42 C ATOM 426 C PRO A 33 14.827 -4.872 -5.665 1.00 43.35 C ATOM 427 O PRO A 33 13.988 -4.728 -6.555 1.00 11.52 O ATOM 428 CB PRO A 33 16.836 -3.271 -5.912 1.00 51.13 C ATOM 429 CG PRO A 33 18.012 -3.687 -5.034 1.00 20.23 C ATOM 430 CD PRO A 33 17.447 -3.722 -3.616 1.00 55.25 C ATOM 0 HA PRO A 33 14.845 -2.838 -5.224 1.00 1.42 H new ATOM 0 HB2 PRO A 33 16.864 -3.786 -6.872 1.00 51.13 H new ATOM 0 HB3 PRO A 33 16.865 -2.202 -6.122 1.00 51.13 H new ATOM 0 HG2 PRO A 33 18.401 -4.662 -5.329 1.00 20.23 H new ATOM 0 HG3 PRO A 33 18.836 -2.978 -5.114 1.00 20.23 H new ATOM 0 HD2 PRO A 33 17.856 -4.563 -3.056 1.00 55.25 H new ATOM 0 HD3 PRO A 33 17.711 -2.816 -3.070 1.00 55.25 H new ATOM 435 N HIS A 34 15.042 -6.044 -5.058 1.00 31.31 N ATOM 436 CA HIS A 34 14.415 -7.317 -5.392 1.00 1.11 C ATOM 437 C HIS A 34 13.152 -7.635 -4.578 1.00 42.43 C ATOM 438 O HIS A 34 12.540 -8.671 -4.840 1.00 40.32 O ATOM 439 CB HIS A 34 15.451 -8.429 -5.191 1.00 71.21 C ATOM 440 CG HIS A 34 16.593 -8.325 -6.165 1.00 22.23 C ATOM 441 ND1 HIS A 34 16.708 -9.005 -7.354 1.00 11.13 N ATOM 442 CD2 HIS A 34 17.675 -7.501 -6.045 1.00 3.31 C ATOM 443 CE1 HIS A 34 17.849 -8.606 -7.939 1.00 2.42 C ATOM 444 NE2 HIS A 34 18.474 -7.685 -7.176 1.00 44.43 N ATOM 0 H HIS A 34 15.695 -6.129 -4.279 1.00 31.31 H new ATOM 0 HA HIS A 34 14.085 -7.248 -6.429 1.00 1.11 H new ATOM 0 HB2 HIS A 34 15.838 -8.383 -4.173 1.00 71.21 H new ATOM 0 HB3 HIS A 34 14.967 -9.399 -5.304 1.00 71.21 H new ATOM 0 HD2 HIS A 34 17.877 -6.829 -5.224 1.00 3.31 H new ATOM 0 HE1 HIS A 34 18.215 -8.971 -8.887 1.00 2.42 H new ATOM 0 HE2 HIS A 34 19.356 -7.216 -7.384 1.00 44.43 H new ATOM 451 N SER A 35 12.753 -6.814 -3.594 1.00 74.21 N ATOM 452 CA SER A 35 11.529 -7.043 -2.847 1.00 64.22 C ATOM 453 C SER A 35 10.310 -6.938 -3.780 1.00 41.53 C ATOM 454 O SER A 35 10.395 -6.471 -4.915 1.00 52.55 O ATOM 455 CB SER A 35 11.443 -6.059 -1.669 1.00 43.32 C ATOM 456 OG SER A 35 12.549 -6.208 -0.784 1.00 61.03 O ATOM 0 H SER A 35 13.271 -5.984 -3.304 1.00 74.21 H new ATOM 0 HA SER A 35 11.535 -8.052 -2.434 1.00 64.22 H new ATOM 0 HB2 SER A 35 11.414 -5.037 -2.048 1.00 43.32 H new ATOM 0 HB3 SER A 35 10.514 -6.223 -1.123 1.00 43.32 H new ATOM 0 HG SER A 35 12.274 -5.970 0.126 1.00 61.03 H new ATOM 461 N THR A 36 9.160 -7.363 -3.285 1.00 61.11 N ATOM 462 CA THR A 36 7.935 -7.521 -4.064 1.00 54.12 C ATOM 463 C THR A 36 6.728 -7.003 -3.293 1.00 20.10 C ATOM 464 O THR A 36 6.768 -6.924 -2.060 1.00 20.32 O ATOM 465 CB THR A 36 7.771 -9.007 -4.442 1.00 44.31 C ATOM 466 OG1 THR A 36 8.297 -9.864 -3.438 1.00 61.32 O ATOM 467 CG2 THR A 36 8.497 -9.282 -5.755 1.00 55.45 C ATOM 0 H THR A 36 9.045 -7.616 -2.303 1.00 61.11 H new ATOM 0 HA THR A 36 8.004 -6.929 -4.977 1.00 54.12 H new ATOM 0 HB THR A 36 6.705 -9.209 -4.544 1.00 44.31 H new ATOM 0 HG1 THR A 36 8.175 -10.798 -3.708 1.00 61.32 H new ATOM 0 HG21 THR A 36 8.381 -10.332 -6.022 1.00 55.45 H new ATOM 0 HG22 THR A 36 8.073 -8.659 -6.542 1.00 55.45 H new ATOM 0 HG23 THR A 36 9.556 -9.052 -5.640 1.00 55.45 H new ATOM 475 N MET A 37 5.652 -6.653 -4.006 1.00 34.40 N ATOM 476 CA MET A 37 4.423 -6.138 -3.409 1.00 63.24 C ATOM 477 C MET A 37 3.854 -7.123 -2.392 1.00 40.13 C ATOM 478 O MET A 37 3.376 -6.721 -1.335 1.00 12.22 O ATOM 479 CB MET A 37 3.392 -5.874 -4.515 1.00 20.21 C ATOM 480 CG MET A 37 2.051 -5.427 -3.921 1.00 61.35 C ATOM 481 SD MET A 37 0.761 -4.963 -5.099 1.00 12.30 S ATOM 482 CE MET A 37 1.507 -3.546 -5.927 1.00 53.52 C ATOM 0 H MET A 37 5.613 -6.721 -5.023 1.00 34.40 H new ATOM 0 HA MET A 37 4.651 -5.208 -2.888 1.00 63.24 H new ATOM 0 HB2 MET A 37 3.768 -5.107 -5.192 1.00 20.21 H new ATOM 0 HB3 MET A 37 3.248 -6.778 -5.107 1.00 20.21 H new ATOM 0 HG2 MET A 37 1.668 -6.235 -3.297 1.00 61.35 H new ATOM 0 HG3 MET A 37 2.235 -4.577 -3.265 1.00 61.35 H new ATOM 0 HE1 MET A 37 0.760 -3.053 -6.549 1.00 53.52 H new ATOM 0 HE2 MET A 37 1.880 -2.844 -5.181 1.00 53.52 H new ATOM 0 HE3 MET A 37 2.333 -3.884 -6.552 1.00 53.52 H new ATOM 490 N ASP A 38 3.879 -8.412 -2.721 1.00 42.52 N ATOM 491 CA ASP A 38 3.128 -9.411 -1.965 1.00 21.23 C ATOM 492 C ASP A 38 3.735 -9.657 -0.579 1.00 43.11 C ATOM 493 O ASP A 38 3.060 -10.223 0.279 1.00 75.05 O ATOM 494 CB ASP A 38 2.970 -10.702 -2.780 1.00 0.30 C ATOM 495 CG ASP A 38 2.227 -10.443 -4.093 1.00 23.11 C ATOM 496 OD1 ASP A 38 1.068 -9.973 -4.095 1.00 15.54 O ATOM 497 OD2 ASP A 38 2.848 -10.610 -5.168 1.00 15.50 O ATOM 0 H ASP A 38 4.411 -8.789 -3.505 1.00 42.52 H new ATOM 0 HA ASP A 38 2.127 -9.017 -1.786 1.00 21.23 H new ATOM 0 HB2 ASP A 38 3.953 -11.123 -2.993 1.00 0.30 H new ATOM 0 HB3 ASP A 38 2.427 -11.442 -2.192 1.00 0.30 H new ATOM 501 N SER A 39 4.948 -9.154 -0.300 1.00 43.22 N ATOM 502 CA SER A 39 5.493 -9.095 1.056 1.00 31.14 C ATOM 503 C SER A 39 4.614 -8.276 2.013 1.00 44.25 C ATOM 504 O SER A 39 4.644 -8.515 3.219 1.00 14.34 O ATOM 505 CB SER A 39 6.937 -8.568 1.034 1.00 72.34 C ATOM 506 OG SER A 39 7.073 -7.248 0.546 1.00 24.31 O ATOM 0 H SER A 39 5.575 -8.778 -1.012 1.00 43.22 H new ATOM 0 HA SER A 39 5.500 -10.114 1.444 1.00 31.14 H new ATOM 0 HB2 SER A 39 7.341 -8.611 2.045 1.00 72.34 H new ATOM 0 HB3 SER A 39 7.544 -9.233 0.419 1.00 72.34 H new ATOM 0 HG SER A 39 6.959 -7.246 -0.427 1.00 24.31 H new ATOM 511 N ILE A 40 3.845 -7.320 1.481 1.00 55.41 N ATOM 512 CA ILE A 40 2.829 -6.563 2.192 1.00 15.11 C ATOM 513 C ILE A 40 1.549 -7.404 2.170 1.00 60.14 C ATOM 514 O ILE A 40 1.088 -7.849 3.220 1.00 74.03 O ATOM 515 CB ILE A 40 2.649 -5.166 1.538 1.00 34.14 C ATOM 516 CG1 ILE A 40 3.925 -4.293 1.637 1.00 3.54 C ATOM 517 CG2 ILE A 40 1.485 -4.385 2.163 1.00 34.22 C ATOM 518 CD1 ILE A 40 4.855 -4.409 0.423 1.00 43.55 C ATOM 0 H ILE A 40 3.923 -7.047 0.501 1.00 55.41 H new ATOM 0 HA ILE A 40 3.111 -6.372 3.227 1.00 15.11 H new ATOM 0 HB ILE A 40 2.436 -5.369 0.489 1.00 34.14 H new ATOM 0 HG12 ILE A 40 3.631 -3.250 1.759 1.00 3.54 H new ATOM 0 HG13 ILE A 40 4.477 -4.575 2.533 1.00 3.54 H new ATOM 0 HG21 ILE A 40 1.395 -3.414 1.676 1.00 34.22 H new ATOM 0 HG22 ILE A 40 0.559 -4.944 2.031 1.00 34.22 H new ATOM 0 HG23 ILE A 40 1.673 -4.241 3.227 1.00 34.22 H new ATOM 0 HD11 ILE A 40 5.725 -3.768 0.568 1.00 43.55 H new ATOM 0 HD12 ILE A 40 5.181 -5.443 0.312 1.00 43.55 H new ATOM 0 HD13 ILE A 40 4.321 -4.098 -0.475 1.00 43.55 H new ATOM 529 N LEU A 41 0.978 -7.613 0.975 1.00 24.11 N ATOM 530 CA LEU A 41 -0.376 -8.145 0.819 1.00 54.11 C ATOM 531 C LEU A 41 -0.542 -9.468 1.561 1.00 75.02 C ATOM 532 O LEU A 41 -1.521 -9.646 2.283 1.00 35.41 O ATOM 533 CB LEU A 41 -0.751 -8.326 -0.659 1.00 62.41 C ATOM 534 CG LEU A 41 -0.888 -7.020 -1.463 1.00 2.52 C ATOM 535 CD1 LEU A 41 -1.236 -7.375 -2.905 1.00 75.05 C ATOM 536 CD2 LEU A 41 -1.985 -6.095 -0.926 1.00 43.55 C ATOM 0 H LEU A 41 1.446 -7.416 0.090 1.00 24.11 H new ATOM 0 HA LEU A 41 -1.053 -7.411 1.256 1.00 54.11 H new ATOM 0 HB2 LEU A 41 0.005 -8.950 -1.136 1.00 62.41 H new ATOM 0 HB3 LEU A 41 -1.694 -8.869 -0.714 1.00 62.41 H new ATOM 0 HG LEU A 41 0.061 -6.490 -1.382 1.00 2.52 H new ATOM 0 HD11 LEU A 41 -1.337 -6.461 -3.490 1.00 75.05 H new ATOM 0 HD12 LEU A 41 -0.444 -7.992 -3.329 1.00 75.05 H new ATOM 0 HD13 LEU A 41 -2.176 -7.926 -2.927 1.00 75.05 H new ATOM 0 HD21 LEU A 41 -2.031 -5.193 -1.536 1.00 43.55 H new ATOM 0 HD22 LEU A 41 -2.946 -6.609 -0.965 1.00 43.55 H new ATOM 0 HD23 LEU A 41 -1.760 -5.825 0.106 1.00 43.55 H new ATOM 547 N GLY A 42 0.427 -10.377 1.434 1.00 41.41 N ATOM 548 CA GLY A 42 0.343 -11.699 2.025 1.00 22.13 C ATOM 549 C GLY A 42 0.311 -11.679 3.552 1.00 12.20 C ATOM 550 O GLY A 42 -0.120 -12.672 4.144 1.00 15.54 O ATOM 0 H GLY A 42 1.290 -10.210 0.916 1.00 41.41 H new ATOM 0 HA2 GLY A 42 -0.554 -12.197 1.657 1.00 22.13 H new ATOM 0 HA3 GLY A 42 1.196 -12.292 1.694 1.00 22.13 H new ATOM 554 N ALA A 43 0.761 -10.607 4.212 1.00 35.23 N ATOM 555 CA ALA A 43 0.606 -10.467 5.652 1.00 73.11 C ATOM 556 C ALA A 43 -0.799 -9.948 5.976 1.00 44.24 C ATOM 557 O ALA A 43 -1.505 -10.532 6.800 1.00 72.42 O ATOM 558 CB ALA A 43 1.692 -9.552 6.229 1.00 24.11 C ATOM 0 H ALA A 43 1.237 -9.824 3.764 1.00 35.23 H new ATOM 0 HA ALA A 43 0.725 -11.444 6.120 1.00 73.11 H new ATOM 0 HB1 ALA A 43 1.557 -9.462 7.307 1.00 24.11 H new ATOM 0 HB2 ALA A 43 2.674 -9.977 6.021 1.00 24.11 H new ATOM 0 HB3 ALA A 43 1.619 -8.566 5.770 1.00 24.11 H new ATOM 564 N LEU A 44 -1.200 -8.830 5.359 1.00 12.23 N ATOM 565 CA LEU A 44 -2.302 -8.008 5.869 1.00 72.21 C ATOM 566 C LEU A 44 -3.620 -8.281 5.154 1.00 20.20 C ATOM 567 O LEU A 44 -4.601 -7.599 5.434 1.00 35.11 O ATOM 568 CB LEU A 44 -1.958 -6.503 5.855 1.00 71.44 C ATOM 569 CG LEU A 44 -0.789 -6.025 6.746 1.00 24.24 C ATOM 570 CD1 LEU A 44 -0.521 -6.927 7.964 1.00 31.20 C ATOM 571 CD2 LEU A 44 0.479 -5.779 5.925 1.00 44.53 C ATOM 0 H LEU A 44 -0.775 -8.474 4.503 1.00 12.23 H new ATOM 0 HA LEU A 44 -2.440 -8.304 6.909 1.00 72.21 H new ATOM 0 HB2 LEU A 44 -1.733 -6.220 4.827 1.00 71.44 H new ATOM 0 HB3 LEU A 44 -2.851 -5.952 6.149 1.00 71.44 H new ATOM 0 HG LEU A 44 -1.109 -5.070 7.164 1.00 24.24 H new ATOM 0 HD11 LEU A 44 0.313 -6.524 8.538 1.00 31.20 H new ATOM 0 HD12 LEU A 44 -1.411 -6.963 8.593 1.00 31.20 H new ATOM 0 HD13 LEU A 44 -0.276 -7.933 7.625 1.00 31.20 H new ATOM 0 HD21 LEU A 44 1.280 -5.444 6.584 1.00 44.53 H new ATOM 0 HD22 LEU A 44 0.778 -6.704 5.431 1.00 44.53 H new ATOM 0 HD23 LEU A 44 0.283 -5.014 5.174 1.00 44.53 H new ATOM 582 N ALA A 45 -3.675 -9.285 4.281 1.00 64.04 N ATOM 583 CA ALA A 45 -4.870 -9.692 3.556 1.00 14.31 C ATOM 584 C ALA A 45 -6.135 -9.791 4.435 1.00 22.30 C ATOM 585 O ALA A 45 -7.180 -9.321 3.982 1.00 20.22 O ATOM 586 CB ALA A 45 -4.589 -10.991 2.794 1.00 3.43 C ATOM 0 H ALA A 45 -2.860 -9.855 4.054 1.00 64.04 H new ATOM 0 HA ALA A 45 -5.101 -8.901 2.843 1.00 14.31 H new ATOM 0 HB1 ALA A 45 -5.484 -11.295 2.251 1.00 3.43 H new ATOM 0 HB2 ALA A 45 -3.774 -10.830 2.088 1.00 3.43 H new ATOM 0 HB3 ALA A 45 -4.309 -11.773 3.499 1.00 3.43 H new ATOM 592 N PRO A 46 -6.128 -10.374 5.654 1.00 64.23 N ATOM 593 CA PRO A 46 -7.309 -10.358 6.519 1.00 22.14 C ATOM 594 C PRO A 46 -7.471 -9.085 7.352 1.00 62.15 C ATOM 595 O PRO A 46 -8.550 -8.855 7.897 1.00 42.44 O ATOM 596 CB PRO A 46 -7.152 -11.582 7.428 1.00 31.43 C ATOM 597 CG PRO A 46 -5.636 -11.691 7.585 1.00 13.34 C ATOM 598 CD PRO A 46 -5.108 -11.251 6.221 1.00 75.23 C ATOM 0 HA PRO A 46 -8.210 -10.383 5.906 1.00 22.14 H new ATOM 0 HB2 PRO A 46 -7.649 -11.440 8.388 1.00 31.43 H new ATOM 0 HB3 PRO A 46 -7.578 -12.478 6.977 1.00 31.43 H new ATOM 0 HG2 PRO A 46 -5.267 -11.049 8.385 1.00 13.34 H new ATOM 0 HG3 PRO A 46 -5.329 -12.709 7.826 1.00 13.34 H new ATOM 0 HD2 PRO A 46 -4.157 -10.728 6.322 1.00 75.23 H new ATOM 0 HD3 PRO A 46 -4.932 -12.111 5.576 1.00 75.23 H new ATOM 603 N TYR A 47 -6.454 -8.232 7.442 1.00 23.04 N ATOM 604 CA TYR A 47 -6.424 -7.064 8.323 1.00 22.40 C ATOM 605 C TYR A 47 -6.631 -5.761 7.551 1.00 3.30 C ATOM 606 O TYR A 47 -6.554 -4.679 8.136 1.00 15.21 O ATOM 607 CB TYR A 47 -5.125 -7.095 9.144 1.00 62.13 C ATOM 608 CG TYR A 47 -4.890 -8.414 9.872 1.00 71.04 C ATOM 609 CD1 TYR A 47 -5.963 -9.089 10.491 1.00 75.13 C ATOM 610 CD2 TYR A 47 -3.608 -8.996 9.896 1.00 34.31 C ATOM 611 CE1 TYR A 47 -5.767 -10.331 11.114 1.00 51.12 C ATOM 612 CE2 TYR A 47 -3.395 -10.215 10.562 1.00 3.50 C ATOM 613 CZ TYR A 47 -4.477 -10.898 11.159 1.00 32.32 C ATOM 614 OH TYR A 47 -4.301 -12.100 11.772 1.00 31.21 O ATOM 0 H TYR A 47 -5.603 -8.336 6.889 1.00 23.04 H new ATOM 0 HA TYR A 47 -7.262 -7.105 9.019 1.00 22.40 H new ATOM 0 HB2 TYR A 47 -4.282 -6.901 8.481 1.00 62.13 H new ATOM 0 HB3 TYR A 47 -5.148 -6.286 9.875 1.00 62.13 H new ATOM 0 HD1 TYR A 47 -6.947 -8.644 10.485 1.00 75.13 H new ATOM 0 HD2 TYR A 47 -2.785 -8.503 9.400 1.00 34.31 H new ATOM 0 HE1 TYR A 47 -6.603 -10.851 11.558 1.00 51.12 H new ATOM 0 HE2 TYR A 47 -2.400 -10.631 10.617 1.00 3.50 H new ATOM 0 HH TYR A 47 -3.357 -12.359 11.719 1.00 31.21 H new ATOM 623 N ALA A 48 -6.932 -5.867 6.258 1.00 53.35 N ATOM 624 CA ALA A 48 -7.287 -4.768 5.374 1.00 20.00 C ATOM 625 C ALA A 48 -8.329 -5.270 4.372 1.00 74.01 C ATOM 626 O ALA A 48 -8.575 -6.480 4.295 1.00 1.13 O ATOM 627 CB ALA A 48 -6.014 -4.257 4.692 1.00 35.41 C ATOM 0 H ALA A 48 -6.934 -6.767 5.779 1.00 53.35 H new ATOM 0 HA ALA A 48 -7.725 -3.934 5.921 1.00 20.00 H new ATOM 0 HB1 ALA A 48 -6.265 -3.432 4.025 1.00 35.41 H new ATOM 0 HB2 ALA A 48 -5.310 -3.911 5.449 1.00 35.41 H new ATOM 0 HB3 ALA A 48 -5.561 -5.064 4.116 1.00 35.41 H new ATOM 633 N VAL A 49 -8.936 -4.365 3.611 1.00 20.11 N ATOM 634 CA VAL A 49 -9.956 -4.651 2.610 1.00 15.31 C ATOM 635 C VAL A 49 -9.594 -3.858 1.351 1.00 2.23 C ATOM 636 O VAL A 49 -10.101 -2.764 1.098 1.00 40.24 O ATOM 637 CB VAL A 49 -11.356 -4.424 3.213 1.00 22.02 C ATOM 638 CG1 VAL A 49 -11.525 -3.071 3.917 1.00 20.22 C ATOM 639 CG2 VAL A 49 -12.461 -4.658 2.175 1.00 73.24 C ATOM 0 H VAL A 49 -8.721 -3.370 3.678 1.00 20.11 H new ATOM 0 HA VAL A 49 -9.990 -5.695 2.300 1.00 15.31 H new ATOM 0 HB VAL A 49 -11.456 -5.174 3.998 1.00 22.02 H new ATOM 0 HG11 VAL A 49 -12.537 -2.991 4.313 1.00 20.22 H new ATOM 0 HG12 VAL A 49 -10.808 -2.994 4.735 1.00 20.22 H new ATOM 0 HG13 VAL A 49 -11.350 -2.265 3.204 1.00 20.22 H new ATOM 0 HG21 VAL A 49 -13.434 -4.489 2.635 1.00 73.24 H new ATOM 0 HG22 VAL A 49 -12.329 -3.968 1.341 1.00 73.24 H new ATOM 0 HG23 VAL A 49 -12.406 -5.683 1.810 1.00 73.24 H new ATOM 649 N LEU A 50 -8.606 -4.370 0.620 1.00 31.31 N ATOM 650 CA LEU A 50 -7.881 -3.635 -0.415 1.00 24.00 C ATOM 651 C LEU A 50 -7.405 -4.552 -1.539 1.00 14.11 C ATOM 652 O LEU A 50 -7.653 -5.759 -1.514 1.00 35.23 O ATOM 653 CB LEU A 50 -6.713 -2.872 0.240 1.00 35.24 C ATOM 654 CG LEU A 50 -5.712 -3.669 1.095 1.00 23.44 C ATOM 655 CD1 LEU A 50 -4.910 -4.728 0.331 1.00 44.34 C ATOM 656 CD2 LEU A 50 -4.729 -2.663 1.706 1.00 3.44 C ATOM 0 H LEU A 50 -8.280 -5.330 0.733 1.00 31.31 H new ATOM 0 HA LEU A 50 -8.557 -2.919 -0.882 1.00 24.00 H new ATOM 0 HB2 LEU A 50 -6.153 -2.376 -0.553 1.00 35.24 H new ATOM 0 HB3 LEU A 50 -7.138 -2.089 0.868 1.00 35.24 H new ATOM 0 HG LEU A 50 -6.294 -4.216 1.837 1.00 23.44 H new ATOM 0 HD11 LEU A 50 -4.232 -5.236 1.017 1.00 44.34 H new ATOM 0 HD12 LEU A 50 -5.593 -5.454 -0.109 1.00 44.34 H new ATOM 0 HD13 LEU A 50 -4.333 -4.248 -0.459 1.00 44.34 H new ATOM 0 HD21 LEU A 50 -4.002 -3.193 2.321 1.00 3.44 H new ATOM 0 HD22 LEU A 50 -4.211 -2.130 0.909 1.00 3.44 H new ATOM 0 HD23 LEU A 50 -5.275 -1.950 2.323 1.00 3.44 H new ATOM 667 N SER A 51 -6.686 -3.998 -2.517 1.00 14.53 N ATOM 668 CA SER A 51 -6.024 -4.744 -3.574 1.00 75.12 C ATOM 669 C SER A 51 -4.665 -4.122 -3.920 1.00 52.12 C ATOM 670 O SER A 51 -4.233 -3.144 -3.299 1.00 14.41 O ATOM 671 CB SER A 51 -6.962 -4.810 -4.786 1.00 53.24 C ATOM 672 OG SER A 51 -6.759 -6.040 -5.443 1.00 34.12 O ATOM 0 H SER A 51 -6.548 -2.990 -2.592 1.00 14.53 H new ATOM 0 HA SER A 51 -5.814 -5.760 -3.240 1.00 75.12 H new ATOM 0 HB2 SER A 51 -8.000 -4.718 -4.467 1.00 53.24 H new ATOM 0 HB3 SER A 51 -6.763 -3.981 -5.465 1.00 53.24 H new ATOM 0 HG SER A 51 -7.353 -6.098 -6.220 1.00 34.12 H new ATOM 677 N SER A 52 -3.996 -4.664 -4.945 1.00 42.31 N ATOM 678 CA SER A 52 -2.728 -4.156 -5.466 1.00 34.40 C ATOM 679 C SER A 52 -2.827 -2.697 -5.926 1.00 42.52 C ATOM 680 O SER A 52 -1.822 -1.995 -6.036 1.00 43.35 O ATOM 681 CB SER A 52 -2.273 -5.050 -6.629 1.00 12.11 C ATOM 682 OG SER A 52 -3.232 -5.074 -7.676 1.00 60.05 O ATOM 0 H SER A 52 -4.332 -5.487 -5.445 1.00 42.31 H new ATOM 0 HA SER A 52 -1.996 -4.182 -4.659 1.00 34.40 H new ATOM 0 HB2 SER A 52 -1.320 -4.688 -7.016 1.00 12.11 H new ATOM 0 HB3 SER A 52 -2.105 -6.064 -6.265 1.00 12.11 H new ATOM 0 HG SER A 52 -2.911 -5.650 -8.401 1.00 60.05 H new ATOM 687 N SER A 53 -4.044 -2.236 -6.213 1.00 43.51 N ATOM 688 CA SER A 53 -4.379 -0.872 -6.574 1.00 32.12 C ATOM 689 C SER A 53 -4.016 0.104 -5.447 1.00 41.44 C ATOM 690 O SER A 53 -3.455 1.170 -5.704 1.00 51.35 O ATOM 691 CB SER A 53 -5.872 -0.878 -6.908 1.00 24.23 C ATOM 692 OG SER A 53 -6.077 -1.682 -8.071 1.00 71.22 O ATOM 0 H SER A 53 -4.863 -2.843 -6.197 1.00 43.51 H new ATOM 0 HA SER A 53 -3.807 -0.525 -7.435 1.00 32.12 H new ATOM 0 HB2 SER A 53 -6.445 -1.273 -6.069 1.00 24.23 H new ATOM 0 HB3 SER A 53 -6.224 0.138 -7.084 1.00 24.23 H new ATOM 0 HG SER A 53 -7.031 -1.696 -8.295 1.00 71.22 H new ATOM 697 N ASN A 54 -4.258 -0.277 -4.196 1.00 4.23 N ATOM 698 CA ASN A 54 -3.981 0.535 -3.013 1.00 64.14 C ATOM 699 C ASN A 54 -2.479 0.661 -2.766 1.00 52.22 C ATOM 700 O ASN A 54 -1.972 1.768 -2.560 1.00 2.43 O ATOM 701 CB ASN A 54 -4.633 -0.089 -1.775 1.00 40.12 C ATOM 702 CG ASN A 54 -6.137 -0.221 -1.932 1.00 24.02 C ATOM 703 OD1 ASN A 54 -6.591 -1.088 -2.675 1.00 71.03 O ATOM 704 ND2 ASN A 54 -6.913 0.579 -1.228 1.00 40.35 N ATOM 0 H ASN A 54 -4.664 -1.185 -3.970 1.00 4.23 H new ATOM 0 HA ASN A 54 -4.396 1.527 -3.194 1.00 64.14 H new ATOM 0 HB2 ASN A 54 -4.199 -1.072 -1.593 1.00 40.12 H new ATOM 0 HB3 ASN A 54 -4.412 0.523 -0.901 1.00 40.12 H new ATOM 0 HD21 ASN A 54 -7.927 0.490 -1.290 1.00 40.35 H new ATOM 0 HD22 ASN A 54 -6.499 1.287 -0.622 1.00 40.35 H new ATOM 710 N VAL A 55 -1.772 -0.476 -2.747 1.00 54.44 N ATOM 711 CA VAL A 55 -0.337 -0.565 -2.504 1.00 74.21 C ATOM 712 C VAL A 55 0.378 -0.006 -3.734 1.00 3.52 C ATOM 713 O VAL A 55 0.452 -0.668 -4.772 1.00 60.02 O ATOM 714 CB VAL A 55 0.067 -2.023 -2.186 1.00 22.42 C ATOM 715 CG1 VAL A 55 1.569 -2.138 -1.869 1.00 62.21 C ATOM 716 CG2 VAL A 55 -0.715 -2.558 -0.977 1.00 53.25 C ATOM 0 H VAL A 55 -2.203 -1.387 -2.906 1.00 54.44 H new ATOM 0 HA VAL A 55 -0.047 0.022 -1.633 1.00 74.21 H new ATOM 0 HB VAL A 55 -0.165 -2.610 -3.075 1.00 22.42 H new ATOM 0 HG11 VAL A 55 1.816 -3.177 -1.650 1.00 62.21 H new ATOM 0 HG12 VAL A 55 2.149 -1.800 -2.728 1.00 62.21 H new ATOM 0 HG13 VAL A 55 1.807 -1.519 -1.004 1.00 62.21 H new ATOM 0 HG21 VAL A 55 -0.413 -3.585 -0.774 1.00 53.25 H new ATOM 0 HG22 VAL A 55 -0.505 -1.939 -0.105 1.00 53.25 H new ATOM 0 HG23 VAL A 55 -1.783 -2.530 -1.193 1.00 53.25 H new ATOM 726 N ARG A 56 0.880 1.227 -3.659 1.00 21.40 N ATOM 727 CA ARG A 56 1.696 1.776 -4.740 1.00 14.40 C ATOM 728 C ARG A 56 3.138 1.392 -4.484 1.00 23.32 C ATOM 729 O ARG A 56 3.592 1.366 -3.337 1.00 61.23 O ATOM 730 CB ARG A 56 1.534 3.300 -4.875 1.00 35.43 C ATOM 731 CG ARG A 56 1.993 3.795 -6.261 1.00 64.34 C ATOM 732 CD ARG A 56 0.996 3.463 -7.377 1.00 2.50 C ATOM 733 NE ARG A 56 1.675 2.960 -8.583 1.00 63.04 N ATOM 734 CZ ARG A 56 1.284 1.947 -9.366 1.00 24.20 C ATOM 735 NH1 ARG A 56 0.166 1.269 -9.153 1.00 22.30 N ATOM 736 NH2 ARG A 56 2.043 1.588 -10.381 1.00 71.45 N ATOM 0 H ARG A 56 0.738 1.858 -2.870 1.00 21.40 H new ATOM 0 HA ARG A 56 1.362 1.358 -5.690 1.00 14.40 H new ATOM 0 HB2 ARG A 56 0.490 3.572 -4.718 1.00 35.43 H new ATOM 0 HB3 ARG A 56 2.114 3.799 -4.099 1.00 35.43 H new ATOM 0 HG2 ARG A 56 2.142 4.874 -6.224 1.00 64.34 H new ATOM 0 HG3 ARG A 56 2.958 3.348 -6.499 1.00 64.34 H new ATOM 0 HD2 ARG A 56 0.287 2.716 -7.021 1.00 2.50 H new ATOM 0 HD3 ARG A 56 0.421 4.354 -7.628 1.00 2.50 H new ATOM 0 HE ARG A 56 2.537 3.435 -8.851 1.00 63.04 H new ATOM 0 HH11 ARG A 56 -0.436 1.512 -8.366 1.00 22.30 H new ATOM 0 HH12 ARG A 56 -0.093 0.504 -9.776 1.00 22.30 H new ATOM 0 HH21 ARG A 56 2.918 2.080 -10.563 1.00 71.45 H new ATOM 0 HH22 ARG A 56 1.756 0.818 -10.985 1.00 71.45 H new ATOM 747 N VAL A 57 3.867 1.149 -5.565 1.00 1.42 N ATOM 748 CA VAL A 57 5.279 0.861 -5.527 1.00 73.01 C ATOM 749 C VAL A 57 5.922 1.760 -6.580 1.00 20.24 C ATOM 750 O VAL A 57 5.842 1.499 -7.785 1.00 52.24 O ATOM 751 CB VAL A 57 5.505 -0.650 -5.725 1.00 2.52 C ATOM 752 CG1 VAL A 57 6.959 -0.983 -5.406 1.00 43.13 C ATOM 753 CG2 VAL A 57 4.619 -1.514 -4.810 1.00 64.12 C ATOM 0 H VAL A 57 3.478 1.149 -6.508 1.00 1.42 H new ATOM 0 HA VAL A 57 5.747 1.079 -4.567 1.00 73.01 H new ATOM 0 HB VAL A 57 5.249 -0.873 -6.761 1.00 2.52 H new ATOM 0 HG11 VAL A 57 7.126 -2.051 -5.544 1.00 43.13 H new ATOM 0 HG12 VAL A 57 7.615 -0.424 -6.073 1.00 43.13 H new ATOM 0 HG13 VAL A 57 7.176 -0.712 -4.373 1.00 43.13 H new ATOM 0 HG21 VAL A 57 4.824 -2.568 -4.996 1.00 64.12 H new ATOM 0 HG22 VAL A 57 4.836 -1.280 -3.768 1.00 64.12 H new ATOM 0 HG23 VAL A 57 3.569 -1.306 -5.018 1.00 64.12 H new ATOM 763 N ILE A 58 6.502 2.871 -6.128 1.00 3.42 N ATOM 764 CA ILE A 58 7.348 3.714 -6.956 1.00 71.04 C ATOM 765 C ILE A 58 8.625 2.924 -7.184 1.00 0.51 C ATOM 766 O ILE A 58 9.344 2.582 -6.238 1.00 63.13 O ATOM 767 CB ILE A 58 7.655 5.119 -6.369 1.00 34.03 C ATOM 768 CG1 ILE A 58 6.496 5.864 -5.677 1.00 72.34 C ATOM 769 CG2 ILE A 58 8.180 6.043 -7.485 1.00 54.54 C ATOM 770 CD1 ILE A 58 5.144 5.748 -6.383 1.00 73.34 C ATOM 0 H ILE A 58 6.395 3.209 -5.172 1.00 3.42 H new ATOM 0 HA ILE A 58 6.819 3.941 -7.881 1.00 71.04 H new ATOM 0 HB ILE A 58 8.384 4.906 -5.587 1.00 34.03 H new ATOM 0 HG12 ILE A 58 6.393 5.482 -4.661 1.00 72.34 H new ATOM 0 HG13 ILE A 58 6.758 6.919 -5.596 1.00 72.34 H new ATOM 0 HG21 ILE A 58 8.395 7.028 -7.071 1.00 54.54 H new ATOM 0 HG22 ILE A 58 9.091 5.621 -7.908 1.00 54.54 H new ATOM 0 HG23 ILE A 58 7.426 6.135 -8.266 1.00 54.54 H new ATOM 0 HD11 ILE A 58 4.392 6.304 -5.823 1.00 73.34 H new ATOM 0 HD12 ILE A 58 5.223 6.158 -7.390 1.00 73.34 H new ATOM 0 HD13 ILE A 58 4.852 4.699 -6.440 1.00 73.34 H new ATOM 781 N LYS A 59 8.876 2.623 -8.449 1.00 53.45 N ATOM 782 CA LYS A 59 9.996 1.805 -8.897 1.00 40.42 C ATOM 783 C LYS A 59 10.891 2.661 -9.772 1.00 55.15 C ATOM 784 O LYS A 59 10.487 3.744 -10.218 1.00 11.24 O ATOM 785 CB LYS A 59 9.472 0.548 -9.613 1.00 44.43 C ATOM 786 CG LYS A 59 8.703 -0.327 -8.610 1.00 12.22 C ATOM 787 CD LYS A 59 8.102 -1.605 -9.204 1.00 71.03 C ATOM 788 CE LYS A 59 7.126 -1.315 -10.356 1.00 11.24 C ATOM 789 NZ LYS A 59 5.986 -0.462 -9.945 1.00 51.13 N ATOM 0 H LYS A 59 8.289 2.950 -9.216 1.00 53.45 H new ATOM 0 HA LYS A 59 10.591 1.451 -8.055 1.00 40.42 H new ATOM 0 HB2 LYS A 59 8.820 0.832 -10.439 1.00 44.43 H new ATOM 0 HB3 LYS A 59 10.303 -0.014 -10.040 1.00 44.43 H new ATOM 0 HG2 LYS A 59 9.376 -0.602 -7.798 1.00 12.22 H new ATOM 0 HG3 LYS A 59 7.900 0.266 -8.172 1.00 12.22 H new ATOM 0 HD2 LYS A 59 8.905 -2.247 -9.565 1.00 71.03 H new ATOM 0 HD3 LYS A 59 7.581 -2.156 -8.421 1.00 71.03 H new ATOM 0 HE2 LYS A 59 7.665 -0.826 -11.168 1.00 11.24 H new ATOM 0 HE3 LYS A 59 6.745 -2.258 -10.749 1.00 11.24 H new ATOM 0 HZ1 LYS A 59 5.093 -0.947 -10.164 1.00 51.13 H new ATOM 0 HZ2 LYS A 59 6.039 -0.280 -8.922 1.00 51.13 H new ATOM 0 HZ3 LYS A 59 6.025 0.441 -10.459 1.00 51.13 H new ATOM 799 N ASP A 60 12.112 2.212 -9.997 1.00 52.21 N ATOM 800 CA ASP A 60 13.056 2.913 -10.846 1.00 23.22 C ATOM 801 C ASP A 60 12.570 2.907 -12.300 1.00 13.54 C ATOM 802 O ASP A 60 11.789 2.037 -12.691 1.00 61.12 O ATOM 803 CB ASP A 60 14.418 2.244 -10.680 1.00 72.44 C ATOM 804 CG ASP A 60 15.437 2.912 -11.582 1.00 42.42 C ATOM 805 OD1 ASP A 60 15.667 4.136 -11.408 1.00 63.15 O ATOM 806 OD2 ASP A 60 15.937 2.240 -12.501 1.00 61.31 O ATOM 0 H ASP A 60 12.477 1.349 -9.595 1.00 52.21 H new ATOM 0 HA ASP A 60 13.142 3.961 -10.558 1.00 23.22 H new ATOM 0 HB2 ASP A 60 14.741 2.311 -9.641 1.00 72.44 H new ATOM 0 HB3 ASP A 60 14.344 1.184 -10.924 1.00 72.44 H new ATOM 810 N LYS A 61 12.985 3.888 -13.108 1.00 42.42 N ATOM 811 CA LYS A 61 12.668 3.954 -14.537 1.00 40.13 C ATOM 812 C LYS A 61 13.654 3.112 -15.328 1.00 21.30 C ATOM 813 O LYS A 61 13.220 2.344 -16.189 1.00 31.11 O ATOM 814 CB LYS A 61 12.683 5.424 -14.997 1.00 20.32 C ATOM 815 CG LYS A 61 12.750 5.687 -16.516 1.00 12.51 C ATOM 816 CD LYS A 61 11.551 5.153 -17.317 1.00 61.42 C ATOM 817 CE LYS A 61 11.586 5.595 -18.794 1.00 31.20 C ATOM 818 NZ LYS A 61 11.155 6.995 -19.000 1.00 44.44 N ATOM 0 H LYS A 61 13.557 4.667 -12.783 1.00 42.42 H new ATOM 0 HA LYS A 61 11.671 3.550 -14.714 1.00 40.13 H new ATOM 0 HB2 LYS A 61 11.787 5.908 -14.610 1.00 20.32 H new ATOM 0 HB3 LYS A 61 13.537 5.915 -14.531 1.00 20.32 H new ATOM 0 HG2 LYS A 61 12.830 6.761 -16.681 1.00 12.51 H new ATOM 0 HG3 LYS A 61 13.661 5.236 -16.909 1.00 12.51 H new ATOM 0 HD2 LYS A 61 11.540 4.064 -17.267 1.00 61.42 H new ATOM 0 HD3 LYS A 61 10.626 5.503 -16.858 1.00 61.42 H new ATOM 0 HE2 LYS A 61 12.599 5.475 -19.177 1.00 31.20 H new ATOM 0 HE3 LYS A 61 10.944 4.936 -19.378 1.00 31.20 H new ATOM 0 HZ1 LYS A 61 11.202 7.227 -20.013 1.00 44.44 H new ATOM 0 HZ2 LYS A 61 10.178 7.111 -18.663 1.00 44.44 H new ATOM 0 HZ3 LYS A 61 11.782 7.633 -18.469 1.00 44.44 H new ATOM 828 N GLN A 62 14.954 3.266 -15.062 1.00 33.00 N ATOM 829 CA GLN A 62 16.001 2.634 -15.849 1.00 3.52 C ATOM 830 C GLN A 62 15.833 1.116 -15.831 1.00 34.43 C ATOM 831 O GLN A 62 16.078 0.453 -16.837 1.00 20.20 O ATOM 832 CB GLN A 62 17.391 2.992 -15.317 1.00 34.03 C ATOM 833 CG GLN A 62 17.650 4.451 -14.926 1.00 42.24 C ATOM 834 CD GLN A 62 19.154 4.636 -14.740 1.00 61.22 C ATOM 835 OE1 GLN A 62 19.900 4.665 -15.715 1.00 12.33 O ATOM 836 NE2 GLN A 62 19.668 4.664 -13.526 1.00 4.40 N ATOM 0 H GLN A 62 15.305 3.835 -14.292 1.00 33.00 H new ATOM 0 HA GLN A 62 15.912 3.003 -16.871 1.00 3.52 H new ATOM 0 HB2 GLN A 62 17.586 2.371 -14.443 1.00 34.03 H new ATOM 0 HB3 GLN A 62 18.122 2.713 -16.075 1.00 34.03 H new ATOM 0 HG2 GLN A 62 17.277 5.123 -15.699 1.00 42.24 H new ATOM 0 HG3 GLN A 62 17.120 4.698 -14.006 1.00 42.24 H new ATOM 0 HE21 GLN A 62 19.054 4.640 -12.712 1.00 4.40 H new ATOM 0 HE22 GLN A 62 20.679 4.709 -13.401 1.00 4.40 H new ATOM 843 N THR A 63 15.393 0.565 -14.707 1.00 23.03 N ATOM 844 CA THR A 63 15.303 -0.853 -14.400 1.00 22.14 C ATOM 845 C THR A 63 13.879 -1.188 -13.969 1.00 24.31 C ATOM 846 O THR A 63 12.970 -0.369 -14.096 1.00 35.32 O ATOM 847 CB THR A 63 16.353 -1.173 -13.317 1.00 11.33 C ATOM 848 OG1 THR A 63 16.110 -0.426 -12.142 1.00 1.51 O ATOM 849 CG2 THR A 63 17.779 -0.888 -13.774 1.00 34.40 C ATOM 0 H THR A 63 15.067 1.141 -13.931 1.00 23.03 H new ATOM 0 HA THR A 63 15.518 -1.471 -15.272 1.00 22.14 H new ATOM 0 HB THR A 63 16.257 -2.241 -13.119 1.00 11.33 H new ATOM 0 HG1 THR A 63 16.359 0.510 -12.292 1.00 1.51 H new ATOM 0 HG21 THR A 63 18.474 -1.132 -12.971 1.00 34.40 H new ATOM 0 HG22 THR A 63 18.009 -1.495 -14.650 1.00 34.40 H new ATOM 0 HG23 THR A 63 17.875 0.167 -14.029 1.00 34.40 H new ATOM 857 N GLN A 64 13.668 -2.413 -13.490 1.00 55.51 N ATOM 858 CA GLN A 64 12.428 -2.869 -12.881 1.00 24.41 C ATOM 859 C GLN A 64 12.798 -3.293 -11.471 1.00 40.25 C ATOM 860 O GLN A 64 12.776 -4.473 -11.126 1.00 1.13 O ATOM 861 CB GLN A 64 11.816 -3.996 -13.723 1.00 64.45 C ATOM 862 CG GLN A 64 11.432 -3.514 -15.125 1.00 12.30 C ATOM 863 CD GLN A 64 10.230 -2.575 -15.122 1.00 2.50 C ATOM 864 OE1 GLN A 64 9.084 -2.993 -15.288 1.00 1.23 O ATOM 865 NE2 GLN A 64 10.476 -1.288 -14.970 1.00 21.21 N ATOM 0 H GLN A 64 14.384 -3.138 -13.518 1.00 55.51 H new ATOM 0 HA GLN A 64 11.660 -2.097 -12.838 1.00 24.41 H new ATOM 0 HB2 GLN A 64 12.528 -4.817 -13.803 1.00 64.45 H new ATOM 0 HB3 GLN A 64 10.933 -4.388 -13.219 1.00 64.45 H new ATOM 0 HG2 GLN A 64 12.284 -3.004 -15.574 1.00 12.30 H new ATOM 0 HG3 GLN A 64 11.211 -4.377 -15.752 1.00 12.30 H new ATOM 0 HE21 GLN A 64 11.434 -0.964 -14.834 1.00 21.21 H new ATOM 0 HE22 GLN A 64 9.709 -0.616 -14.989 1.00 21.21 H new ATOM 872 N LEU A 65 13.247 -2.308 -10.693 1.00 2.21 N ATOM 873 CA LEU A 65 13.714 -2.478 -9.333 1.00 1.21 C ATOM 874 C LEU A 65 13.048 -1.421 -8.472 1.00 35.44 C ATOM 875 O LEU A 65 12.595 -0.379 -8.958 1.00 11.24 O ATOM 876 CB LEU A 65 15.237 -2.319 -9.248 1.00 20.41 C ATOM 877 CG LEU A 65 16.049 -3.310 -10.097 1.00 71.42 C ATOM 878 CD1 LEU A 65 17.513 -2.888 -10.039 1.00 23.43 C ATOM 879 CD2 LEU A 65 15.922 -4.769 -9.643 1.00 61.13 C ATOM 0 H LEU A 65 13.294 -1.340 -11.011 1.00 2.21 H new ATOM 0 HA LEU A 65 13.461 -3.480 -8.987 1.00 1.21 H new ATOM 0 HB2 LEU A 65 15.498 -1.306 -9.553 1.00 20.41 H new ATOM 0 HB3 LEU A 65 15.539 -2.426 -8.206 1.00 20.41 H new ATOM 0 HG LEU A 65 15.650 -3.276 -11.111 1.00 71.42 H new ATOM 0 HD11 LEU A 65 18.114 -3.576 -10.634 1.00 23.43 H new ATOM 0 HD12 LEU A 65 17.617 -1.878 -10.436 1.00 23.43 H new ATOM 0 HD13 LEU A 65 17.857 -2.908 -9.005 1.00 23.43 H new ATOM 0 HD21 LEU A 65 16.524 -5.406 -10.292 1.00 61.13 H new ATOM 0 HD22 LEU A 65 16.274 -4.862 -8.616 1.00 61.13 H new ATOM 0 HD23 LEU A 65 14.878 -5.078 -9.699 1.00 61.13 H new ATOM 890 N ASN A 66 12.980 -1.706 -7.188 1.00 0.33 N ATOM 891 CA ASN A 66 12.268 -0.880 -6.226 1.00 3.23 C ATOM 892 C ASN A 66 13.192 0.219 -5.700 1.00 40.22 C ATOM 893 O ASN A 66 14.414 0.127 -5.818 1.00 54.41 O ATOM 894 CB ASN A 66 11.777 -1.771 -5.093 1.00 73.11 C ATOM 895 CG ASN A 66 10.822 -2.849 -5.555 1.00 54.11 C ATOM 896 OD1 ASN A 66 9.637 -2.606 -5.746 1.00 55.24 O ATOM 897 ND2 ASN A 66 11.311 -4.057 -5.717 1.00 12.34 N ATOM 0 H ASN A 66 13.422 -2.527 -6.775 1.00 0.33 H new ATOM 0 HA ASN A 66 11.412 -0.398 -6.699 1.00 3.23 H new ATOM 0 HB2 ASN A 66 12.635 -2.238 -4.608 1.00 73.11 H new ATOM 0 HB3 ASN A 66 11.283 -1.154 -4.342 1.00 73.11 H new ATOM 0 HD21 ASN A 66 10.700 -4.820 -6.009 1.00 12.34 H new ATOM 0 HD22 ASN A 66 12.302 -4.232 -5.551 1.00 12.34 H new ATOM 903 N ARG A 67 12.622 1.258 -5.080 1.00 55.32 N ATOM 904 CA ARG A 67 13.353 2.466 -4.667 1.00 75.02 C ATOM 905 C ARG A 67 13.652 2.510 -3.161 1.00 75.13 C ATOM 906 O ARG A 67 13.996 3.569 -2.651 1.00 52.54 O ATOM 907 CB ARG A 67 12.584 3.719 -5.127 1.00 60.11 C ATOM 908 CG ARG A 67 12.506 3.867 -6.653 1.00 75.31 C ATOM 909 CD ARG A 67 11.698 5.117 -7.035 1.00 42.52 C ATOM 910 NE ARG A 67 12.543 6.235 -7.489 1.00 20.10 N ATOM 911 CZ ARG A 67 12.286 7.544 -7.364 1.00 3.40 C ATOM 912 NH1 ARG A 67 11.125 7.964 -6.869 1.00 21.01 N ATOM 913 NH2 ARG A 67 13.195 8.437 -7.725 1.00 64.13 N ATOM 0 H ARG A 67 11.629 1.286 -4.847 1.00 55.32 H new ATOM 0 HA ARG A 67 14.327 2.441 -5.155 1.00 75.02 H new ATOM 0 HB2 ARG A 67 11.573 3.683 -4.722 1.00 60.11 H new ATOM 0 HB3 ARG A 67 13.064 4.604 -4.709 1.00 60.11 H new ATOM 0 HG2 ARG A 67 13.511 3.936 -7.069 1.00 75.31 H new ATOM 0 HG3 ARG A 67 12.042 2.981 -7.086 1.00 75.31 H new ATOM 0 HD2 ARG A 67 10.992 4.859 -7.825 1.00 42.52 H new ATOM 0 HD3 ARG A 67 11.110 5.439 -6.175 1.00 42.52 H new ATOM 0 HE ARG A 67 13.419 5.985 -7.948 1.00 20.10 H new ATOM 0 HH11 ARG A 67 10.419 7.287 -6.580 1.00 21.01 H new ATOM 0 HH12 ARG A 67 10.941 8.963 -6.779 1.00 21.01 H new ATOM 0 HH21 ARG A 67 14.092 8.129 -8.099 1.00 64.13 H new ATOM 0 HH22 ARG A 67 12.998 9.433 -7.629 1.00 64.13 H new ATOM 924 N GLY A 68 13.480 1.412 -2.426 1.00 12.10 N ATOM 925 CA GLY A 68 13.834 1.308 -1.009 1.00 54.53 C ATOM 926 C GLY A 68 12.658 1.532 -0.062 1.00 53.12 C ATOM 927 O GLY A 68 12.779 1.308 1.143 1.00 43.24 O ATOM 0 H GLY A 68 13.083 0.552 -2.805 1.00 12.10 H new ATOM 0 HA2 GLY A 68 14.257 0.321 -0.821 1.00 54.53 H new ATOM 0 HA3 GLY A 68 14.613 2.036 -0.784 1.00 54.53 H new ATOM 931 N PHE A 69 11.507 1.932 -0.604 1.00 54.15 N ATOM 932 CA PHE A 69 10.299 2.295 0.118 1.00 14.42 C ATOM 933 C PHE A 69 9.082 1.895 -0.727 1.00 13.21 C ATOM 934 O PHE A 69 9.246 1.569 -1.910 1.00 60.14 O ATOM 935 CB PHE A 69 10.326 3.812 0.372 1.00 44.35 C ATOM 936 CG PHE A 69 9.864 4.654 -0.807 1.00 3.14 C ATOM 937 CD1 PHE A 69 10.635 4.779 -1.981 1.00 51.21 C ATOM 938 CD2 PHE A 69 8.623 5.302 -0.723 1.00 31.02 C ATOM 939 CE1 PHE A 69 10.173 5.571 -3.052 1.00 60.23 C ATOM 940 CE2 PHE A 69 8.172 6.108 -1.775 1.00 31.23 C ATOM 941 CZ PHE A 69 8.945 6.245 -2.941 1.00 4.40 C ATOM 0 H PHE A 69 11.392 2.014 -1.614 1.00 54.15 H new ATOM 0 HA PHE A 69 10.239 1.778 1.076 1.00 14.42 H new ATOM 0 HB2 PHE A 69 9.695 4.035 1.232 1.00 44.35 H new ATOM 0 HB3 PHE A 69 11.342 4.106 0.637 1.00 44.35 H new ATOM 0 HD1 PHE A 69 11.582 4.266 -2.060 1.00 51.21 H new ATOM 0 HD2 PHE A 69 8.012 5.178 0.159 1.00 31.02 H new ATOM 0 HE1 PHE A 69 10.760 5.659 -3.954 1.00 60.23 H new ATOM 0 HE2 PHE A 69 7.228 6.626 -1.691 1.00 31.23 H new ATOM 0 HZ PHE A 69 8.595 6.868 -3.751 1.00 4.40 H new ATOM 950 N ALA A 70 7.867 1.963 -0.174 1.00 44.51 N ATOM 951 CA ALA A 70 6.595 1.839 -0.895 1.00 33.01 C ATOM 952 C ALA A 70 5.504 2.636 -0.161 1.00 43.12 C ATOM 953 O ALA A 70 5.782 3.189 0.901 1.00 0.11 O ATOM 954 CB ALA A 70 6.233 0.360 -1.092 1.00 55.51 C ATOM 0 H ALA A 70 7.737 2.112 0.827 1.00 44.51 H new ATOM 0 HA ALA A 70 6.688 2.267 -1.893 1.00 33.01 H new ATOM 0 HB1 ALA A 70 5.287 0.285 -1.628 1.00 55.51 H new ATOM 0 HB2 ALA A 70 7.016 -0.133 -1.668 1.00 55.51 H new ATOM 0 HB3 ALA A 70 6.138 -0.124 -0.120 1.00 55.51 H new ATOM 960 N PHE A 71 4.288 2.720 -0.715 1.00 75.22 N ATOM 961 CA PHE A 71 3.148 3.495 -0.202 1.00 71.14 C ATOM 962 C PHE A 71 1.916 2.585 -0.149 1.00 32.44 C ATOM 963 O PHE A 71 1.805 1.668 -0.968 1.00 20.44 O ATOM 964 CB PHE A 71 2.850 4.668 -1.156 1.00 24.01 C ATOM 965 CG PHE A 71 3.400 6.004 -0.709 1.00 43.31 C ATOM 966 CD1 PHE A 71 2.892 6.591 0.463 1.00 15.11 C ATOM 967 CD2 PHE A 71 4.392 6.675 -1.451 1.00 1.51 C ATOM 968 CE1 PHE A 71 3.351 7.845 0.882 1.00 12.42 C ATOM 969 CE2 PHE A 71 4.877 7.920 -1.007 1.00 40.21 C ATOM 970 CZ PHE A 71 4.350 8.512 0.156 1.00 74.45 C ATOM 0 H PHE A 71 4.060 2.225 -1.577 1.00 75.22 H new ATOM 0 HA PHE A 71 3.384 3.878 0.791 1.00 71.14 H new ATOM 0 HB2 PHE A 71 3.260 4.432 -2.138 1.00 24.01 H new ATOM 0 HB3 PHE A 71 1.770 4.757 -1.274 1.00 24.01 H new ATOM 0 HD1 PHE A 71 2.144 6.072 1.043 1.00 15.11 H new ATOM 0 HD2 PHE A 71 4.779 6.235 -2.358 1.00 1.51 H new ATOM 0 HE1 PHE A 71 2.935 8.301 1.768 1.00 12.42 H new ATOM 0 HE2 PHE A 71 5.656 8.422 -1.561 1.00 40.21 H new ATOM 0 HZ PHE A 71 4.712 9.474 0.488 1.00 74.45 H new ATOM 979 N ILE A 72 0.939 2.870 0.717 1.00 61.33 N ATOM 980 CA ILE A 72 -0.358 2.194 0.718 1.00 21.44 C ATOM 981 C ILE A 72 -1.433 3.245 0.973 1.00 51.13 C ATOM 982 O ILE A 72 -1.464 3.835 2.057 1.00 74.05 O ATOM 983 CB ILE A 72 -0.428 1.056 1.764 1.00 4.52 C ATOM 984 CG1 ILE A 72 0.784 0.108 1.702 1.00 20.23 C ATOM 985 CG2 ILE A 72 -1.762 0.300 1.576 1.00 72.01 C ATOM 986 CD1 ILE A 72 0.726 -1.011 2.743 1.00 71.42 C ATOM 0 H ILE A 72 1.028 3.582 1.442 1.00 61.33 H new ATOM 0 HA ILE A 72 -0.515 1.717 -0.249 1.00 21.44 H new ATOM 0 HB ILE A 72 -0.391 1.496 2.761 1.00 4.52 H new ATOM 0 HG12 ILE A 72 0.842 -0.333 0.707 1.00 20.23 H new ATOM 0 HG13 ILE A 72 1.697 0.685 1.849 1.00 20.23 H new ATOM 0 HG21 ILE A 72 -1.829 -0.507 2.306 1.00 72.01 H new ATOM 0 HG22 ILE A 72 -2.594 0.989 1.720 1.00 72.01 H new ATOM 0 HG23 ILE A 72 -1.805 -0.116 0.570 1.00 72.01 H new ATOM 0 HD11 ILE A 72 1.608 -1.644 2.647 1.00 71.42 H new ATOM 0 HD12 ILE A 72 0.698 -0.577 3.742 1.00 71.42 H new ATOM 0 HD13 ILE A 72 -0.170 -1.611 2.583 1.00 71.42 H new ATOM 997 N GLN A 73 -2.291 3.486 -0.022 1.00 72.13 N ATOM 998 CA GLN A 73 -3.484 4.304 0.155 1.00 23.34 C ATOM 999 C GLN A 73 -4.481 3.512 1.012 1.00 51.53 C ATOM 1000 O GLN A 73 -4.761 2.351 0.704 1.00 24.21 O ATOM 1001 CB GLN A 73 -4.095 4.681 -1.208 1.00 0.21 C ATOM 1002 CG GLN A 73 -4.561 6.145 -1.183 1.00 32.13 C ATOM 1003 CD GLN A 73 -5.648 6.470 -2.202 1.00 31.33 C ATOM 1004 OE1 GLN A 73 -6.699 6.995 -1.839 1.00 34.12 O ATOM 1005 NE2 GLN A 73 -5.447 6.212 -3.481 1.00 1.10 N ATOM 0 H GLN A 73 -2.175 3.120 -0.967 1.00 72.13 H new ATOM 0 HA GLN A 73 -3.229 5.237 0.657 1.00 23.34 H new ATOM 0 HB2 GLN A 73 -3.359 4.538 -1.999 1.00 0.21 H new ATOM 0 HB3 GLN A 73 -4.936 4.026 -1.433 1.00 0.21 H new ATOM 0 HG2 GLN A 73 -4.931 6.380 -0.185 1.00 32.13 H new ATOM 0 HG3 GLN A 73 -3.702 6.791 -1.365 1.00 32.13 H new ATOM 0 HE21 GLN A 73 -4.575 5.777 -3.783 1.00 1.10 H new ATOM 0 HE22 GLN A 73 -6.163 6.448 -4.168 1.00 1.10 H new ATOM 1012 N LEU A 74 -4.994 4.118 2.084 1.00 73.01 N ATOM 1013 CA LEU A 74 -5.846 3.458 3.073 1.00 32.31 C ATOM 1014 C LEU A 74 -6.982 4.409 3.481 1.00 22.32 C ATOM 1015 O LEU A 74 -7.392 5.248 2.675 1.00 73.44 O ATOM 1016 CB LEU A 74 -4.985 2.936 4.249 1.00 35.30 C ATOM 1017 CG LEU A 74 -5.431 1.525 4.683 1.00 53.31 C ATOM 1018 CD1 LEU A 74 -4.703 0.449 3.872 1.00 14.23 C ATOM 1019 CD2 LEU A 74 -5.155 1.301 6.167 1.00 53.13 C ATOM 0 H LEU A 74 -4.825 5.102 2.293 1.00 73.01 H new ATOM 0 HA LEU A 74 -6.327 2.575 2.653 1.00 32.31 H new ATOM 0 HB2 LEU A 74 -3.936 2.914 3.953 1.00 35.30 H new ATOM 0 HB3 LEU A 74 -5.064 3.621 5.093 1.00 35.30 H new ATOM 0 HG LEU A 74 -6.503 1.451 4.500 1.00 53.31 H new ATOM 0 HD11 LEU A 74 -5.034 -0.537 4.196 1.00 14.23 H new ATOM 0 HD12 LEU A 74 -4.928 0.577 2.813 1.00 14.23 H new ATOM 0 HD13 LEU A 74 -3.628 0.540 4.029 1.00 14.23 H new ATOM 0 HD21 LEU A 74 -5.478 0.299 6.450 1.00 53.13 H new ATOM 0 HD22 LEU A 74 -4.087 1.406 6.358 1.00 53.13 H new ATOM 0 HD23 LEU A 74 -5.703 2.038 6.754 1.00 53.13 H new ATOM 1030 N SER A 75 -7.543 4.247 4.684 1.00 0.21 N ATOM 1031 CA SER A 75 -8.467 5.195 5.305 1.00 4.51 C ATOM 1032 C SER A 75 -7.905 5.625 6.670 1.00 12.41 C ATOM 1033 O SER A 75 -7.059 4.935 7.241 1.00 71.12 O ATOM 1034 CB SER A 75 -9.854 4.551 5.433 1.00 2.50 C ATOM 1035 OG SER A 75 -10.307 4.093 4.173 1.00 20.02 O ATOM 0 H SER A 75 -7.360 3.430 5.266 1.00 0.21 H new ATOM 0 HA SER A 75 -8.573 6.087 4.687 1.00 4.51 H new ATOM 0 HB2 SER A 75 -9.811 3.718 6.135 1.00 2.50 H new ATOM 0 HB3 SER A 75 -10.561 5.274 5.839 1.00 2.50 H new ATOM 0 HG SER A 75 -11.192 3.684 4.273 1.00 20.02 H new ATOM 1040 N THR A 76 -8.394 6.735 7.221 1.00 1.10 N ATOM 1041 CA THR A 76 -7.768 7.497 8.300 1.00 3.24 C ATOM 1042 C THR A 76 -7.391 6.640 9.504 1.00 40.13 C ATOM 1043 O THR A 76 -6.208 6.462 9.816 1.00 11.11 O ATOM 1044 CB THR A 76 -8.683 8.663 8.726 1.00 32.41 C ATOM 1045 OG1 THR A 76 -10.046 8.281 8.778 1.00 73.05 O ATOM 1046 CG2 THR A 76 -8.568 9.869 7.814 1.00 31.40 C ATOM 0 H THR A 76 -9.276 7.145 6.914 1.00 1.10 H new ATOM 0 HA THR A 76 -6.832 7.892 7.904 1.00 3.24 H new ATOM 0 HB THR A 76 -8.336 8.936 9.722 1.00 32.41 H new ATOM 0 HG1 THR A 76 -10.590 9.048 9.053 1.00 73.05 H new ATOM 0 HG21 THR A 76 -9.236 10.656 8.165 1.00 31.40 H new ATOM 0 HG22 THR A 76 -7.541 10.234 7.822 1.00 31.40 H new ATOM 0 HG23 THR A 76 -8.845 9.585 6.799 1.00 31.40 H new ATOM 1054 N ILE A 77 -8.402 6.156 10.218 1.00 51.12 N ATOM 1055 CA ILE A 77 -8.217 5.433 11.466 1.00 43.34 C ATOM 1056 C ILE A 77 -7.555 4.087 11.180 1.00 32.14 C ATOM 1057 O ILE A 77 -6.761 3.628 12.003 1.00 13.30 O ATOM 1058 CB ILE A 77 -9.579 5.333 12.189 1.00 61.42 C ATOM 1059 CG1 ILE A 77 -9.941 6.757 12.662 1.00 71.33 C ATOM 1060 CG2 ILE A 77 -9.544 4.350 13.366 1.00 41.31 C ATOM 1061 CD1 ILE A 77 -11.272 6.895 13.398 1.00 64.03 C ATOM 0 H ILE A 77 -9.379 6.256 9.943 1.00 51.12 H new ATOM 0 HA ILE A 77 -7.543 5.959 12.143 1.00 43.34 H new ATOM 0 HB ILE A 77 -10.334 4.943 11.506 1.00 61.42 H new ATOM 0 HG12 ILE A 77 -9.147 7.115 13.317 1.00 71.33 H new ATOM 0 HG13 ILE A 77 -9.958 7.415 11.793 1.00 71.33 H new ATOM 0 HG21 ILE A 77 -10.525 4.316 13.841 1.00 41.31 H new ATOM 0 HG22 ILE A 77 -9.282 3.356 13.003 1.00 41.31 H new ATOM 0 HG23 ILE A 77 -8.801 4.678 14.092 1.00 41.31 H new ATOM 0 HD11 ILE A 77 -11.424 7.936 13.684 1.00 64.03 H new ATOM 0 HD12 ILE A 77 -12.084 6.576 12.744 1.00 64.03 H new ATOM 0 HD13 ILE A 77 -11.260 6.272 14.292 1.00 64.03 H new ATOM 1072 N GLU A 78 -7.838 3.505 10.014 1.00 11.54 N ATOM 1073 CA GLU A 78 -7.314 2.227 9.545 1.00 12.44 C ATOM 1074 C GLU A 78 -5.794 2.320 9.370 1.00 12.52 C ATOM 1075 O GLU A 78 -5.068 1.412 9.771 1.00 51.14 O ATOM 1076 CB GLU A 78 -8.064 1.773 8.279 1.00 34.23 C ATOM 1077 CG GLU A 78 -9.498 1.401 8.675 1.00 21.30 C ATOM 1078 CD GLU A 78 -10.456 1.180 7.501 1.00 2.12 C ATOM 1079 OE1 GLU A 78 -10.252 0.251 6.683 1.00 74.12 O ATOM 1080 OE2 GLU A 78 -11.487 1.885 7.459 1.00 11.13 O ATOM 0 H GLU A 78 -8.471 3.936 9.340 1.00 11.54 H new ATOM 0 HA GLU A 78 -7.490 1.450 10.289 1.00 12.44 H new ATOM 0 HB2 GLU A 78 -8.070 2.570 7.535 1.00 34.23 H new ATOM 0 HB3 GLU A 78 -7.561 0.918 7.826 1.00 34.23 H new ATOM 0 HG2 GLU A 78 -9.469 0.493 9.277 1.00 21.30 H new ATOM 0 HG3 GLU A 78 -9.900 2.191 9.309 1.00 21.30 H new ATOM 1085 N ALA A 79 -5.298 3.456 8.875 1.00 34.03 N ATOM 1086 CA ALA A 79 -3.869 3.737 8.784 1.00 71.01 C ATOM 1087 C ALA A 79 -3.345 3.802 10.216 1.00 23.00 C ATOM 1088 O ALA A 79 -2.413 3.092 10.588 1.00 60.24 O ATOM 1089 CB ALA A 79 -3.601 5.026 7.970 1.00 64.01 C ATOM 0 H ALA A 79 -5.885 4.212 8.523 1.00 34.03 H new ATOM 0 HA ALA A 79 -3.339 2.955 8.240 1.00 71.01 H new ATOM 0 HB1 ALA A 79 -2.528 5.208 7.920 1.00 64.01 H new ATOM 0 HB2 ALA A 79 -3.996 4.908 6.961 1.00 64.01 H new ATOM 0 HB3 ALA A 79 -4.090 5.871 8.455 1.00 64.01 H new ATOM 1095 N ALA A 80 -4.015 4.591 11.056 1.00 44.11 N ATOM 1096 CA ALA A 80 -3.596 4.821 12.426 1.00 12.23 C ATOM 1097 C ALA A 80 -3.736 3.604 13.367 1.00 11.13 C ATOM 1098 O ALA A 80 -3.532 3.757 14.578 1.00 74.35 O ATOM 1099 CB ALA A 80 -4.331 6.048 12.972 1.00 60.02 C ATOM 0 H ALA A 80 -4.867 5.088 10.797 1.00 44.11 H new ATOM 0 HA ALA A 80 -2.521 5.002 12.399 1.00 12.23 H new ATOM 0 HB1 ALA A 80 -4.022 6.229 14.002 1.00 60.02 H new ATOM 0 HB2 ALA A 80 -4.089 6.918 12.362 1.00 60.02 H new ATOM 0 HB3 ALA A 80 -5.406 5.872 12.941 1.00 60.02 H new ATOM 1105 N GLN A 81 -4.166 2.431 12.892 1.00 4.33 N ATOM 1106 CA GLN A 81 -4.323 1.211 13.688 1.00 51.23 C ATOM 1107 C GLN A 81 -3.478 0.088 13.100 1.00 40.45 C ATOM 1108 O GLN A 81 -2.787 -0.605 13.846 1.00 11.32 O ATOM 1109 CB GLN A 81 -5.802 0.825 13.848 1.00 63.31 C ATOM 1110 CG GLN A 81 -6.471 0.379 12.551 1.00 75.15 C ATOM 1111 CD GLN A 81 -7.976 0.128 12.648 1.00 74.15 C ATOM 1112 OE1 GLN A 81 -8.719 0.868 13.287 1.00 15.50 O ATOM 1113 NE2 GLN A 81 -8.471 -0.890 11.959 1.00 62.32 N ATOM 0 H GLN A 81 -4.422 2.301 11.913 1.00 4.33 H new ATOM 0 HA GLN A 81 -3.956 1.401 14.696 1.00 51.23 H new ATOM 0 HB2 GLN A 81 -5.880 0.021 14.580 1.00 63.31 H new ATOM 0 HB3 GLN A 81 -6.348 1.678 14.252 1.00 63.31 H new ATOM 0 HG2 GLN A 81 -6.294 1.139 11.790 1.00 75.15 H new ATOM 0 HG3 GLN A 81 -5.988 -0.536 12.207 1.00 75.15 H new ATOM 0 HE21 GLN A 81 -7.847 -1.500 11.431 1.00 62.32 H new ATOM 0 HE22 GLN A 81 -9.476 -1.064 11.957 1.00 62.32 H new ATOM 1120 N LEU A 82 -3.461 -0.044 11.771 1.00 15.54 N ATOM 1121 CA LEU A 82 -2.733 -1.109 11.095 1.00 24.11 C ATOM 1122 C LEU A 82 -1.250 -1.054 11.449 1.00 64.05 C ATOM 1123 O LEU A 82 -0.634 -2.101 11.628 1.00 2.21 O ATOM 1124 CB LEU A 82 -2.967 -1.021 9.580 1.00 32.04 C ATOM 1125 CG LEU A 82 -2.389 -2.216 8.801 1.00 72.01 C ATOM 1126 CD1 LEU A 82 -3.096 -3.535 9.150 1.00 23.10 C ATOM 1127 CD2 LEU A 82 -2.545 -1.959 7.299 1.00 43.14 C ATOM 0 H LEU A 82 -3.953 0.587 11.138 1.00 15.54 H new ATOM 0 HA LEU A 82 -3.107 -2.075 11.435 1.00 24.11 H new ATOM 0 HB2 LEU A 82 -4.038 -0.956 9.389 1.00 32.04 H new ATOM 0 HB3 LEU A 82 -2.520 -0.101 9.204 1.00 32.04 H new ATOM 0 HG LEU A 82 -1.339 -2.312 9.078 1.00 72.01 H new ATOM 0 HD11 LEU A 82 -2.653 -4.348 8.575 1.00 23.10 H new ATOM 0 HD12 LEU A 82 -2.981 -3.739 10.215 1.00 23.10 H new ATOM 0 HD13 LEU A 82 -4.156 -3.455 8.908 1.00 23.10 H new ATOM 0 HD21 LEU A 82 -2.137 -2.802 6.741 1.00 43.14 H new ATOM 0 HD22 LEU A 82 -3.601 -1.841 7.058 1.00 43.14 H new ATOM 0 HD23 LEU A 82 -2.007 -1.050 7.028 1.00 43.14 H new ATOM 1138 N LEU A 83 -0.697 0.149 11.644 1.00 31.22 N ATOM 1139 CA LEU A 83 0.685 0.339 12.066 1.00 11.42 C ATOM 1140 C LEU A 83 1.007 -0.417 13.358 1.00 41.24 C ATOM 1141 O LEU A 83 2.111 -0.937 13.498 1.00 23.30 O ATOM 1142 CB LEU A 83 0.932 1.839 12.278 1.00 44.13 C ATOM 1143 CG LEU A 83 2.424 2.198 12.424 1.00 32.12 C ATOM 1144 CD1 LEU A 83 3.163 2.054 11.093 1.00 22.12 C ATOM 1145 CD2 LEU A 83 2.569 3.648 12.878 1.00 20.24 C ATOM 0 H LEU A 83 -1.206 1.023 11.510 1.00 31.22 H new ATOM 0 HA LEU A 83 1.335 -0.059 11.286 1.00 11.42 H new ATOM 0 HB2 LEU A 83 0.513 2.391 11.437 1.00 44.13 H new ATOM 0 HB3 LEU A 83 0.398 2.165 13.171 1.00 44.13 H new ATOM 0 HG LEU A 83 2.852 1.514 13.157 1.00 32.12 H new ATOM 0 HD11 LEU A 83 4.213 2.314 11.230 1.00 22.12 H new ATOM 0 HD12 LEU A 83 3.087 1.024 10.744 1.00 22.12 H new ATOM 0 HD13 LEU A 83 2.717 2.721 10.355 1.00 22.12 H new ATOM 0 HD21 LEU A 83 3.626 3.894 12.979 1.00 20.24 H new ATOM 0 HD22 LEU A 83 2.112 4.308 12.140 1.00 20.24 H new ATOM 0 HD23 LEU A 83 2.073 3.780 13.839 1.00 20.24 H new ATOM 1156 N GLN A 84 0.068 -0.480 14.308 1.00 11.51 N ATOM 1157 CA GLN A 84 0.277 -1.175 15.572 1.00 0.53 C ATOM 1158 C GLN A 84 0.316 -2.681 15.330 1.00 55.52 C ATOM 1159 O GLN A 84 1.233 -3.337 15.819 1.00 73.15 O ATOM 1160 CB GLN A 84 -0.799 -0.787 16.594 1.00 53.35 C ATOM 1161 CG GLN A 84 -0.644 0.652 17.107 1.00 40.43 C ATOM 1162 CD GLN A 84 -1.917 1.093 17.818 1.00 75.41 C ATOM 1163 OE1 GLN A 84 -2.106 0.884 19.013 1.00 73.21 O ATOM 1164 NE2 GLN A 84 -2.829 1.725 17.099 1.00 14.24 N ATOM 0 H GLN A 84 -0.853 -0.051 14.218 1.00 11.51 H new ATOM 0 HA GLN A 84 1.236 -0.874 15.993 1.00 0.53 H new ATOM 0 HB2 GLN A 84 -1.783 -0.901 16.139 1.00 53.35 H new ATOM 0 HB3 GLN A 84 -0.756 -1.475 17.438 1.00 53.35 H new ATOM 0 HG2 GLN A 84 0.203 0.714 17.790 1.00 40.43 H new ATOM 0 HG3 GLN A 84 -0.432 1.323 16.274 1.00 40.43 H new ATOM 0 HE21 GLN A 84 -2.667 1.896 16.107 1.00 14.24 H new ATOM 0 HE22 GLN A 84 -3.694 2.041 17.537 1.00 14.24 H new ATOM 1171 N ILE A 85 -0.610 -3.206 14.518 1.00 15.42 N ATOM 1172 CA ILE A 85 -0.604 -4.605 14.095 1.00 63.41 C ATOM 1173 C ILE A 85 0.769 -4.935 13.506 1.00 11.11 C ATOM 1174 O ILE A 85 1.343 -5.957 13.865 1.00 43.14 O ATOM 1175 CB ILE A 85 -1.769 -4.905 13.116 1.00 4.43 C ATOM 1176 CG1 ILE A 85 -3.113 -4.732 13.857 1.00 74.03 C ATOM 1177 CG2 ILE A 85 -1.673 -6.320 12.502 1.00 75.13 C ATOM 1178 CD1 ILE A 85 -4.344 -4.801 12.951 1.00 31.42 C ATOM 0 H ILE A 85 -1.387 -2.666 14.136 1.00 15.42 H new ATOM 0 HA ILE A 85 -0.772 -5.253 14.955 1.00 63.41 H new ATOM 0 HB ILE A 85 -1.703 -4.198 12.289 1.00 4.43 H new ATOM 0 HG12 ILE A 85 -3.195 -5.504 14.622 1.00 74.03 H new ATOM 0 HG13 ILE A 85 -3.109 -3.772 14.373 1.00 74.03 H new ATOM 0 HG21 ILE A 85 -2.512 -6.480 11.824 1.00 75.13 H new ATOM 0 HG22 ILE A 85 -0.738 -6.415 11.951 1.00 75.13 H new ATOM 0 HG23 ILE A 85 -1.702 -7.065 13.298 1.00 75.13 H new ATOM 0 HD11 ILE A 85 -5.245 -4.670 13.551 1.00 31.42 H new ATOM 0 HD12 ILE A 85 -4.289 -4.011 12.202 1.00 31.42 H new ATOM 0 HD13 ILE A 85 -4.376 -5.771 12.454 1.00 31.42 H new ATOM 1189 N LEU A 86 1.319 -4.085 12.632 1.00 21.33 N ATOM 1190 CA LEU A 86 2.541 -4.407 11.897 1.00 22.20 C ATOM 1191 C LEU A 86 3.752 -4.591 12.804 1.00 14.13 C ATOM 1192 O LEU A 86 4.650 -5.349 12.441 1.00 31.32 O ATOM 1193 CB LEU A 86 2.886 -3.319 10.872 1.00 62.43 C ATOM 1194 CG LEU A 86 1.864 -3.046 9.759 1.00 0.22 C ATOM 1195 CD1 LEU A 86 2.589 -2.595 8.497 1.00 15.44 C ATOM 1196 CD2 LEU A 86 1.013 -4.249 9.372 1.00 22.03 C ATOM 0 H LEU A 86 0.933 -3.166 12.418 1.00 21.33 H new ATOM 0 HA LEU A 86 2.327 -5.351 11.396 1.00 22.20 H new ATOM 0 HB2 LEU A 86 3.052 -2.387 11.413 1.00 62.43 H new ATOM 0 HB3 LEU A 86 3.832 -3.587 10.402 1.00 62.43 H new ATOM 0 HG LEU A 86 1.201 -2.282 10.166 1.00 0.22 H new ATOM 0 HD11 LEU A 86 1.861 -2.402 7.709 1.00 15.44 H new ATOM 0 HD12 LEU A 86 3.149 -1.683 8.705 1.00 15.44 H new ATOM 0 HD13 LEU A 86 3.276 -3.377 8.173 1.00 15.44 H new ATOM 0 HD21 LEU A 86 0.320 -3.965 8.580 1.00 22.03 H new ATOM 0 HD22 LEU A 86 1.659 -5.053 9.018 1.00 22.03 H new ATOM 0 HD23 LEU A 86 0.451 -4.591 10.241 1.00 22.03 H new ATOM 1207 N GLN A 87 3.805 -3.926 13.959 1.00 22.03 N ATOM 1208 CA GLN A 87 4.925 -4.071 14.884 1.00 4.13 C ATOM 1209 C GLN A 87 4.898 -5.440 15.595 1.00 62.12 C ATOM 1210 O GLN A 87 5.799 -5.745 16.381 1.00 21.20 O ATOM 1211 CB GLN A 87 4.933 -2.936 15.908 1.00 3.14 C ATOM 1212 CG GLN A 87 5.004 -1.522 15.312 1.00 14.52 C ATOM 1213 CD GLN A 87 6.358 -1.039 14.784 1.00 14.41 C ATOM 1214 OE1 GLN A 87 7.326 -1.787 14.670 1.00 21.10 O ATOM 1215 NE2 GLN A 87 6.456 0.239 14.427 1.00 44.51 N ATOM 0 H GLN A 87 3.082 -3.280 14.275 1.00 22.03 H new ATOM 0 HA GLN A 87 5.843 -4.017 14.299 1.00 4.13 H new ATOM 0 HB2 GLN A 87 4.033 -3.012 16.518 1.00 3.14 H new ATOM 0 HB3 GLN A 87 5.783 -3.075 16.575 1.00 3.14 H new ATOM 0 HG2 GLN A 87 4.286 -1.467 14.494 1.00 14.52 H new ATOM 0 HG3 GLN A 87 4.672 -0.819 16.076 1.00 14.52 H new ATOM 0 HE21 GLN A 87 5.651 0.858 14.522 1.00 44.51 H new ATOM 0 HE22 GLN A 87 7.336 0.599 14.058 1.00 44.51 H new ATOM 1222 N ALA A 88 3.872 -6.271 15.370 1.00 61.33 N ATOM 1223 CA ALA A 88 3.697 -7.544 16.055 1.00 63.25 C ATOM 1224 C ALA A 88 4.479 -8.686 15.399 1.00 2.52 C ATOM 1225 O ALA A 88 4.624 -9.737 16.028 1.00 11.51 O ATOM 1226 CB ALA A 88 2.204 -7.899 16.090 1.00 42.12 C ATOM 0 H ALA A 88 3.133 -6.069 14.696 1.00 61.33 H new ATOM 0 HA ALA A 88 4.091 -7.426 17.064 1.00 63.25 H new ATOM 0 HB1 ALA A 88 2.068 -8.852 16.602 1.00 42.12 H new ATOM 0 HB2 ALA A 88 1.657 -7.120 16.622 1.00 42.12 H new ATOM 0 HB3 ALA A 88 1.825 -7.978 15.071 1.00 42.12 H new ATOM 1232 N LEU A 89 4.940 -8.540 14.152 1.00 23.10 N ATOM 1233 CA LEU A 89 5.343 -9.674 13.319 1.00 3.14 C ATOM 1234 C LEU A 89 6.556 -9.368 12.448 1.00 41.25 C ATOM 1235 O LEU A 89 6.800 -8.217 12.084 1.00 42.41 O ATOM 1236 CB LEU A 89 4.166 -10.148 12.445 1.00 35.44 C ATOM 1237 CG LEU A 89 3.588 -9.106 11.454 1.00 0.32 C ATOM 1238 CD1 LEU A 89 3.134 -9.797 10.173 1.00 44.33 C ATOM 1239 CD2 LEU A 89 2.396 -8.356 12.050 1.00 2.33 C ATOM 0 H LEU A 89 5.043 -7.634 13.694 1.00 23.10 H new ATOM 0 HA LEU A 89 5.634 -10.473 14.001 1.00 3.14 H new ATOM 0 HB2 LEU A 89 4.491 -11.019 11.876 1.00 35.44 H new ATOM 0 HB3 LEU A 89 3.362 -10.478 13.103 1.00 35.44 H new ATOM 0 HG LEU A 89 4.382 -8.390 11.241 1.00 0.32 H new ATOM 0 HD11 LEU A 89 2.730 -9.056 9.484 1.00 44.33 H new ATOM 0 HD12 LEU A 89 3.984 -10.298 9.709 1.00 44.33 H new ATOM 0 HD13 LEU A 89 2.364 -10.531 10.409 1.00 44.33 H new ATOM 0 HD21 LEU A 89 2.020 -7.635 11.324 1.00 2.33 H new ATOM 0 HD22 LEU A 89 1.607 -9.066 12.299 1.00 2.33 H new ATOM 0 HD23 LEU A 89 2.710 -7.832 12.953 1.00 2.33 H new ATOM 1250 N HIS A 90 7.261 -10.425 12.044 1.00 75.22 N ATOM 1251 CA HIS A 90 8.152 -10.415 10.889 1.00 13.11 C ATOM 1252 C HIS A 90 7.266 -10.640 9.654 1.00 20.42 C ATOM 1253 O HIS A 90 6.302 -11.402 9.751 1.00 72.04 O ATOM 1254 CB HIS A 90 9.181 -11.558 10.995 1.00 52.21 C ATOM 1255 CG HIS A 90 10.352 -11.313 11.918 1.00 4.54 C ATOM 1256 ND1 HIS A 90 10.500 -10.288 12.827 1.00 4.42 N ATOM 1257 CD2 HIS A 90 11.489 -12.076 11.975 1.00 60.04 C ATOM 1258 CE1 HIS A 90 11.708 -10.417 13.396 1.00 71.15 C ATOM 1259 NE2 HIS A 90 12.354 -11.493 12.912 1.00 1.24 N ATOM 0 H HIS A 90 7.227 -11.326 12.520 1.00 75.22 H new ATOM 0 HA HIS A 90 8.699 -9.474 10.829 1.00 13.11 H new ATOM 0 HB2 HIS A 90 8.663 -12.457 11.329 1.00 52.21 H new ATOM 0 HB3 HIS A 90 9.568 -11.765 9.997 1.00 52.21 H new ATOM 0 HD2 HIS A 90 11.684 -12.969 11.400 1.00 60.04 H new ATOM 0 HE1 HIS A 90 12.108 -9.747 14.142 1.00 71.15 H new ATOM 0 HE2 HIS A 90 13.285 -11.819 13.174 1.00 1.24 H new ATOM 1266 N PRO A 91 7.559 -10.031 8.494 1.00 73.13 N ATOM 1267 CA PRO A 91 6.769 -10.218 7.282 1.00 23.03 C ATOM 1268 C PRO A 91 7.039 -11.594 6.645 1.00 15.42 C ATOM 1269 O PRO A 91 8.122 -12.152 6.829 1.00 11.33 O ATOM 1270 CB PRO A 91 7.205 -9.085 6.350 1.00 11.22 C ATOM 1271 CG PRO A 91 8.660 -8.863 6.751 1.00 4.31 C ATOM 1272 CD PRO A 91 8.658 -9.117 8.257 1.00 22.20 C ATOM 0 HA PRO A 91 5.699 -10.191 7.487 1.00 23.03 H new ATOM 0 HB2 PRO A 91 7.112 -9.365 5.301 1.00 11.22 H new ATOM 0 HB3 PRO A 91 6.604 -8.188 6.495 1.00 11.22 H new ATOM 0 HG2 PRO A 91 9.329 -9.548 6.229 1.00 4.31 H new ATOM 0 HG3 PRO A 91 8.992 -7.852 6.515 1.00 4.31 H new ATOM 0 HD2 PRO A 91 9.604 -9.548 8.584 1.00 22.20 H new ATOM 0 HD3 PRO A 91 8.523 -8.188 8.811 1.00 22.20 H new ATOM 1277 N PRO A 92 6.111 -12.110 5.818 1.00 33.00 N ATOM 1278 CA PRO A 92 6.166 -13.472 5.293 1.00 1.50 C ATOM 1279 C PRO A 92 7.182 -13.666 4.162 1.00 51.23 C ATOM 1280 O PRO A 92 7.255 -14.766 3.616 1.00 32.41 O ATOM 1281 CB PRO A 92 4.734 -13.780 4.832 1.00 22.24 C ATOM 1282 CG PRO A 92 4.181 -12.410 4.453 1.00 20.00 C ATOM 1283 CD PRO A 92 4.834 -11.500 5.488 1.00 2.54 C ATOM 0 HA PRO A 92 6.515 -14.159 6.064 1.00 1.50 H new ATOM 0 HB2 PRO A 92 4.724 -14.466 3.985 1.00 22.24 H new ATOM 0 HB3 PRO A 92 4.148 -14.244 5.625 1.00 22.24 H new ATOM 0 HG2 PRO A 92 4.452 -12.129 3.435 1.00 20.00 H new ATOM 0 HG3 PRO A 92 3.093 -12.379 4.513 1.00 20.00 H new ATOM 0 HD2 PRO A 92 4.974 -10.495 5.089 1.00 2.54 H new ATOM 0 HD3 PRO A 92 4.207 -11.406 6.375 1.00 2.54 H new ATOM 1288 N LEU A 93 7.951 -12.641 3.790 1.00 4.33 N ATOM 1289 CA LEU A 93 8.879 -12.604 2.664 1.00 14.23 C ATOM 1290 C LEU A 93 10.223 -12.136 3.206 1.00 44.35 C ATOM 1291 O LEU A 93 10.264 -11.158 3.962 1.00 2.21 O ATOM 1292 CB LEU A 93 8.351 -11.601 1.619 1.00 14.52 C ATOM 1293 CG LEU A 93 7.650 -12.185 0.380 1.00 63.04 C ATOM 1294 CD1 LEU A 93 8.663 -12.806 -0.582 1.00 0.11 C ATOM 1295 CD2 LEU A 93 6.523 -13.166 0.715 1.00 3.40 C ATOM 0 H LEU A 93 7.940 -11.759 4.302 1.00 4.33 H new ATOM 0 HA LEU A 93 8.979 -13.582 2.193 1.00 14.23 H new ATOM 0 HB2 LEU A 93 7.653 -10.929 2.118 1.00 14.52 H new ATOM 0 HB3 LEU A 93 9.190 -10.994 1.279 1.00 14.52 H new ATOM 0 HG LEU A 93 7.168 -11.344 -0.118 1.00 63.04 H new ATOM 0 HD11 LEU A 93 8.141 -13.211 -1.449 1.00 0.11 H new ATOM 0 HD12 LEU A 93 9.370 -12.043 -0.908 1.00 0.11 H new ATOM 0 HD13 LEU A 93 9.202 -13.607 -0.076 1.00 0.11 H new ATOM 0 HD21 LEU A 93 6.076 -13.536 -0.208 1.00 3.40 H new ATOM 0 HD22 LEU A 93 6.927 -14.004 1.284 1.00 3.40 H new ATOM 0 HD23 LEU A 93 5.763 -12.658 1.308 1.00 3.40 H new ATOM 1306 N THR A 94 11.329 -12.773 2.821 1.00 44.34 N ATOM 1307 CA THR A 94 12.657 -12.436 3.341 1.00 54.43 C ATOM 1308 C THR A 94 13.712 -12.678 2.258 1.00 64.02 C ATOM 1309 O THR A 94 14.500 -13.627 2.292 1.00 54.25 O ATOM 1310 CB THR A 94 12.933 -13.240 4.615 1.00 35.03 C ATOM 1311 OG1 THR A 94 11.822 -13.242 5.500 1.00 63.34 O ATOM 1312 CG2 THR A 94 14.163 -12.769 5.394 1.00 31.02 C ATOM 0 H THR A 94 11.331 -13.535 2.142 1.00 44.34 H new ATOM 0 HA THR A 94 12.700 -11.380 3.607 1.00 54.43 H new ATOM 0 HB THR A 94 13.125 -14.249 4.251 1.00 35.03 H new ATOM 0 HG1 THR A 94 12.040 -13.767 6.298 1.00 63.34 H new ATOM 0 HG21 THR A 94 14.290 -13.388 6.282 1.00 31.02 H new ATOM 0 HG22 THR A 94 15.048 -12.853 4.763 1.00 31.02 H new ATOM 0 HG23 THR A 94 14.028 -11.729 5.693 1.00 31.02 H new ATOM 1320 N ILE A 95 13.686 -11.828 1.246 1.00 71.21 N ATOM 1321 CA ILE A 95 14.709 -11.771 0.200 1.00 31.22 C ATOM 1322 C ILE A 95 16.016 -11.333 0.870 1.00 72.31 C ATOM 1323 O ILE A 95 15.965 -10.532 1.791 1.00 0.32 O ATOM 1324 CB ILE A 95 14.240 -10.828 -0.940 1.00 35.04 C ATOM 1325 CG1 ILE A 95 15.194 -10.785 -2.150 1.00 20.33 C ATOM 1326 CG2 ILE A 95 14.025 -9.372 -0.484 1.00 74.42 C ATOM 1327 CD1 ILE A 95 15.338 -12.119 -2.878 1.00 72.05 C ATOM 0 H ILE A 95 12.941 -11.142 1.120 1.00 71.21 H new ATOM 0 HA ILE A 95 14.877 -12.739 -0.272 1.00 31.22 H new ATOM 0 HB ILE A 95 13.290 -11.272 -1.238 1.00 35.04 H new ATOM 0 HG12 ILE A 95 14.835 -10.035 -2.855 1.00 20.33 H new ATOM 0 HG13 ILE A 95 16.178 -10.460 -1.812 1.00 20.33 H new ATOM 0 HG21 ILE A 95 13.698 -8.770 -1.332 1.00 74.42 H new ATOM 0 HG22 ILE A 95 13.264 -9.344 0.296 1.00 74.42 H new ATOM 0 HG23 ILE A 95 14.960 -8.971 -0.093 1.00 74.42 H new ATOM 0 HD11 ILE A 95 16.026 -12.004 -3.716 1.00 72.05 H new ATOM 0 HD12 ILE A 95 15.727 -12.869 -2.190 1.00 72.05 H new ATOM 0 HD13 ILE A 95 14.364 -12.438 -3.249 1.00 72.05 H new ATOM 1338 N ASP A 96 17.186 -11.796 0.430 1.00 74.24 N ATOM 1339 CA ASP A 96 18.493 -11.238 0.832 1.00 63.25 C ATOM 1340 C ASP A 96 18.720 -11.200 2.362 1.00 13.42 C ATOM 1341 O ASP A 96 19.561 -10.452 2.860 1.00 4.14 O ATOM 1342 CB ASP A 96 18.658 -9.836 0.202 1.00 51.52 C ATOM 1343 CG ASP A 96 20.062 -9.556 -0.339 1.00 23.04 C ATOM 1344 OD1 ASP A 96 21.047 -9.553 0.428 1.00 21.14 O ATOM 1345 OD2 ASP A 96 20.153 -9.310 -1.568 1.00 32.11 O ATOM 0 H ASP A 96 17.262 -12.577 -0.222 1.00 74.24 H new ATOM 0 HA ASP A 96 19.262 -11.912 0.455 1.00 63.25 H new ATOM 0 HB2 ASP A 96 17.939 -9.727 -0.610 1.00 51.52 H new ATOM 0 HB3 ASP A 96 18.411 -9.082 0.950 1.00 51.52 H new ATOM 1349 N GLY A 97 17.946 -11.956 3.149 1.00 21.22 N ATOM 1350 CA GLY A 97 17.954 -11.892 4.607 1.00 23.00 C ATOM 1351 C GLY A 97 17.395 -10.578 5.173 1.00 24.33 C ATOM 1352 O GLY A 97 17.862 -10.142 6.229 1.00 1.33 O ATOM 0 H GLY A 97 17.286 -12.640 2.779 1.00 21.22 H new ATOM 0 HA2 GLY A 97 17.370 -12.724 5.001 1.00 23.00 H new ATOM 0 HA3 GLY A 97 18.976 -12.024 4.962 1.00 23.00 H new ATOM 1356 N LYS A 98 16.419 -9.934 4.521 1.00 34.33 N ATOM 1357 CA LYS A 98 15.834 -8.662 4.957 1.00 1.40 C ATOM 1358 C LYS A 98 14.380 -8.823 5.379 1.00 34.21 C ATOM 1359 O LYS A 98 13.654 -9.628 4.802 1.00 74.45 O ATOM 1360 CB LYS A 98 16.012 -7.608 3.854 1.00 32.04 C ATOM 1361 CG LYS A 98 15.081 -7.737 2.638 1.00 3.50 C ATOM 1362 CD LYS A 98 13.829 -6.905 2.827 1.00 73.44 C ATOM 1363 CE LYS A 98 14.024 -5.480 2.350 1.00 62.22 C ATOM 1364 NZ LYS A 98 15.141 -4.752 2.994 1.00 32.04 N ATOM 0 H LYS A 98 16.006 -10.290 3.659 1.00 34.33 H new ATOM 0 HA LYS A 98 16.363 -8.317 5.845 1.00 1.40 H new ATOM 0 HB2 LYS A 98 15.866 -6.622 4.295 1.00 32.04 H new ATOM 0 HB3 LYS A 98 17.043 -7.650 3.503 1.00 32.04 H new ATOM 0 HG2 LYS A 98 15.605 -7.415 1.738 1.00 3.50 H new ATOM 0 HG3 LYS A 98 14.809 -8.782 2.492 1.00 3.50 H new ATOM 0 HD2 LYS A 98 13.003 -7.361 2.281 1.00 73.44 H new ATOM 0 HD3 LYS A 98 13.551 -6.901 3.881 1.00 73.44 H new ATOM 0 HE2 LYS A 98 14.192 -5.493 1.273 1.00 62.22 H new ATOM 0 HE3 LYS A 98 13.101 -4.926 2.522 1.00 62.22 H new ATOM 0 HZ1 LYS A 98 14.885 -3.750 3.104 1.00 32.04 H new ATOM 0 HZ2 LYS A 98 15.332 -5.166 3.929 1.00 32.04 H new ATOM 0 HZ3 LYS A 98 15.992 -4.828 2.402 1.00 32.04 H new ATOM 1374 N THR A 99 13.910 -7.954 6.270 1.00 41.33 N ATOM 1375 CA THR A 99 12.491 -7.780 6.558 1.00 12.51 C ATOM 1376 C THR A 99 12.072 -6.334 6.237 1.00 72.15 C ATOM 1377 O THR A 99 12.896 -5.531 5.796 1.00 0.22 O ATOM 1378 CB THR A 99 12.204 -8.226 7.996 1.00 40.32 C ATOM 1379 OG1 THR A 99 13.020 -7.528 8.906 1.00 4.11 O ATOM 1380 CG2 THR A 99 12.418 -9.733 8.182 1.00 31.32 C ATOM 0 H THR A 99 14.514 -7.343 6.820 1.00 41.33 H new ATOM 0 HA THR A 99 11.875 -8.414 5.920 1.00 12.51 H new ATOM 0 HB THR A 99 11.156 -8.000 8.193 1.00 40.32 H new ATOM 0 HG1 THR A 99 12.821 -7.825 9.818 1.00 4.11 H new ATOM 0 HG21 THR A 99 12.204 -10.006 9.215 1.00 31.32 H new ATOM 0 HG22 THR A 99 11.751 -10.280 7.516 1.00 31.32 H new ATOM 0 HG23 THR A 99 13.452 -9.985 7.947 1.00 31.32 H new ATOM 1388 N ILE A 100 10.787 -5.996 6.355 1.00 20.24 N ATOM 1389 CA ILE A 100 10.221 -4.741 5.859 1.00 72.03 C ATOM 1390 C ILE A 100 9.978 -3.860 7.083 1.00 21.13 C ATOM 1391 O ILE A 100 9.314 -4.304 8.026 1.00 51.51 O ATOM 1392 CB ILE A 100 8.921 -4.993 5.059 1.00 21.11 C ATOM 1393 CG1 ILE A 100 8.964 -6.099 3.964 1.00 12.53 C ATOM 1394 CG2 ILE A 100 8.466 -3.655 4.452 1.00 73.31 C ATOM 1395 CD1 ILE A 100 10.324 -6.491 3.367 1.00 75.02 C ATOM 0 H ILE A 100 10.098 -6.598 6.806 1.00 20.24 H new ATOM 0 HA ILE A 100 10.902 -4.247 5.166 1.00 72.03 H new ATOM 0 HB ILE A 100 8.210 -5.394 5.781 1.00 21.11 H new ATOM 0 HG12 ILE A 100 8.516 -6.999 4.385 1.00 12.53 H new ATOM 0 HG13 ILE A 100 8.323 -5.777 3.143 1.00 12.53 H new ATOM 0 HG21 ILE A 100 7.549 -3.807 3.882 1.00 73.31 H new ATOM 0 HG22 ILE A 100 8.282 -2.937 5.251 1.00 73.31 H new ATOM 0 HG23 ILE A 100 9.244 -3.271 3.792 1.00 73.31 H new ATOM 0 HD11 ILE A 100 10.182 -7.272 2.620 1.00 75.02 H new ATOM 0 HD12 ILE A 100 10.780 -5.619 2.898 1.00 75.02 H new ATOM 0 HD13 ILE A 100 10.976 -6.860 4.159 1.00 75.02 H new ATOM 1406 N ASN A 101 10.512 -2.637 7.090 1.00 2.54 N ATOM 1407 CA ASN A 101 10.353 -1.734 8.231 1.00 11.10 C ATOM 1408 C ASN A 101 8.918 -1.217 8.304 1.00 4.31 C ATOM 1409 O ASN A 101 8.173 -1.268 7.319 1.00 40.43 O ATOM 1410 CB ASN A 101 11.352 -0.560 8.195 1.00 75.42 C ATOM 1411 CG ASN A 101 12.225 -0.587 9.440 1.00 22.32 C ATOM 1412 OD1 ASN A 101 12.955 -1.555 9.664 1.00 24.41 O ATOM 1413 ND2 ASN A 101 12.142 0.429 10.277 1.00 20.12 N ATOM 0 H ASN A 101 11.057 -2.250 6.320 1.00 2.54 H new ATOM 0 HA ASN A 101 10.571 -2.310 9.131 1.00 11.10 H new ATOM 0 HB2 ASN A 101 11.974 -0.627 7.302 1.00 75.42 H new ATOM 0 HB3 ASN A 101 10.813 0.386 8.138 1.00 75.42 H new ATOM 0 HD21 ASN A 101 12.691 0.428 11.137 1.00 20.12 H new ATOM 0 HD22 ASN A 101 11.529 1.216 10.064 1.00 20.12 H new ATOM 1419 N VAL A 102 8.539 -0.678 9.458 1.00 4.44 N ATOM 1420 CA VAL A 102 7.178 -0.269 9.790 1.00 21.23 C ATOM 1421 C VAL A 102 7.200 1.251 9.974 1.00 33.41 C ATOM 1422 O VAL A 102 8.102 1.767 10.638 1.00 14.31 O ATOM 1423 CB VAL A 102 6.721 -1.062 11.036 1.00 0.50 C ATOM 1424 CG1 VAL A 102 5.290 -0.697 11.428 1.00 14.54 C ATOM 1425 CG2 VAL A 102 6.779 -2.585 10.805 1.00 74.43 C ATOM 0 H VAL A 102 9.197 -0.507 10.218 1.00 4.44 H new ATOM 0 HA VAL A 102 6.450 -0.492 9.010 1.00 21.23 H new ATOM 0 HB VAL A 102 7.411 -0.792 11.836 1.00 0.50 H new ATOM 0 HG11 VAL A 102 4.996 -1.270 12.307 1.00 14.54 H new ATOM 0 HG12 VAL A 102 5.235 0.368 11.654 1.00 14.54 H new ATOM 0 HG13 VAL A 102 4.617 -0.928 10.603 1.00 14.54 H new ATOM 0 HG21 VAL A 102 6.449 -3.102 11.706 1.00 74.43 H new ATOM 0 HG22 VAL A 102 6.126 -2.852 9.974 1.00 74.43 H new ATOM 0 HG23 VAL A 102 7.802 -2.879 10.572 1.00 74.43 H new ATOM 1435 N GLU A 103 6.296 1.981 9.311 1.00 55.22 N ATOM 1436 CA GLU A 103 6.219 3.441 9.350 1.00 33.00 C ATOM 1437 C GLU A 103 4.877 3.880 8.739 1.00 73.34 C ATOM 1438 O GLU A 103 4.187 3.081 8.106 1.00 53.11 O ATOM 1439 CB GLU A 103 7.404 4.014 8.542 1.00 64.42 C ATOM 1440 CG GLU A 103 7.686 5.513 8.748 1.00 2.51 C ATOM 1441 CD GLU A 103 9.099 5.869 8.264 1.00 34.10 C ATOM 1442 OE1 GLU A 103 10.054 5.233 8.763 1.00 35.43 O ATOM 1443 OE2 GLU A 103 9.249 6.725 7.358 1.00 74.21 O ATOM 0 H GLU A 103 5.581 1.560 8.718 1.00 55.22 H new ATOM 0 HA GLU A 103 6.276 3.811 10.374 1.00 33.00 H new ATOM 0 HB2 GLU A 103 8.302 3.454 8.802 1.00 64.42 H new ATOM 0 HB3 GLU A 103 7.216 3.840 7.483 1.00 64.42 H new ATOM 0 HG2 GLU A 103 6.950 6.105 8.204 1.00 2.51 H new ATOM 0 HG3 GLU A 103 7.583 5.766 9.803 1.00 2.51 H new ATOM 1448 N PHE A 104 4.510 5.153 8.884 1.00 12.42 N ATOM 1449 CA PHE A 104 3.365 5.798 8.263 1.00 52.54 C ATOM 1450 C PHE A 104 3.750 7.208 7.816 1.00 11.40 C ATOM 1451 O PHE A 104 4.750 7.755 8.288 1.00 15.34 O ATOM 1452 CB PHE A 104 2.130 5.784 9.179 1.00 3.42 C ATOM 1453 CG PHE A 104 2.139 6.464 10.545 1.00 34.42 C ATOM 1454 CD1 PHE A 104 3.323 6.703 11.271 1.00 55.53 C ATOM 1455 CD2 PHE A 104 0.902 6.740 11.160 1.00 35.22 C ATOM 1456 CE1 PHE A 104 3.265 7.125 12.609 1.00 75.24 C ATOM 1457 CE2 PHE A 104 0.843 7.190 12.491 1.00 64.03 C ATOM 1458 CZ PHE A 104 2.027 7.348 13.232 1.00 55.53 C ATOM 0 H PHE A 104 5.039 5.795 9.474 1.00 12.42 H new ATOM 0 HA PHE A 104 3.079 5.229 7.378 1.00 52.54 H new ATOM 0 HB2 PHE A 104 1.311 6.225 8.612 1.00 3.42 H new ATOM 0 HB3 PHE A 104 1.874 4.738 9.348 1.00 3.42 H new ATOM 0 HD1 PHE A 104 4.282 6.561 10.795 1.00 55.53 H new ATOM 0 HD2 PHE A 104 -0.013 6.604 10.602 1.00 35.22 H new ATOM 0 HE1 PHE A 104 4.179 7.279 13.163 1.00 75.24 H new ATOM 0 HE2 PHE A 104 -0.112 7.414 12.944 1.00 64.03 H new ATOM 0 HZ PHE A 104 1.985 7.638 14.271 1.00 55.53 H new ATOM 1467 N ALA A 105 2.959 7.800 6.920 1.00 14.20 N ATOM 1468 CA ALA A 105 3.172 9.134 6.373 1.00 51.42 C ATOM 1469 C ALA A 105 1.829 9.862 6.447 1.00 71.33 C ATOM 1470 O ALA A 105 1.155 10.064 5.437 1.00 24.23 O ATOM 1471 CB ALA A 105 3.754 9.014 4.958 1.00 54.24 C ATOM 0 H ALA A 105 2.126 7.346 6.545 1.00 14.20 H new ATOM 0 HA ALA A 105 3.900 9.718 6.936 1.00 51.42 H new ATOM 0 HB1 ALA A 105 3.915 10.010 4.545 1.00 54.24 H new ATOM 0 HB2 ALA A 105 4.704 8.481 4.999 1.00 54.24 H new ATOM 0 HB3 ALA A 105 3.057 8.466 4.323 1.00 54.24 H new ATOM 1477 N LYS A 106 1.405 10.115 7.684 1.00 54.13 N ATOM 1478 CA LYS A 106 0.103 10.591 8.122 1.00 24.31 C ATOM 1479 C LYS A 106 -0.006 12.111 7.950 1.00 54.11 C ATOM 1480 O LYS A 106 0.772 12.694 7.204 1.00 73.14 O ATOM 1481 CB LYS A 106 0.012 10.144 9.583 1.00 34.10 C ATOM 1482 CG LYS A 106 -1.388 9.833 10.120 1.00 20.01 C ATOM 1483 CD LYS A 106 -1.714 10.662 11.370 1.00 13.33 C ATOM 1484 CE LYS A 106 -2.592 9.970 12.422 1.00 71.15 C ATOM 1485 NZ LYS A 106 -3.916 9.565 11.915 1.00 55.35 N ATOM 0 H LYS A 106 2.029 9.977 8.479 1.00 54.13 H new ATOM 0 HA LYS A 106 -0.724 10.189 7.537 1.00 24.31 H new ATOM 0 HB2 LYS A 106 0.629 9.254 9.706 1.00 34.10 H new ATOM 0 HB3 LYS A 106 0.450 10.924 10.206 1.00 34.10 H new ATOM 0 HG2 LYS A 106 -2.128 10.036 9.346 1.00 20.01 H new ATOM 0 HG3 LYS A 106 -1.459 8.772 10.359 1.00 20.01 H new ATOM 0 HD2 LYS A 106 -0.777 10.955 11.843 1.00 13.33 H new ATOM 0 HD3 LYS A 106 -2.212 11.579 11.055 1.00 13.33 H new ATOM 0 HE2 LYS A 106 -2.070 9.089 12.795 1.00 71.15 H new ATOM 0 HE3 LYS A 106 -2.727 10.643 13.269 1.00 71.15 H new ATOM 0 HZ1 LYS A 106 -4.454 9.105 12.677 1.00 55.35 H new ATOM 0 HZ2 LYS A 106 -4.433 10.405 11.584 1.00 55.35 H new ATOM 0 HZ3 LYS A 106 -3.796 8.899 11.125 1.00 55.35 H new