USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=15 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 Single : A 25 THR OG1 : rot -7:sc= 0.867 USER MOD Single : A 30 ASN : amide:sc= 0.916 K(o=0.92,f=-0.7) USER MOD Single : A 32 ASN : amide:sc= -1.95 K(o=-1.9,f=-3.3!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot -160:sc= 0.691 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -149:sc= -0.421 (180deg=-2.17!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0024 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= 0.0391 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.394 K(o=0.39,f=-0.35) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 64 GLN : amide:sc= 0.249 X(o=0.25,f=-0.021) USER MOD Single : A 66 ASN : amide:sc= 0.102 K(o=0.1,f=-1.2) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 75 SER OG : rot 180:sc= 0.00753 USER MOD Single : A 76 THR OG1 : rot -31:sc= 1.23 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc=-0.00963 K(o=-0.0096,f=-0.8) 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 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.028 USER MOD Single : A 101 ASN : amide:sc= 0.196 K(o=0.2,f=-4.1!) USER MOD Single : A 106 LYS NZ :NH3+ 166:sc= 0.571 (180deg=0.403) USER MOD ----------------------------------------------------------------- ATOM 280 N ASP A 24 -3.709 10.212 3.627 1.00 43.10 N ATOM 281 CA ASP A 24 -3.473 8.948 4.312 1.00 12.31 C ATOM 282 C ASP A 24 -2.531 8.091 3.469 1.00 43.13 C ATOM 283 O ASP A 24 -2.665 7.994 2.245 1.00 21.32 O ATOM 284 CB ASP A 24 -4.793 8.268 4.723 1.00 44.10 C ATOM 285 CG ASP A 24 -5.965 8.303 3.727 1.00 3.45 C ATOM 286 OD1 ASP A 24 -5.749 8.524 2.516 1.00 54.20 O ATOM 287 OD2 ASP A 24 -7.123 8.238 4.206 1.00 1.24 O ATOM 0 HA ASP A 24 -2.967 9.118 5.263 1.00 12.31 H new ATOM 0 HB2 ASP A 24 -4.575 7.223 4.945 1.00 44.10 H new ATOM 0 HB3 ASP A 24 -5.130 8.728 5.652 1.00 44.10 H new ATOM 291 N THR A 25 -1.471 7.576 4.101 1.00 23.15 N ATOM 292 CA THR A 25 -0.460 6.720 3.492 1.00 32.03 C ATOM 293 C THR A 25 0.236 5.916 4.601 1.00 40.31 C ATOM 294 O THR A 25 0.665 6.500 5.606 1.00 73.33 O ATOM 295 CB THR A 25 0.560 7.604 2.754 1.00 2.23 C ATOM 296 OG1 THR A 25 -0.051 8.365 1.731 1.00 22.14 O ATOM 297 CG2 THR A 25 1.694 6.808 2.117 1.00 35.44 C ATOM 0 H THR A 25 -1.291 7.754 5.089 1.00 23.15 H new ATOM 0 HA THR A 25 -0.916 6.031 2.780 1.00 32.03 H new ATOM 0 HB THR A 25 0.970 8.255 3.526 1.00 2.23 H new ATOM 0 HG1 THR A 25 -0.985 8.087 1.630 1.00 22.14 H new ATOM 0 HG21 THR A 25 2.379 7.490 1.613 1.00 35.44 H new ATOM 0 HG22 THR A 25 2.232 6.259 2.890 1.00 35.44 H new ATOM 0 HG23 THR A 25 1.283 6.105 1.393 1.00 35.44 H new ATOM 305 N ILE A 26 0.442 4.614 4.385 1.00 14.43 N ATOM 306 CA ILE A 26 1.460 3.831 5.085 1.00 11.23 C ATOM 307 C ILE A 26 2.623 3.637 4.107 1.00 55.42 C ATOM 308 O ILE A 26 2.428 3.589 2.889 1.00 35.12 O ATOM 309 CB ILE A 26 0.859 2.504 5.616 1.00 3.21 C ATOM 310 CG1 ILE A 26 -0.249 2.731 6.665 1.00 0.32 C ATOM 311 CG2 ILE A 26 1.920 1.537 6.177 1.00 55.22 C ATOM 312 CD1 ILE A 26 0.229 3.362 7.977 1.00 72.53 C ATOM 0 H ILE A 26 -0.099 4.070 3.713 1.00 14.43 H new ATOM 0 HA ILE A 26 1.832 4.343 5.972 1.00 11.23 H new ATOM 0 HB ILE A 26 0.412 2.035 4.740 1.00 3.21 H new ATOM 0 HG12 ILE A 26 -1.017 3.370 6.229 1.00 0.32 H new ATOM 0 HG13 ILE A 26 -0.720 1.774 6.889 1.00 0.32 H new ATOM 0 HG21 ILE A 26 1.433 0.629 6.532 1.00 55.22 H new ATOM 0 HG22 ILE A 26 2.633 1.284 5.392 1.00 55.22 H new ATOM 0 HG23 ILE A 26 2.446 2.014 7.004 1.00 55.22 H new ATOM 0 HD11 ILE A 26 -0.618 3.483 8.652 1.00 72.53 H new ATOM 0 HD12 ILE A 26 0.974 2.716 8.441 1.00 72.53 H new ATOM 0 HD13 ILE A 26 0.672 4.337 7.772 1.00 72.53 H new ATOM 323 N ILE A 27 3.838 3.537 4.643 1.00 24.24 N ATOM 324 CA ILE A 27 5.074 3.350 3.896 1.00 61.30 C ATOM 325 C ILE A 27 5.822 2.201 4.575 1.00 63.00 C ATOM 326 O ILE A 27 5.824 2.105 5.799 1.00 31.12 O ATOM 327 CB ILE A 27 5.852 4.688 3.857 1.00 62.43 C ATOM 328 CG1 ILE A 27 7.032 4.741 2.861 1.00 0.23 C ATOM 329 CG2 ILE A 27 6.398 5.089 5.225 1.00 52.52 C ATOM 330 CD1 ILE A 27 6.597 5.304 1.512 1.00 53.51 C ATOM 0 H ILE A 27 3.991 3.586 5.650 1.00 24.24 H new ATOM 0 HA ILE A 27 4.914 3.079 2.852 1.00 61.30 H new ATOM 0 HB ILE A 27 5.089 5.387 3.516 1.00 62.43 H new ATOM 0 HG12 ILE A 27 7.831 5.357 3.274 1.00 0.23 H new ATOM 0 HG13 ILE A 27 7.440 3.740 2.724 1.00 0.23 H new ATOM 0 HG21 ILE A 27 6.934 6.034 5.140 1.00 52.52 H new ATOM 0 HG22 ILE A 27 5.572 5.202 5.927 1.00 52.52 H new ATOM 0 HG23 ILE A 27 7.078 4.317 5.586 1.00 52.52 H new ATOM 0 HD11 ILE A 27 7.451 5.327 0.835 1.00 53.51 H new ATOM 0 HD12 ILE A 27 5.816 4.672 1.089 1.00 53.51 H new ATOM 0 HD13 ILE A 27 6.213 6.315 1.647 1.00 53.51 H new ATOM 341 N LEU A 28 6.440 1.326 3.788 1.00 32.34 N ATOM 342 CA LEU A 28 7.217 0.184 4.268 1.00 33.13 C ATOM 343 C LEU A 28 8.674 0.499 3.984 1.00 35.05 C ATOM 344 O LEU A 28 8.957 1.076 2.930 1.00 15.44 O ATOM 345 CB LEU A 28 6.845 -1.100 3.509 1.00 54.30 C ATOM 346 CG LEU A 28 5.400 -1.617 3.622 1.00 34.35 C ATOM 347 CD1 LEU A 28 4.912 -1.757 5.066 1.00 11.15 C ATOM 348 CD2 LEU A 28 4.426 -0.761 2.807 1.00 15.54 C ATOM 0 H LEU A 28 6.415 1.392 2.770 1.00 32.34 H new ATOM 0 HA LEU A 28 7.021 0.023 5.328 1.00 33.13 H new ATOM 0 HB2 LEU A 28 7.059 -0.937 2.453 1.00 54.30 H new ATOM 0 HB3 LEU A 28 7.510 -1.893 3.850 1.00 54.30 H new ATOM 0 HG LEU A 28 5.420 -2.622 3.200 1.00 34.35 H new ATOM 0 HD11 LEU A 28 3.886 -2.126 5.069 1.00 11.15 H new ATOM 0 HD12 LEU A 28 5.552 -2.460 5.600 1.00 11.15 H new ATOM 0 HD13 LEU A 28 4.950 -0.785 5.559 1.00 11.15 H new ATOM 0 HD21 LEU A 28 3.416 -1.158 2.913 1.00 15.54 H new ATOM 0 HD22 LEU A 28 4.452 0.266 3.171 1.00 15.54 H new ATOM 0 HD23 LEU A 28 4.716 -0.781 1.756 1.00 15.54 H new ATOM 359 N ARG A 29 9.611 0.102 4.849 1.00 22.25 N ATOM 360 CA ARG A 29 11.025 0.477 4.702 1.00 23.23 C ATOM 361 C ARG A 29 11.924 -0.741 4.889 1.00 54.41 C ATOM 362 O ARG A 29 11.451 -1.757 5.391 1.00 33.34 O ATOM 363 CB ARG A 29 11.397 1.593 5.692 1.00 23.23 C ATOM 364 CG ARG A 29 10.352 2.720 5.780 1.00 11.41 C ATOM 365 CD ARG A 29 10.778 3.865 6.698 1.00 20.42 C ATOM 366 NE ARG A 29 12.009 4.522 6.224 1.00 0.23 N ATOM 367 CZ ARG A 29 12.207 5.839 6.097 1.00 42.24 C ATOM 368 NH1 ARG A 29 11.239 6.717 6.336 1.00 20.24 N ATOM 369 NH2 ARG A 29 13.396 6.263 5.691 1.00 52.24 N ATOM 0 H ARG A 29 9.417 -0.482 5.663 1.00 22.25 H new ATOM 0 HA ARG A 29 11.177 0.859 3.692 1.00 23.23 H new ATOM 0 HB2 ARG A 29 11.532 1.157 6.682 1.00 23.23 H new ATOM 0 HB3 ARG A 29 12.356 2.021 5.399 1.00 23.23 H new ATOM 0 HG2 ARG A 29 10.167 3.114 4.781 1.00 11.41 H new ATOM 0 HG3 ARG A 29 9.410 2.306 6.139 1.00 11.41 H new ATOM 0 HD2 ARG A 29 9.975 4.600 6.758 1.00 20.42 H new ATOM 0 HD3 ARG A 29 10.936 3.482 7.706 1.00 20.42 H new ATOM 0 HE ARG A 29 12.786 3.913 5.968 1.00 0.23 H new ATOM 0 HH11 ARG A 29 10.316 6.393 6.625 1.00 20.24 H new ATOM 0 HH12 ARG A 29 11.419 7.716 6.231 1.00 20.24 H new ATOM 0 HH21 ARG A 29 14.134 5.590 5.484 1.00 52.24 H new ATOM 0 HH22 ARG A 29 13.573 7.262 5.586 1.00 52.24 H new ATOM 380 N ASN A 30 13.202 -0.632 4.509 1.00 20.14 N ATOM 381 CA ASN A 30 14.169 -1.734 4.421 1.00 42.40 C ATOM 382 C ASN A 30 13.714 -2.814 3.444 1.00 34.33 C ATOM 383 O ASN A 30 13.428 -3.952 3.810 1.00 22.35 O ATOM 384 CB ASN A 30 14.526 -2.315 5.791 1.00 73.32 C ATOM 385 CG ASN A 30 15.719 -3.262 5.670 1.00 14.33 C ATOM 386 OD1 ASN A 30 16.721 -2.939 5.039 1.00 64.11 O ATOM 387 ND2 ASN A 30 15.640 -4.450 6.240 1.00 60.04 N ATOM 0 H ASN A 30 13.609 0.265 4.243 1.00 20.14 H new ATOM 0 HA ASN A 30 15.088 -1.306 4.021 1.00 42.40 H new ATOM 0 HB2 ASN A 30 14.762 -1.509 6.485 1.00 73.32 H new ATOM 0 HB3 ASN A 30 13.669 -2.849 6.202 1.00 73.32 H new ATOM 0 HD21 ASN A 30 16.415 -5.108 6.158 1.00 60.04 H new ATOM 0 HD22 ASN A 30 14.804 -4.710 6.763 1.00 60.04 H new ATOM 393 N LEU A 31 13.635 -2.441 2.167 1.00 4.23 N ATOM 394 CA LEU A 31 13.332 -3.337 1.064 1.00 61.24 C ATOM 395 C LEU A 31 14.521 -3.412 0.138 1.00 41.34 C ATOM 396 O LEU A 31 15.465 -2.625 0.224 1.00 75.22 O ATOM 397 CB LEU A 31 12.098 -2.877 0.276 1.00 0.45 C ATOM 398 CG LEU A 31 10.839 -3.025 1.123 1.00 60.30 C ATOM 399 CD1 LEU A 31 10.692 -1.920 2.143 1.00 74.22 C ATOM 400 CD2 LEU A 31 9.610 -3.029 0.228 1.00 60.31 C ATOM 0 H LEU A 31 13.785 -1.477 1.868 1.00 4.23 H new ATOM 0 HA LEU A 31 13.114 -4.320 1.481 1.00 61.24 H new ATOM 0 HB2 LEU A 31 12.219 -1.837 -0.027 1.00 0.45 H new ATOM 0 HB3 LEU A 31 12.001 -3.466 -0.636 1.00 0.45 H new ATOM 0 HG LEU A 31 10.930 -3.969 1.660 1.00 60.30 H new ATOM 0 HD11 LEU A 31 9.779 -2.075 2.718 1.00 74.22 H new ATOM 0 HD12 LEU A 31 11.550 -1.929 2.815 1.00 74.22 H new ATOM 0 HD13 LEU A 31 10.641 -0.958 1.633 1.00 74.22 H new ATOM 0 HD21 LEU A 31 8.714 -3.135 0.840 1.00 60.31 H new ATOM 0 HD22 LEU A 31 9.561 -2.092 -0.327 1.00 60.31 H new ATOM 0 HD23 LEU A 31 9.672 -3.863 -0.472 1.00 60.31 H new ATOM 411 N ASN A 32 14.409 -4.318 -0.815 1.00 14.21 N ATOM 412 CA ASN A 32 15.410 -4.577 -1.842 1.00 54.23 C ATOM 413 C ASN A 32 14.822 -4.260 -3.223 1.00 22.44 C ATOM 414 O ASN A 32 13.594 -4.203 -3.364 1.00 51.32 O ATOM 415 CB ASN A 32 15.893 -6.041 -1.738 1.00 62.32 C ATOM 416 CG ASN A 32 17.404 -6.195 -1.557 1.00 44.14 C ATOM 417 OD1 ASN A 32 18.116 -5.244 -1.235 1.00 4.22 O ATOM 418 ND2 ASN A 32 17.938 -7.374 -1.810 1.00 72.25 N ATOM 0 H ASN A 32 13.589 -4.918 -0.901 1.00 14.21 H new ATOM 0 HA ASN A 32 16.277 -3.933 -1.695 1.00 54.23 H new ATOM 0 HB2 ASN A 32 15.388 -6.519 -0.899 1.00 62.32 H new ATOM 0 HB3 ASN A 32 15.591 -6.576 -2.638 1.00 62.32 H new ATOM 0 HD21 ASN A 32 18.947 -7.502 -1.739 1.00 72.25 H new ATOM 0 HD22 ASN A 32 17.342 -8.157 -2.076 1.00 72.25 H new ATOM 424 N PRO A 33 15.658 -4.067 -4.261 1.00 52.51 N ATOM 425 CA PRO A 33 15.179 -3.781 -5.604 1.00 60.03 C ATOM 426 C PRO A 33 14.285 -4.900 -6.150 1.00 54.13 C ATOM 427 O PRO A 33 13.335 -4.596 -6.875 1.00 20.04 O ATOM 428 CB PRO A 33 16.416 -3.508 -6.468 1.00 14.44 C ATOM 429 CG PRO A 33 17.606 -4.002 -5.661 1.00 31.10 C ATOM 430 CD PRO A 33 17.108 -3.987 -4.220 1.00 43.11 C ATOM 0 HA PRO A 33 14.531 -2.904 -5.608 1.00 60.03 H new ATOM 0 HB2 PRO A 33 16.348 -4.029 -7.423 1.00 14.44 H new ATOM 0 HB3 PRO A 33 16.510 -2.445 -6.691 1.00 14.44 H new ATOM 0 HG2 PRO A 33 17.908 -5.003 -5.968 1.00 31.10 H new ATOM 0 HG3 PRO A 33 18.473 -3.354 -5.790 1.00 31.10 H new ATOM 0 HD2 PRO A 33 17.523 -4.826 -3.662 1.00 43.11 H new ATOM 0 HD3 PRO A 33 17.428 -3.077 -3.713 1.00 43.11 H new ATOM 435 N HIS A 34 14.519 -6.154 -5.746 1.00 23.10 N ATOM 436 CA HIS A 34 13.713 -7.319 -6.113 1.00 75.21 C ATOM 437 C HIS A 34 12.672 -7.730 -5.058 1.00 24.01 C ATOM 438 O HIS A 34 12.148 -8.843 -5.134 1.00 4.50 O ATOM 439 CB HIS A 34 14.631 -8.498 -6.481 1.00 23.12 C ATOM 440 CG HIS A 34 15.244 -8.316 -7.847 1.00 21.11 C ATOM 441 ND1 HIS A 34 14.665 -8.712 -9.030 1.00 12.24 N ATOM 442 CD2 HIS A 34 16.393 -7.635 -8.153 1.00 75.03 C ATOM 443 CE1 HIS A 34 15.442 -8.274 -10.030 1.00 11.20 C ATOM 444 NE2 HIS A 34 16.512 -7.618 -9.549 1.00 23.44 N ATOM 0 H HIS A 34 15.300 -6.391 -5.135 1.00 23.10 H new ATOM 0 HA HIS A 34 13.126 -7.023 -6.983 1.00 75.21 H new ATOM 0 HB2 HIS A 34 15.421 -8.591 -5.736 1.00 23.12 H new ATOM 0 HB3 HIS A 34 14.060 -9.426 -6.458 1.00 23.12 H new ATOM 0 HD2 HIS A 34 17.081 -7.193 -7.448 1.00 75.03 H new ATOM 0 HE1 HIS A 34 15.237 -8.427 -11.079 1.00 11.20 H new ATOM 0 HE2 HIS A 34 17.262 -7.192 -10.093 1.00 23.44 H new ATOM 451 N SER A 35 12.344 -6.900 -4.056 1.00 63.12 N ATOM 452 CA SER A 35 11.197 -7.224 -3.227 1.00 63.42 C ATOM 453 C SER A 35 9.949 -7.158 -4.109 1.00 11.20 C ATOM 454 O SER A 35 9.926 -6.412 -5.094 1.00 62.25 O ATOM 455 CB SER A 35 11.058 -6.275 -2.034 1.00 72.20 C ATOM 456 OG SER A 35 12.223 -6.219 -1.224 1.00 60.32 O ATOM 0 H SER A 35 12.837 -6.040 -3.815 1.00 63.12 H new ATOM 0 HA SER A 35 11.329 -8.223 -2.812 1.00 63.42 H new ATOM 0 HB2 SER A 35 10.829 -5.274 -2.399 1.00 72.20 H new ATOM 0 HB3 SER A 35 10.213 -6.592 -1.422 1.00 72.20 H new ATOM 0 HG SER A 35 11.989 -5.871 -0.338 1.00 60.32 H new ATOM 461 N THR A 36 8.896 -7.853 -3.714 1.00 35.04 N ATOM 462 CA THR A 36 7.614 -7.955 -4.425 1.00 1.40 C ATOM 463 C THR A 36 6.473 -7.421 -3.557 1.00 60.34 C ATOM 464 O THR A 36 6.625 -7.281 -2.343 1.00 12.22 O ATOM 465 CB THR A 36 7.358 -9.403 -4.876 1.00 60.22 C ATOM 466 OG1 THR A 36 7.804 -10.330 -3.906 1.00 35.24 O ATOM 467 CG2 THR A 36 8.031 -9.677 -6.220 1.00 64.13 C ATOM 0 H THR A 36 8.903 -8.391 -2.847 1.00 35.04 H new ATOM 0 HA THR A 36 7.661 -7.337 -5.321 1.00 1.40 H new ATOM 0 HB THR A 36 6.281 -9.527 -4.992 1.00 60.22 H new ATOM 0 HG1 THR A 36 7.627 -11.242 -4.219 1.00 35.24 H new ATOM 0 HG21 THR A 36 7.837 -10.707 -6.521 1.00 64.13 H new ATOM 0 HG22 THR A 36 7.630 -8.998 -6.973 1.00 64.13 H new ATOM 0 HG23 THR A 36 9.106 -9.522 -6.127 1.00 64.13 H new ATOM 475 N MET A 37 5.330 -7.093 -4.163 1.00 42.44 N ATOM 476 CA MET A 37 4.222 -6.449 -3.465 1.00 71.30 C ATOM 477 C MET A 37 3.529 -7.419 -2.501 1.00 40.22 C ATOM 478 O MET A 37 2.854 -6.991 -1.561 1.00 23.32 O ATOM 479 CB MET A 37 3.244 -5.848 -4.495 1.00 31.52 C ATOM 480 CG MET A 37 2.037 -6.728 -4.873 1.00 43.04 C ATOM 481 SD MET A 37 1.103 -6.214 -6.342 1.00 11.05 S ATOM 482 CE MET A 37 1.017 -4.420 -6.112 1.00 43.32 C ATOM 0 H MET A 37 5.149 -7.268 -5.152 1.00 42.44 H new ATOM 0 HA MET A 37 4.610 -5.637 -2.851 1.00 71.30 H new ATOM 0 HB2 MET A 37 2.870 -4.902 -4.103 1.00 31.52 H new ATOM 0 HB3 MET A 37 3.800 -5.619 -5.404 1.00 31.52 H new ATOM 0 HG2 MET A 37 2.391 -7.747 -5.031 1.00 43.04 H new ATOM 0 HG3 MET A 37 1.354 -6.756 -4.024 1.00 43.04 H new ATOM 0 HE1 MET A 37 0.093 -4.041 -6.548 1.00 43.32 H new ATOM 0 HE2 MET A 37 1.037 -4.188 -5.047 1.00 43.32 H new ATOM 0 HE3 MET A 37 1.869 -3.949 -6.602 1.00 43.32 H new ATOM 490 N ASP A 38 3.676 -8.726 -2.733 1.00 41.20 N ATOM 491 CA ASP A 38 2.884 -9.739 -2.047 1.00 21.45 C ATOM 492 C ASP A 38 3.262 -9.857 -0.570 1.00 34.33 C ATOM 493 O ASP A 38 2.442 -10.325 0.215 1.00 12.03 O ATOM 494 CB ASP A 38 2.978 -11.101 -2.754 1.00 35.25 C ATOM 495 CG ASP A 38 2.088 -11.197 -3.991 1.00 20.51 C ATOM 496 OD1 ASP A 38 0.947 -10.679 -3.983 1.00 42.11 O ATOM 497 OD2 ASP A 38 2.530 -11.768 -5.006 1.00 23.51 O ATOM 0 H ASP A 38 4.347 -9.107 -3.401 1.00 41.20 H new ATOM 0 HA ASP A 38 1.845 -9.412 -2.090 1.00 21.45 H new ATOM 0 HB2 ASP A 38 4.013 -11.283 -3.044 1.00 35.25 H new ATOM 0 HB3 ASP A 38 2.701 -11.888 -2.052 1.00 35.25 H new ATOM 501 N SER A 39 4.443 -9.383 -0.146 1.00 54.14 N ATOM 502 CA SER A 39 4.746 -9.225 1.272 1.00 74.31 C ATOM 503 C SER A 39 3.670 -8.396 1.974 1.00 14.05 C ATOM 504 O SER A 39 3.210 -8.780 3.045 1.00 61.13 O ATOM 505 CB SER A 39 6.144 -8.618 1.489 1.00 61.20 C ATOM 506 OG SER A 39 6.501 -7.630 0.543 1.00 74.41 O ATOM 0 H SER A 39 5.200 -9.104 -0.770 1.00 54.14 H new ATOM 0 HA SER A 39 4.750 -10.219 1.719 1.00 74.31 H new ATOM 0 HB2 SER A 39 6.187 -8.182 2.487 1.00 61.20 H new ATOM 0 HB3 SER A 39 6.884 -9.418 1.459 1.00 61.20 H new ATOM 0 HG SER A 39 7.398 -7.292 0.746 1.00 74.41 H new ATOM 511 N ILE A 40 3.263 -7.267 1.388 1.00 14.33 N ATOM 512 CA ILE A 40 2.286 -6.382 2.010 1.00 31.32 C ATOM 513 C ILE A 40 0.920 -7.075 1.986 1.00 24.52 C ATOM 514 O ILE A 40 0.205 -7.085 2.994 1.00 43.22 O ATOM 515 CB ILE A 40 2.253 -5.011 1.289 1.00 64.51 C ATOM 516 CG1 ILE A 40 3.637 -4.319 1.196 1.00 2.21 C ATOM 517 CG2 ILE A 40 1.301 -4.055 2.024 1.00 22.34 C ATOM 518 CD1 ILE A 40 4.408 -4.599 -0.098 1.00 24.51 C ATOM 0 H ILE A 40 3.599 -6.947 0.480 1.00 14.33 H new ATOM 0 HA ILE A 40 2.563 -6.183 3.045 1.00 31.32 H new ATOM 0 HB ILE A 40 1.915 -5.222 0.274 1.00 64.51 H new ATOM 0 HG12 ILE A 40 3.497 -3.242 1.293 1.00 2.21 H new ATOM 0 HG13 ILE A 40 4.245 -4.639 2.042 1.00 2.21 H new ATOM 0 HG21 ILE A 40 1.283 -3.093 1.511 1.00 22.34 H new ATOM 0 HG22 ILE A 40 0.297 -4.479 2.035 1.00 22.34 H new ATOM 0 HG23 ILE A 40 1.646 -3.914 3.048 1.00 22.34 H new ATOM 0 HD11 ILE A 40 5.363 -4.074 -0.073 1.00 24.51 H new ATOM 0 HD12 ILE A 40 4.585 -5.670 -0.191 1.00 24.51 H new ATOM 0 HD13 ILE A 40 3.825 -4.252 -0.951 1.00 24.51 H new ATOM 529 N LEU A 41 0.545 -7.652 0.839 1.00 75.21 N ATOM 530 CA LEU A 41 -0.761 -8.284 0.684 1.00 53.04 C ATOM 531 C LEU A 41 -0.917 -9.500 1.581 1.00 24.23 C ATOM 532 O LEU A 41 -2.028 -9.729 2.051 1.00 54.24 O ATOM 533 CB LEU A 41 -1.041 -8.659 -0.776 1.00 31.53 C ATOM 534 CG LEU A 41 -1.374 -7.445 -1.657 1.00 1.33 C ATOM 535 CD1 LEU A 41 -1.491 -7.905 -3.107 1.00 11.31 C ATOM 536 CD2 LEU A 41 -2.688 -6.754 -1.254 1.00 21.43 C ATOM 0 H LEU A 41 1.132 -7.692 0.006 1.00 75.21 H new ATOM 0 HA LEU A 41 -1.499 -7.544 0.993 1.00 53.04 H new ATOM 0 HB2 LEU A 41 -0.171 -9.171 -1.187 1.00 31.53 H new ATOM 0 HB3 LEU A 41 -1.871 -9.364 -0.811 1.00 31.53 H new ATOM 0 HG LEU A 41 -0.569 -6.721 -1.527 1.00 1.33 H new ATOM 0 HD11 LEU A 41 -1.727 -7.051 -3.742 1.00 11.31 H new ATOM 0 HD12 LEU A 41 -0.546 -8.344 -3.427 1.00 11.31 H new ATOM 0 HD13 LEU A 41 -2.283 -8.649 -3.190 1.00 11.31 H new ATOM 0 HD21 LEU A 41 -2.869 -5.904 -1.912 1.00 21.43 H new ATOM 0 HD22 LEU A 41 -3.512 -7.462 -1.340 1.00 21.43 H new ATOM 0 HD23 LEU A 41 -2.615 -6.406 -0.224 1.00 21.43 H new ATOM 547 N GLY A 42 0.163 -10.235 1.856 1.00 14.02 N ATOM 548 CA GLY A 42 0.128 -11.478 2.607 1.00 75.14 C ATOM 549 C GLY A 42 0.427 -11.313 4.089 1.00 21.45 C ATOM 550 O GLY A 42 0.102 -12.214 4.866 1.00 42.10 O ATOM 0 H GLY A 42 1.101 -9.972 1.554 1.00 14.02 H new ATOM 0 HA2 GLY A 42 -0.857 -11.932 2.494 1.00 75.14 H new ATOM 0 HA3 GLY A 42 0.850 -12.172 2.176 1.00 75.14 H new ATOM 554 N ALA A 43 1.018 -10.187 4.499 1.00 75.30 N ATOM 555 CA ALA A 43 1.224 -9.873 5.909 1.00 34.21 C ATOM 556 C ALA A 43 -0.071 -9.352 6.519 1.00 62.53 C ATOM 557 O ALA A 43 -0.416 -9.714 7.638 1.00 20.24 O ATOM 558 CB ALA A 43 2.321 -8.816 6.056 1.00 11.21 C ATOM 0 H ALA A 43 1.365 -9.471 3.861 1.00 75.30 H new ATOM 0 HA ALA A 43 1.529 -10.780 6.430 1.00 34.21 H new ATOM 0 HB1 ALA A 43 2.468 -8.588 7.112 1.00 11.21 H new ATOM 0 HB2 ALA A 43 3.251 -9.196 5.634 1.00 11.21 H new ATOM 0 HB3 ALA A 43 2.026 -7.910 5.527 1.00 11.21 H new ATOM 564 N LEU A 44 -0.771 -8.470 5.799 1.00 31.23 N ATOM 565 CA LEU A 44 -1.975 -7.813 6.300 1.00 71.33 C ATOM 566 C LEU A 44 -3.226 -8.381 5.630 1.00 41.32 C ATOM 567 O LEU A 44 -4.254 -7.714 5.632 1.00 11.11 O ATOM 568 CB LEU A 44 -1.882 -6.273 6.177 1.00 32.14 C ATOM 569 CG LEU A 44 -0.787 -5.532 6.972 1.00 44.13 C ATOM 570 CD1 LEU A 44 -0.458 -6.191 8.317 1.00 51.23 C ATOM 571 CD2 LEU A 44 0.493 -5.342 6.150 1.00 34.54 C ATOM 0 H LEU A 44 -0.516 -8.193 4.851 1.00 31.23 H new ATOM 0 HA LEU A 44 -2.057 -8.028 7.365 1.00 71.33 H new ATOM 0 HB2 LEU A 44 -1.745 -6.033 5.123 1.00 32.14 H new ATOM 0 HB3 LEU A 44 -2.845 -5.859 6.475 1.00 32.14 H new ATOM 0 HG LEU A 44 -1.211 -4.552 7.190 1.00 44.13 H new ATOM 0 HD11 LEU A 44 0.319 -5.618 8.822 1.00 51.23 H new ATOM 0 HD12 LEU A 44 -1.353 -6.216 8.939 1.00 51.23 H new ATOM 0 HD13 LEU A 44 -0.106 -7.209 8.147 1.00 51.23 H new ATOM 0 HD21 LEU A 44 1.236 -4.816 6.750 1.00 34.54 H new ATOM 0 HD22 LEU A 44 0.886 -6.316 5.858 1.00 34.54 H new ATOM 0 HD23 LEU A 44 0.269 -4.759 5.257 1.00 34.54 H new ATOM 582 N ALA A 45 -3.158 -9.570 5.026 1.00 20.21 N ATOM 583 CA ALA A 45 -4.248 -10.136 4.232 1.00 21.51 C ATOM 584 C ALA A 45 -5.594 -10.118 4.988 1.00 55.23 C ATOM 585 O ALA A 45 -6.532 -9.489 4.493 1.00 12.21 O ATOM 586 CB ALA A 45 -3.859 -11.515 3.664 1.00 34.43 C ATOM 0 H ALA A 45 -2.336 -10.172 5.076 1.00 20.21 H new ATOM 0 HA ALA A 45 -4.412 -9.491 3.369 1.00 21.51 H new ATOM 0 HB1 ALA A 45 -4.687 -11.914 3.078 1.00 34.43 H new ATOM 0 HB2 ALA A 45 -2.980 -11.412 3.027 1.00 34.43 H new ATOM 0 HB3 ALA A 45 -3.634 -12.196 4.485 1.00 34.43 H new ATOM 592 N PRO A 46 -5.723 -10.724 6.184 1.00 60.10 N ATOM 593 CA PRO A 46 -6.947 -10.663 6.974 1.00 60.10 C ATOM 594 C PRO A 46 -7.111 -9.361 7.765 1.00 43.10 C ATOM 595 O PRO A 46 -8.063 -9.253 8.540 1.00 41.31 O ATOM 596 CB PRO A 46 -6.885 -11.885 7.899 1.00 33.53 C ATOM 597 CG PRO A 46 -5.391 -12.005 8.167 1.00 4.43 C ATOM 598 CD PRO A 46 -4.758 -11.593 6.847 1.00 14.03 C ATOM 0 HA PRO A 46 -7.820 -10.676 6.322 1.00 60.10 H new ATOM 0 HB2 PRO A 46 -7.453 -11.731 8.817 1.00 33.53 H new ATOM 0 HB3 PRO A 46 -7.287 -12.779 7.422 1.00 33.53 H new ATOM 0 HG2 PRO A 46 -5.076 -11.355 8.983 1.00 4.43 H new ATOM 0 HG3 PRO A 46 -5.114 -13.022 8.445 1.00 4.43 H new ATOM 0 HD2 PRO A 46 -3.816 -11.071 7.014 1.00 14.03 H new ATOM 0 HD3 PRO A 46 -4.535 -12.466 6.233 1.00 14.03 H new ATOM 603 N TYR A 47 -6.232 -8.364 7.614 1.00 12.12 N ATOM 604 CA TYR A 47 -6.249 -7.119 8.392 1.00 54.13 C ATOM 605 C TYR A 47 -6.464 -5.899 7.505 1.00 61.14 C ATOM 606 O TYR A 47 -6.421 -4.774 8.004 1.00 33.35 O ATOM 607 CB TYR A 47 -4.977 -7.002 9.250 1.00 44.11 C ATOM 608 CG TYR A 47 -4.671 -8.274 10.016 1.00 64.24 C ATOM 609 CD1 TYR A 47 -5.690 -8.913 10.746 1.00 64.34 C ATOM 610 CD2 TYR A 47 -3.403 -8.875 9.921 1.00 54.10 C ATOM 611 CE1 TYR A 47 -5.457 -10.154 11.360 1.00 44.03 C ATOM 612 CE2 TYR A 47 -3.156 -10.108 10.542 1.00 23.55 C ATOM 613 CZ TYR A 47 -4.181 -10.752 11.271 1.00 51.20 C ATOM 614 OH TYR A 47 -3.956 -11.964 11.840 1.00 15.44 O ATOM 0 H TYR A 47 -5.473 -8.400 6.934 1.00 12.12 H new ATOM 0 HA TYR A 47 -7.102 -7.154 9.070 1.00 54.13 H new ATOM 0 HB2 TYR A 47 -4.131 -6.757 8.608 1.00 44.11 H new ATOM 0 HB3 TYR A 47 -5.092 -6.178 9.954 1.00 44.11 H new ATOM 0 HD1 TYR A 47 -6.659 -8.445 10.835 1.00 64.34 H new ATOM 0 HD2 TYR A 47 -2.616 -8.385 9.367 1.00 54.10 H new ATOM 0 HE1 TYR A 47 -6.251 -10.650 11.899 1.00 44.03 H new ATOM 0 HE2 TYR A 47 -2.181 -10.566 10.463 1.00 23.55 H new ATOM 0 HH TYR A 47 -3.026 -12.231 11.684 1.00 15.44 H new ATOM 623 N ALA A 48 -6.679 -6.111 6.207 1.00 2.44 N ATOM 624 CA ALA A 48 -6.730 -5.062 5.211 1.00 1.14 C ATOM 625 C ALA A 48 -7.649 -5.522 4.084 1.00 24.44 C ATOM 626 O ALA A 48 -7.279 -6.355 3.247 1.00 3.12 O ATOM 627 CB ALA A 48 -5.312 -4.728 4.735 1.00 52.30 C ATOM 0 H ALA A 48 -6.825 -7.043 5.818 1.00 2.44 H new ATOM 0 HA ALA A 48 -7.138 -4.139 5.623 1.00 1.14 H new ATOM 0 HB1 ALA A 48 -5.356 -3.938 3.985 1.00 52.30 H new ATOM 0 HB2 ALA A 48 -4.714 -4.392 5.582 1.00 52.30 H new ATOM 0 HB3 ALA A 48 -4.856 -5.617 4.299 1.00 52.30 H new ATOM 633 N VAL A 49 -8.876 -5.013 4.099 1.00 15.44 N ATOM 634 CA VAL A 49 -9.925 -5.328 3.142 1.00 1.04 C ATOM 635 C VAL A 49 -9.664 -4.491 1.887 1.00 4.05 C ATOM 636 O VAL A 49 -10.252 -3.434 1.670 1.00 1.13 O ATOM 637 CB VAL A 49 -11.287 -5.102 3.830 1.00 42.24 C ATOM 638 CG1 VAL A 49 -12.474 -5.166 2.860 1.00 0.14 C ATOM 639 CG2 VAL A 49 -11.499 -6.175 4.908 1.00 1.45 C ATOM 0 H VAL A 49 -9.177 -4.343 4.807 1.00 15.44 H new ATOM 0 HA VAL A 49 -9.935 -6.368 2.817 1.00 1.04 H new ATOM 0 HB VAL A 49 -11.254 -4.099 4.256 1.00 42.24 H new ATOM 0 HG11 VAL A 49 -13.401 -4.999 3.408 1.00 0.14 H new ATOM 0 HG12 VAL A 49 -12.361 -4.397 2.095 1.00 0.14 H new ATOM 0 HG13 VAL A 49 -12.504 -6.147 2.386 1.00 0.14 H new ATOM 0 HG21 VAL A 49 -12.461 -6.016 5.395 1.00 1.45 H new ATOM 0 HG22 VAL A 49 -11.484 -7.162 4.446 1.00 1.45 H new ATOM 0 HG23 VAL A 49 -10.702 -6.109 5.649 1.00 1.45 H new ATOM 649 N LEU A 50 -8.740 -4.959 1.058 1.00 13.43 N ATOM 650 CA LEU A 50 -8.208 -4.269 -0.110 1.00 4.34 C ATOM 651 C LEU A 50 -7.590 -5.270 -1.077 1.00 3.43 C ATOM 652 O LEU A 50 -7.489 -6.465 -0.779 1.00 60.10 O ATOM 653 CB LEU A 50 -7.192 -3.182 0.304 1.00 0.13 C ATOM 654 CG LEU A 50 -6.059 -3.588 1.268 1.00 11.05 C ATOM 655 CD1 LEU A 50 -5.070 -4.617 0.708 1.00 32.33 C ATOM 656 CD2 LEU A 50 -5.253 -2.350 1.671 1.00 32.44 C ATOM 0 H LEU A 50 -8.319 -5.879 1.189 1.00 13.43 H new ATOM 0 HA LEU A 50 -9.029 -3.767 -0.621 1.00 4.34 H new ATOM 0 HB2 LEU A 50 -6.735 -2.788 -0.603 1.00 0.13 H new ATOM 0 HB3 LEU A 50 -7.746 -2.363 0.764 1.00 0.13 H new ATOM 0 HG LEU A 50 -6.566 -4.053 2.113 1.00 11.05 H new ATOM 0 HD11 LEU A 50 -4.311 -4.838 1.459 1.00 32.33 H new ATOM 0 HD12 LEU A 50 -5.604 -5.532 0.451 1.00 32.33 H new ATOM 0 HD13 LEU A 50 -4.591 -4.213 -0.184 1.00 32.33 H new ATOM 0 HD21 LEU A 50 -4.454 -2.642 2.352 1.00 32.44 H new ATOM 0 HD22 LEU A 50 -4.822 -1.891 0.781 1.00 32.44 H new ATOM 0 HD23 LEU A 50 -5.909 -1.634 2.167 1.00 32.44 H new ATOM 667 N SER A 51 -7.128 -4.750 -2.208 1.00 75.50 N ATOM 668 CA SER A 51 -6.532 -5.480 -3.307 1.00 53.40 C ATOM 669 C SER A 51 -5.366 -4.649 -3.857 1.00 32.41 C ATOM 670 O SER A 51 -4.961 -3.634 -3.279 1.00 1.31 O ATOM 671 CB SER A 51 -7.625 -5.726 -4.357 1.00 33.31 C ATOM 672 OG SER A 51 -7.378 -6.908 -5.102 1.00 51.04 O ATOM 0 H SER A 51 -7.164 -3.747 -2.387 1.00 75.50 H new ATOM 0 HA SER A 51 -6.135 -6.447 -2.998 1.00 53.40 H new ATOM 0 HB2 SER A 51 -8.594 -5.802 -3.863 1.00 33.31 H new ATOM 0 HB3 SER A 51 -7.678 -4.873 -5.034 1.00 33.31 H new ATOM 0 HG SER A 51 -8.093 -7.035 -5.760 1.00 51.04 H new ATOM 677 N SER A 52 -4.801 -5.085 -4.980 1.00 72.43 N ATOM 678 CA SER A 52 -3.605 -4.524 -5.589 1.00 64.53 C ATOM 679 C SER A 52 -3.780 -3.111 -6.178 1.00 52.13 C ATOM 680 O SER A 52 -2.823 -2.568 -6.730 1.00 42.00 O ATOM 681 CB SER A 52 -3.049 -5.546 -6.591 1.00 44.21 C ATOM 682 OG SER A 52 -4.055 -6.098 -7.425 1.00 51.03 O ATOM 0 H SER A 52 -5.181 -5.870 -5.509 1.00 72.43 H new ATOM 0 HA SER A 52 -2.872 -4.352 -4.801 1.00 64.53 H new ATOM 0 HB2 SER A 52 -2.292 -5.066 -7.211 1.00 44.21 H new ATOM 0 HB3 SER A 52 -2.553 -6.349 -6.047 1.00 44.21 H new ATOM 0 HG SER A 52 -3.650 -6.740 -8.045 1.00 51.03 H new ATOM 687 N SER A 53 -4.952 -2.477 -6.051 1.00 51.34 N ATOM 688 CA SER A 53 -5.088 -1.033 -6.267 1.00 62.14 C ATOM 689 C SER A 53 -4.366 -0.228 -5.172 1.00 22.25 C ATOM 690 O SER A 53 -3.739 0.800 -5.440 1.00 15.52 O ATOM 691 CB SER A 53 -6.571 -0.658 -6.236 1.00 63.12 C ATOM 692 OG SER A 53 -7.310 -1.329 -7.239 1.00 72.31 O ATOM 0 H SER A 53 -5.823 -2.944 -5.799 1.00 51.34 H new ATOM 0 HA SER A 53 -4.641 -0.795 -7.232 1.00 62.14 H new ATOM 0 HB2 SER A 53 -6.986 -0.900 -5.257 1.00 63.12 H new ATOM 0 HB3 SER A 53 -6.675 0.419 -6.369 1.00 63.12 H new ATOM 0 HG SER A 53 -8.252 -1.064 -7.184 1.00 72.31 H new ATOM 697 N ASN A 54 -4.536 -0.672 -3.923 1.00 72.42 N ATOM 698 CA ASN A 54 -4.159 0.040 -2.704 1.00 34.15 C ATOM 699 C ASN A 54 -2.657 -0.036 -2.450 1.00 53.33 C ATOM 700 O ASN A 54 -2.008 0.985 -2.229 1.00 51.23 O ATOM 701 CB ASN A 54 -4.875 -0.587 -1.502 1.00 75.41 C ATOM 702 CG ASN A 54 -6.338 -0.196 -1.406 1.00 72.10 C ATOM 703 OD1 ASN A 54 -7.114 -0.508 -2.308 1.00 54.22 O ATOM 704 ND2 ASN A 54 -6.726 0.486 -0.349 1.00 14.05 N ATOM 0 H ASN A 54 -4.960 -1.579 -3.728 1.00 72.42 H new ATOM 0 HA ASN A 54 -4.446 1.084 -2.832 1.00 34.15 H new ATOM 0 HB2 ASN A 54 -4.799 -1.672 -1.568 1.00 75.41 H new ATOM 0 HB3 ASN A 54 -4.365 -0.287 -0.587 1.00 75.41 H new ATOM 0 HD21 ASN A 54 -7.700 0.774 -0.257 1.00 14.05 H new ATOM 0 HD22 ASN A 54 -6.053 0.726 0.378 1.00 14.05 H new ATOM 710 N VAL A 55 -2.115 -1.254 -2.414 1.00 20.54 N ATOM 711 CA VAL A 55 -0.686 -1.487 -2.278 1.00 23.44 C ATOM 712 C VAL A 55 -0.018 -0.967 -3.552 1.00 21.11 C ATOM 713 O VAL A 55 -0.482 -1.252 -4.659 1.00 14.44 O ATOM 714 CB VAL A 55 -0.411 -2.986 -2.015 1.00 71.11 C ATOM 715 CG1 VAL A 55 -1.138 -3.918 -2.992 1.00 63.33 C ATOM 716 CG2 VAL A 55 1.091 -3.312 -1.992 1.00 51.04 C ATOM 0 H VAL A 55 -2.665 -2.111 -2.479 1.00 20.54 H new ATOM 0 HA VAL A 55 -0.269 -0.956 -1.422 1.00 23.44 H new ATOM 0 HB VAL A 55 -0.819 -3.173 -1.022 1.00 71.11 H new ATOM 0 HG11 VAL A 55 -0.901 -4.954 -2.751 1.00 63.33 H new ATOM 0 HG12 VAL A 55 -2.214 -3.763 -2.910 1.00 63.33 H new ATOM 0 HG13 VAL A 55 -0.816 -3.700 -4.010 1.00 63.33 H new ATOM 0 HG21 VAL A 55 1.229 -4.377 -1.804 1.00 51.04 H new ATOM 0 HG22 VAL A 55 1.534 -3.053 -2.953 1.00 51.04 H new ATOM 0 HG23 VAL A 55 1.576 -2.738 -1.202 1.00 51.04 H new ATOM 726 N ARG A 56 1.087 -0.229 -3.425 1.00 60.42 N ATOM 727 CA ARG A 56 1.749 0.329 -4.588 1.00 15.22 C ATOM 728 C ARG A 56 3.253 0.228 -4.433 1.00 20.44 C ATOM 729 O ARG A 56 3.816 0.422 -3.354 1.00 14.55 O ATOM 730 CB ARG A 56 1.249 1.769 -4.802 1.00 1.35 C ATOM 731 CG ARG A 56 1.342 2.198 -6.266 1.00 14.13 C ATOM 732 CD ARG A 56 0.390 1.398 -7.171 1.00 12.15 C ATOM 733 NE ARG A 56 1.120 0.632 -8.194 1.00 2.13 N ATOM 734 CZ ARG A 56 1.370 1.028 -9.445 1.00 23.03 C ATOM 735 NH1 ARG A 56 1.041 2.241 -9.881 1.00 12.22 N ATOM 736 NH2 ARG A 56 2.000 0.188 -10.254 1.00 1.34 N ATOM 0 H ARG A 56 1.533 -0.010 -2.534 1.00 60.42 H new ATOM 0 HA ARG A 56 1.502 -0.238 -5.485 1.00 15.22 H new ATOM 0 HB2 ARG A 56 0.215 1.847 -4.467 1.00 1.35 H new ATOM 0 HB3 ARG A 56 1.836 2.451 -4.187 1.00 1.35 H new ATOM 0 HG2 ARG A 56 1.109 3.260 -6.346 1.00 14.13 H new ATOM 0 HG3 ARG A 56 2.366 2.069 -6.616 1.00 14.13 H new ATOM 0 HD2 ARG A 56 -0.203 0.716 -6.561 1.00 12.15 H new ATOM 0 HD3 ARG A 56 -0.308 2.080 -7.657 1.00 12.15 H new ATOM 0 HE ARG A 56 1.468 -0.288 -7.922 1.00 2.13 H new ATOM 0 HH11 ARG A 56 0.583 2.902 -9.253 1.00 12.22 H new ATOM 0 HH12 ARG A 56 1.247 2.510 -10.843 1.00 12.22 H new ATOM 0 HH21 ARG A 56 2.280 -0.733 -9.916 1.00 1.34 H new ATOM 0 HH22 ARG A 56 2.205 0.462 -11.215 1.00 1.34 H new ATOM 747 N VAL A 57 3.911 -0.080 -5.544 1.00 75.11 N ATOM 748 CA VAL A 57 5.344 -0.260 -5.618 1.00 64.10 C ATOM 749 C VAL A 57 5.854 0.850 -6.526 1.00 23.24 C ATOM 750 O VAL A 57 5.573 0.864 -7.733 1.00 21.02 O ATOM 751 CB VAL A 57 5.663 -1.683 -6.106 1.00 34.23 C ATOM 752 CG1 VAL A 57 7.175 -1.886 -6.193 1.00 71.14 C ATOM 753 CG2 VAL A 57 5.058 -2.742 -5.168 1.00 13.33 C ATOM 0 H VAL A 57 3.443 -0.214 -6.440 1.00 75.11 H new ATOM 0 HA VAL A 57 5.845 -0.180 -4.653 1.00 64.10 H new ATOM 0 HB VAL A 57 5.221 -1.801 -7.095 1.00 34.23 H new ATOM 0 HG11 VAL A 57 7.387 -2.897 -6.540 1.00 71.14 H new ATOM 0 HG12 VAL A 57 7.599 -1.166 -6.893 1.00 71.14 H new ATOM 0 HG13 VAL A 57 7.619 -1.739 -5.208 1.00 71.14 H new ATOM 0 HG21 VAL A 57 5.300 -3.738 -5.539 1.00 13.33 H new ATOM 0 HG22 VAL A 57 5.469 -2.618 -4.166 1.00 13.33 H new ATOM 0 HG23 VAL A 57 3.975 -2.621 -5.133 1.00 13.33 H new ATOM 763 N ILE A 58 6.525 1.832 -5.934 1.00 43.52 N ATOM 764 CA ILE A 58 7.265 2.845 -6.676 1.00 73.32 C ATOM 765 C ILE A 58 8.510 2.153 -7.217 1.00 22.22 C ATOM 766 O ILE A 58 8.949 1.131 -6.682 1.00 55.13 O ATOM 767 CB ILE A 58 7.604 4.057 -5.766 1.00 33.22 C ATOM 768 CG1 ILE A 58 6.429 4.460 -4.843 1.00 55.53 C ATOM 769 CG2 ILE A 58 8.060 5.289 -6.569 1.00 20.42 C ATOM 770 CD1 ILE A 58 5.094 4.664 -5.560 1.00 0.11 C ATOM 0 H ILE A 58 6.571 1.948 -4.922 1.00 43.52 H new ATOM 0 HA ILE A 58 6.679 3.255 -7.498 1.00 73.32 H new ATOM 0 HB ILE A 58 8.432 3.716 -5.145 1.00 33.22 H new ATOM 0 HG12 ILE A 58 6.303 3.691 -4.081 1.00 55.53 H new ATOM 0 HG13 ILE A 58 6.692 5.382 -4.324 1.00 55.53 H new ATOM 0 HG21 ILE A 58 8.284 6.107 -5.884 1.00 20.42 H new ATOM 0 HG22 ILE A 58 8.953 5.040 -7.142 1.00 20.42 H new ATOM 0 HG23 ILE A 58 7.266 5.594 -7.250 1.00 20.42 H new ATOM 0 HD11 ILE A 58 4.330 4.944 -4.834 1.00 0.11 H new ATOM 0 HD12 ILE A 58 5.197 5.456 -6.302 1.00 0.11 H new ATOM 0 HD13 ILE A 58 4.802 3.738 -6.055 1.00 0.11 H new ATOM 781 N LYS A 59 9.090 2.694 -8.277 1.00 73.03 N ATOM 782 CA LYS A 59 10.364 2.222 -8.822 1.00 53.30 C ATOM 783 C LYS A 59 11.201 3.457 -9.138 1.00 63.01 C ATOM 784 O LYS A 59 10.652 4.562 -9.224 1.00 75.42 O ATOM 785 CB LYS A 59 10.130 1.305 -10.042 1.00 23.05 C ATOM 786 CG LYS A 59 9.315 0.038 -9.696 1.00 55.10 C ATOM 787 CD LYS A 59 9.075 -0.935 -10.865 1.00 33.14 C ATOM 788 CE LYS A 59 8.213 -0.342 -11.995 1.00 20.00 C ATOM 789 NZ LYS A 59 7.874 -1.326 -13.051 1.00 72.14 N ATOM 0 H LYS A 59 8.691 3.479 -8.791 1.00 73.03 H new ATOM 0 HA LYS A 59 10.906 1.605 -8.106 1.00 53.30 H new ATOM 0 HB2 LYS A 59 9.608 1.866 -10.817 1.00 23.05 H new ATOM 0 HB3 LYS A 59 11.093 1.009 -10.457 1.00 23.05 H new ATOM 0 HG2 LYS A 59 9.831 -0.498 -8.900 1.00 55.10 H new ATOM 0 HG3 LYS A 59 8.348 0.346 -9.298 1.00 55.10 H new ATOM 0 HD2 LYS A 59 10.037 -1.240 -11.276 1.00 33.14 H new ATOM 0 HD3 LYS A 59 8.591 -1.834 -10.484 1.00 33.14 H new ATOM 0 HE2 LYS A 59 7.292 0.056 -11.569 1.00 20.00 H new ATOM 0 HE3 LYS A 59 8.744 0.496 -12.446 1.00 20.00 H new ATOM 0 HZ1 LYS A 59 7.294 -0.866 -13.781 1.00 72.14 H new ATOM 0 HZ2 LYS A 59 8.749 -1.688 -13.481 1.00 72.14 H new ATOM 0 HZ3 LYS A 59 7.342 -2.115 -12.632 1.00 72.14 H new ATOM 799 N ASP A 60 12.518 3.309 -9.255 1.00 15.22 N ATOM 800 CA ASP A 60 13.406 4.444 -9.471 1.00 35.45 C ATOM 801 C ASP A 60 13.201 5.049 -10.859 1.00 15.35 C ATOM 802 O ASP A 60 12.486 4.515 -11.708 1.00 31.15 O ATOM 803 CB ASP A 60 14.855 4.026 -9.198 1.00 35.22 C ATOM 804 CG ASP A 60 15.804 5.207 -9.367 1.00 60.00 C ATOM 805 OD1 ASP A 60 15.488 6.296 -8.827 1.00 15.21 O ATOM 806 OD2 ASP A 60 16.697 5.108 -10.225 1.00 73.03 O ATOM 0 H ASP A 60 12.994 2.408 -9.203 1.00 15.22 H new ATOM 0 HA ASP A 60 13.161 5.238 -8.766 1.00 35.45 H new ATOM 0 HB2 ASP A 60 14.939 3.629 -8.186 1.00 35.22 H new ATOM 0 HB3 ASP A 60 15.141 3.225 -9.879 1.00 35.22 H new ATOM 810 N LYS A 61 13.769 6.229 -11.071 1.00 31.04 N ATOM 811 CA LYS A 61 13.769 6.931 -12.320 1.00 64.02 C ATOM 812 C LYS A 61 14.891 6.390 -13.210 1.00 1.42 C ATOM 813 O LYS A 61 14.642 6.168 -14.394 1.00 62.22 O ATOM 814 CB LYS A 61 13.930 8.410 -11.960 1.00 1.22 C ATOM 815 CG LYS A 61 13.919 9.337 -13.178 1.00 75.01 C ATOM 816 CD LYS A 61 12.537 9.320 -13.852 1.00 54.50 C ATOM 817 CE LYS A 61 12.403 10.372 -14.952 1.00 2.53 C ATOM 818 NZ LYS A 61 11.000 10.475 -15.397 1.00 15.25 N ATOM 0 H LYS A 61 14.261 6.735 -10.334 1.00 31.04 H new ATOM 0 HA LYS A 61 12.853 6.797 -12.895 1.00 64.02 H new ATOM 0 HB2 LYS A 61 13.126 8.701 -11.284 1.00 1.22 H new ATOM 0 HB3 LYS A 61 14.866 8.545 -11.419 1.00 1.22 H new ATOM 0 HG2 LYS A 61 14.169 10.353 -12.872 1.00 75.01 H new ATOM 0 HG3 LYS A 61 14.682 9.022 -13.890 1.00 75.01 H new ATOM 0 HD2 LYS A 61 12.357 8.332 -14.276 1.00 54.50 H new ATOM 0 HD3 LYS A 61 11.768 9.489 -13.098 1.00 54.50 H new ATOM 0 HE2 LYS A 61 12.746 11.339 -14.583 1.00 2.53 H new ATOM 0 HE3 LYS A 61 13.040 10.108 -15.796 1.00 2.53 H new ATOM 0 HZ1 LYS A 61 10.925 11.194 -16.145 1.00 15.25 H new ATOM 0 HZ2 LYS A 61 10.685 9.556 -15.768 1.00 15.25 H new ATOM 0 HZ3 LYS A 61 10.400 10.748 -14.593 1.00 15.25 H new ATOM 828 N GLN A 62 16.100 6.226 -12.665 1.00 73.12 N ATOM 829 CA GLN A 62 17.345 5.852 -13.339 1.00 21.42 C ATOM 830 C GLN A 62 17.392 4.358 -13.660 1.00 54.21 C ATOM 831 O GLN A 62 18.095 3.943 -14.586 1.00 23.02 O ATOM 832 CB GLN A 62 18.551 6.165 -12.439 1.00 74.05 C ATOM 833 CG GLN A 62 18.446 7.493 -11.678 1.00 75.12 C ATOM 834 CD GLN A 62 19.656 7.772 -10.800 1.00 44.14 C ATOM 835 OE1 GLN A 62 19.533 7.933 -9.590 1.00 54.22 O ATOM 836 NE2 GLN A 62 20.842 7.858 -11.374 1.00 4.42 N ATOM 0 H GLN A 62 16.244 6.362 -11.664 1.00 73.12 H new ATOM 0 HA GLN A 62 17.384 6.426 -14.265 1.00 21.42 H new ATOM 0 HB2 GLN A 62 18.671 5.356 -11.719 1.00 74.05 H new ATOM 0 HB3 GLN A 62 19.452 6.182 -13.052 1.00 74.05 H new ATOM 0 HG2 GLN A 62 18.328 8.307 -12.393 1.00 75.12 H new ATOM 0 HG3 GLN A 62 17.549 7.480 -11.058 1.00 75.12 H new ATOM 0 HE21 GLN A 62 20.932 7.722 -12.381 1.00 4.42 H new ATOM 0 HE22 GLN A 62 21.668 8.060 -10.811 1.00 4.42 H new ATOM 843 N THR A 63 16.671 3.563 -12.878 1.00 24.22 N ATOM 844 CA THR A 63 16.501 2.128 -13.048 1.00 64.01 C ATOM 845 C THR A 63 15.009 1.851 -13.177 1.00 74.12 C ATOM 846 O THR A 63 14.201 2.779 -13.265 1.00 33.13 O ATOM 847 CB THR A 63 17.206 1.359 -11.903 1.00 24.32 C ATOM 848 OG1 THR A 63 16.411 1.311 -10.736 1.00 21.11 O ATOM 849 CG2 THR A 63 18.571 1.959 -11.545 1.00 72.35 C ATOM 0 H THR A 63 16.165 3.921 -12.068 1.00 24.22 H new ATOM 0 HA THR A 63 16.981 1.765 -13.957 1.00 64.01 H new ATOM 0 HB THR A 63 17.357 0.348 -12.282 1.00 24.32 H new ATOM 0 HG1 THR A 63 16.887 0.817 -10.036 1.00 21.11 H new ATOM 0 HG21 THR A 63 19.021 1.382 -10.737 1.00 72.35 H new ATOM 0 HG22 THR A 63 19.222 1.929 -12.419 1.00 72.35 H new ATOM 0 HG23 THR A 63 18.441 2.993 -11.224 1.00 72.35 H new ATOM 857 N GLN A 64 14.627 0.579 -13.216 1.00 15.33 N ATOM 858 CA GLN A 64 13.240 0.149 -13.177 1.00 32.01 C ATOM 859 C GLN A 64 13.037 -0.764 -11.967 1.00 34.10 C ATOM 860 O GLN A 64 12.280 -1.729 -12.040 1.00 15.30 O ATOM 861 CB GLN A 64 12.859 -0.485 -14.525 1.00 41.52 C ATOM 862 CG GLN A 64 12.958 0.493 -15.705 1.00 55.55 C ATOM 863 CD GLN A 64 11.883 1.581 -15.668 1.00 4.22 C ATOM 864 OE1 GLN A 64 10.703 1.359 -15.911 1.00 1.50 O ATOM 865 NE2 GLN A 64 12.229 2.794 -15.286 1.00 41.13 N ATOM 0 H GLN A 64 15.289 -0.195 -13.277 1.00 15.33 H new ATOM 0 HA GLN A 64 12.562 0.992 -13.044 1.00 32.01 H new ATOM 0 HB2 GLN A 64 13.510 -1.339 -14.714 1.00 41.52 H new ATOM 0 HB3 GLN A 64 11.840 -0.868 -14.464 1.00 41.52 H new ATOM 0 HG2 GLN A 64 13.942 0.961 -15.701 1.00 55.55 H new ATOM 0 HG3 GLN A 64 12.874 -0.063 -16.639 1.00 55.55 H new ATOM 0 HE21 GLN A 64 13.205 3.004 -15.078 1.00 41.13 H new ATOM 0 HE22 GLN A 64 11.521 3.523 -15.199 1.00 41.13 H new ATOM 872 N LEU A 65 13.711 -0.475 -10.853 1.00 4.12 N ATOM 873 CA LEU A 65 13.725 -1.307 -9.654 1.00 64.21 C ATOM 874 C LEU A 65 13.296 -0.483 -8.449 1.00 12.12 C ATOM 875 O LEU A 65 13.202 0.740 -8.529 1.00 55.51 O ATOM 876 CB LEU A 65 15.139 -1.817 -9.396 1.00 24.11 C ATOM 877 CG LEU A 65 15.774 -2.639 -10.527 1.00 13.20 C ATOM 878 CD1 LEU A 65 17.283 -2.547 -10.329 1.00 32.42 C ATOM 879 CD2 LEU A 65 15.282 -4.090 -10.520 1.00 71.33 C ATOM 0 H LEU A 65 14.277 0.368 -10.760 1.00 4.12 H new ATOM 0 HA LEU A 65 13.042 -2.143 -9.804 1.00 64.21 H new ATOM 0 HB2 LEU A 65 15.781 -0.960 -9.191 1.00 24.11 H new ATOM 0 HB3 LEU A 65 15.125 -2.428 -8.493 1.00 24.11 H new ATOM 0 HG LEU A 65 15.488 -2.245 -11.502 1.00 13.20 H new ATOM 0 HD11 LEU A 65 17.788 -3.116 -11.109 1.00 32.42 H new ATOM 0 HD12 LEU A 65 17.594 -1.504 -10.382 1.00 32.42 H new ATOM 0 HD13 LEU A 65 17.548 -2.955 -9.354 1.00 32.42 H new ATOM 0 HD21 LEU A 65 15.754 -4.638 -11.335 1.00 71.33 H new ATOM 0 HD22 LEU A 65 15.541 -4.557 -9.570 1.00 71.33 H new ATOM 0 HD23 LEU A 65 14.200 -4.108 -10.650 1.00 71.33 H new ATOM 890 N ASN A 66 13.059 -1.132 -7.312 1.00 64.23 N ATOM 891 CA ASN A 66 12.490 -0.449 -6.159 1.00 73.23 C ATOM 892 C ASN A 66 13.542 0.428 -5.477 1.00 63.02 C ATOM 893 O ASN A 66 14.631 -0.039 -5.128 1.00 33.34 O ATOM 894 CB ASN A 66 11.933 -1.452 -5.132 1.00 44.21 C ATOM 895 CG ASN A 66 10.899 -2.388 -5.735 1.00 31.34 C ATOM 896 OD1 ASN A 66 10.204 -2.031 -6.675 1.00 42.10 O ATOM 897 ND2 ASN A 66 10.800 -3.598 -5.221 1.00 14.23 N ATOM 0 H ASN A 66 13.251 -2.123 -7.167 1.00 64.23 H new ATOM 0 HA ASN A 66 11.674 0.174 -6.524 1.00 73.23 H new ATOM 0 HB2 ASN A 66 12.754 -2.039 -4.720 1.00 44.21 H new ATOM 0 HB3 ASN A 66 11.484 -0.906 -4.302 1.00 44.21 H new ATOM 0 HD21 ASN A 66 10.131 -4.263 -5.608 1.00 14.23 H new ATOM 0 HD22 ASN A 66 11.393 -3.869 -4.436 1.00 14.23 H new ATOM 903 N ARG A 67 13.170 1.661 -5.131 1.00 0.52 N ATOM 904 CA ARG A 67 13.893 2.601 -4.264 1.00 75.33 C ATOM 905 C ARG A 67 13.949 2.123 -2.799 1.00 61.10 C ATOM 906 O ARG A 67 14.195 2.913 -1.890 1.00 4.43 O ATOM 907 CB ARG A 67 13.248 4.004 -4.387 1.00 73.33 C ATOM 908 CG ARG A 67 13.565 4.710 -5.715 1.00 42.14 C ATOM 909 CD ARG A 67 12.960 6.126 -5.798 1.00 63.43 C ATOM 910 NE ARG A 67 13.600 6.900 -6.877 1.00 0.32 N ATOM 911 CZ ARG A 67 13.398 8.172 -7.238 1.00 71.20 C ATOM 912 NH1 ARG A 67 12.419 8.911 -6.725 1.00 31.21 N ATOM 913 NH2 ARG A 67 14.219 8.706 -8.130 1.00 22.34 N ATOM 0 H ARG A 67 12.295 2.060 -5.471 1.00 0.52 H new ATOM 0 HA ARG A 67 14.929 2.653 -4.597 1.00 75.33 H new ATOM 0 HB2 ARG A 67 12.167 3.909 -4.284 1.00 73.33 H new ATOM 0 HB3 ARG A 67 13.593 4.627 -3.562 1.00 73.33 H new ATOM 0 HG2 ARG A 67 14.646 4.774 -5.838 1.00 42.14 H new ATOM 0 HG3 ARG A 67 13.185 4.108 -6.541 1.00 42.14 H new ATOM 0 HD2 ARG A 67 11.887 6.059 -5.978 1.00 63.43 H new ATOM 0 HD3 ARG A 67 13.092 6.640 -4.846 1.00 63.43 H new ATOM 0 HE ARG A 67 14.295 6.394 -7.426 1.00 0.32 H new ATOM 0 HH11 ARG A 67 11.789 8.511 -6.030 1.00 31.21 H new ATOM 0 HH12 ARG A 67 12.298 9.878 -7.027 1.00 31.21 H new ATOM 0 HH21 ARG A 67 14.979 8.149 -8.521 1.00 22.34 H new ATOM 0 HH22 ARG A 67 14.091 9.674 -8.426 1.00 22.34 H new ATOM 924 N GLY A 68 13.718 0.839 -2.514 1.00 21.34 N ATOM 925 CA GLY A 68 13.914 0.288 -1.182 1.00 1.42 C ATOM 926 C GLY A 68 12.816 0.694 -0.205 1.00 73.03 C ATOM 927 O GLY A 68 13.095 0.820 0.985 1.00 12.33 O ATOM 0 H GLY A 68 13.391 0.159 -3.201 1.00 21.34 H new ATOM 0 HA2 GLY A 68 13.953 -0.799 -1.246 1.00 1.42 H new ATOM 0 HA3 GLY A 68 14.878 0.619 -0.796 1.00 1.42 H new ATOM 931 N PHE A 69 11.594 0.932 -0.684 1.00 11.42 N ATOM 932 CA PHE A 69 10.412 1.152 0.145 1.00 63.14 C ATOM 933 C PHE A 69 9.190 0.606 -0.601 1.00 20.32 C ATOM 934 O PHE A 69 9.308 0.230 -1.773 1.00 43.21 O ATOM 935 CB PHE A 69 10.287 2.647 0.493 1.00 63.11 C ATOM 936 CG PHE A 69 9.886 3.559 -0.645 1.00 74.04 C ATOM 937 CD1 PHE A 69 8.524 3.835 -0.861 1.00 33.41 C ATOM 938 CD2 PHE A 69 10.859 4.195 -1.435 1.00 74.43 C ATOM 939 CE1 PHE A 69 8.131 4.750 -1.849 1.00 21.35 C ATOM 940 CE2 PHE A 69 10.463 5.104 -2.431 1.00 44.32 C ATOM 941 CZ PHE A 69 9.103 5.380 -2.640 1.00 42.42 C ATOM 0 H PHE A 69 11.396 0.978 -1.684 1.00 11.42 H new ATOM 0 HA PHE A 69 10.491 0.621 1.094 1.00 63.14 H new ATOM 0 HB2 PHE A 69 9.555 2.754 1.294 1.00 63.11 H new ATOM 0 HB3 PHE A 69 11.244 2.990 0.888 1.00 63.11 H new ATOM 0 HD1 PHE A 69 7.775 3.339 -0.262 1.00 33.41 H new ATOM 0 HD2 PHE A 69 11.907 3.986 -1.277 1.00 74.43 H new ATOM 0 HE1 PHE A 69 7.084 4.968 -2.000 1.00 21.35 H new ATOM 0 HE2 PHE A 69 11.210 5.593 -3.039 1.00 44.32 H new ATOM 0 HZ PHE A 69 8.805 6.077 -3.409 1.00 42.42 H new ATOM 950 N ALA A 70 8.009 0.588 0.015 1.00 43.33 N ATOM 951 CA ALA A 70 6.715 0.414 -0.657 1.00 40.32 C ATOM 952 C ALA A 70 5.702 1.368 -0.019 1.00 24.04 C ATOM 953 O ALA A 70 6.015 2.007 0.984 1.00 74.20 O ATOM 954 CB ALA A 70 6.273 -1.056 -0.638 1.00 4.45 C ATOM 0 H ALA A 70 7.920 0.697 1.025 1.00 43.33 H new ATOM 0 HA ALA A 70 6.797 0.671 -1.713 1.00 40.32 H new ATOM 0 HB1 ALA A 70 5.312 -1.153 -1.143 1.00 4.45 H new ATOM 0 HB2 ALA A 70 7.016 -1.666 -1.152 1.00 4.45 H new ATOM 0 HB3 ALA A 70 6.177 -1.394 0.394 1.00 4.45 H new ATOM 960 N PHE A 71 4.532 1.499 -0.634 1.00 3.22 N ATOM 961 CA PHE A 71 3.553 2.565 -0.456 1.00 63.00 C ATOM 962 C PHE A 71 2.185 1.892 -0.329 1.00 22.32 C ATOM 963 O PHE A 71 1.975 0.842 -0.945 1.00 61.13 O ATOM 964 CB PHE A 71 3.630 3.424 -1.716 1.00 11.54 C ATOM 965 CG PHE A 71 3.009 4.778 -1.545 1.00 12.34 C ATOM 966 CD1 PHE A 71 3.737 5.753 -0.852 1.00 20.33 C ATOM 967 CD2 PHE A 71 1.724 5.071 -2.038 1.00 21.31 C ATOM 968 CE1 PHE A 71 3.209 7.031 -0.696 1.00 75.33 C ATOM 969 CE2 PHE A 71 1.187 6.356 -1.850 1.00 1.43 C ATOM 970 CZ PHE A 71 1.935 7.352 -1.195 1.00 33.41 C ATOM 0 H PHE A 71 4.220 0.812 -1.321 1.00 3.22 H new ATOM 0 HA PHE A 71 3.728 3.184 0.424 1.00 63.00 H new ATOM 0 HB2 PHE A 71 4.675 3.544 -2.003 1.00 11.54 H new ATOM 0 HB3 PHE A 71 3.132 2.903 -2.534 1.00 11.54 H new ATOM 0 HD1 PHE A 71 4.706 5.514 -0.440 1.00 20.33 H new ATOM 0 HD2 PHE A 71 1.155 4.314 -2.557 1.00 21.31 H new ATOM 0 HE1 PHE A 71 3.786 7.787 -0.184 1.00 75.33 H new ATOM 0 HE2 PHE A 71 0.194 6.581 -2.210 1.00 1.43 H new ATOM 0 HZ PHE A 71 1.536 8.349 -1.078 1.00 33.41 H new ATOM 979 N ILE A 72 1.252 2.462 0.432 1.00 53.11 N ATOM 980 CA ILE A 72 -0.079 1.892 0.625 1.00 1.21 C ATOM 981 C ILE A 72 -1.087 3.039 0.711 1.00 14.31 C ATOM 982 O ILE A 72 -0.996 3.863 1.628 1.00 54.44 O ATOM 983 CB ILE A 72 -0.140 1.023 1.906 1.00 71.40 C ATOM 984 CG1 ILE A 72 0.991 -0.021 2.052 1.00 74.23 C ATOM 985 CG2 ILE A 72 -1.505 0.311 1.954 1.00 23.21 C ATOM 986 CD1 ILE A 72 0.864 -0.859 3.334 1.00 2.22 C ATOM 0 H ILE A 72 1.400 3.337 0.935 1.00 53.11 H new ATOM 0 HA ILE A 72 -0.318 1.242 -0.217 1.00 1.21 H new ATOM 0 HB ILE A 72 -0.003 1.710 2.741 1.00 71.40 H new ATOM 0 HG12 ILE A 72 0.981 -0.684 1.187 1.00 74.23 H new ATOM 0 HG13 ILE A 72 1.954 0.490 2.051 1.00 74.23 H new ATOM 0 HG21 ILE A 72 -1.563 -0.305 2.851 1.00 23.21 H new ATOM 0 HG22 ILE A 72 -2.302 1.054 1.972 1.00 23.21 H new ATOM 0 HG23 ILE A 72 -1.617 -0.320 1.073 1.00 23.21 H new ATOM 0 HD11 ILE A 72 1.684 -1.575 3.383 1.00 2.22 H new ATOM 0 HD12 ILE A 72 0.902 -0.202 4.203 1.00 2.22 H new ATOM 0 HD13 ILE A 72 -0.085 -1.395 3.326 1.00 2.22 H new ATOM 997 N GLN A 73 -2.069 3.061 -0.196 1.00 75.22 N ATOM 998 CA GLN A 73 -3.284 3.849 -0.012 1.00 44.32 C ATOM 999 C GLN A 73 -4.205 3.075 0.925 1.00 72.40 C ATOM 1000 O GLN A 73 -4.473 1.891 0.703 1.00 54.34 O ATOM 1001 CB GLN A 73 -3.988 4.119 -1.350 1.00 75.12 C ATOM 1002 CG GLN A 73 -3.178 5.042 -2.276 1.00 14.33 C ATOM 1003 CD GLN A 73 -3.906 5.356 -3.589 1.00 0.43 C ATOM 1004 OE1 GLN A 73 -5.007 4.882 -3.863 1.00 53.13 O ATOM 1005 NE2 GLN A 73 -3.330 6.183 -4.439 1.00 51.14 N ATOM 0 H GLN A 73 -2.042 2.536 -1.070 1.00 75.22 H new ATOM 0 HA GLN A 73 -3.028 4.819 0.414 1.00 44.32 H new ATOM 0 HB2 GLN A 73 -4.169 3.171 -1.857 1.00 75.12 H new ATOM 0 HB3 GLN A 73 -4.962 4.569 -1.158 1.00 75.12 H new ATOM 0 HG2 GLN A 73 -2.962 5.974 -1.754 1.00 14.33 H new ATOM 0 HG3 GLN A 73 -2.220 4.573 -2.500 1.00 14.33 H new ATOM 0 HE21 GLN A 73 -2.417 6.582 -4.223 1.00 51.14 H new ATOM 0 HE22 GLN A 73 -3.798 6.423 -5.313 1.00 51.14 H new ATOM 1012 N LEU A 74 -4.663 3.724 1.993 1.00 75.14 N ATOM 1013 CA LEU A 74 -5.531 3.121 3.000 1.00 43.02 C ATOM 1014 C LEU A 74 -6.256 4.232 3.740 1.00 71.32 C ATOM 1015 O LEU A 74 -5.717 5.335 3.811 1.00 61.50 O ATOM 1016 CB LEU A 74 -4.694 2.313 4.007 1.00 43.11 C ATOM 1017 CG LEU A 74 -5.315 0.948 4.352 1.00 14.41 C ATOM 1018 CD1 LEU A 74 -4.217 -0.107 4.281 1.00 3.01 C ATOM 1019 CD2 LEU A 74 -5.975 0.982 5.732 1.00 0.13 C ATOM 0 H LEU A 74 -4.437 4.700 2.186 1.00 75.14 H new ATOM 0 HA LEU A 74 -6.243 2.454 2.514 1.00 43.02 H new ATOM 0 HB2 LEU A 74 -3.695 2.158 3.598 1.00 43.11 H new ATOM 0 HB3 LEU A 74 -4.577 2.894 4.922 1.00 43.11 H new ATOM 0 HG LEU A 74 -6.100 0.702 3.637 1.00 14.41 H new ATOM 0 HD11 LEU A 74 -4.635 -1.084 4.522 1.00 3.01 H new ATOM 0 HD12 LEU A 74 -3.799 -0.130 3.275 1.00 3.01 H new ATOM 0 HD13 LEU A 74 -3.431 0.138 4.995 1.00 3.01 H new ATOM 0 HD21 LEU A 74 -6.407 0.006 5.953 1.00 0.13 H new ATOM 0 HD22 LEU A 74 -5.228 1.228 6.487 1.00 0.13 H new ATOM 0 HD23 LEU A 74 -6.761 1.737 5.741 1.00 0.13 H new ATOM 1030 N SER A 75 -7.416 3.927 4.314 1.00 75.40 N ATOM 1031 CA SER A 75 -8.269 4.866 5.020 1.00 33.12 C ATOM 1032 C SER A 75 -7.562 5.509 6.218 1.00 14.13 C ATOM 1033 O SER A 75 -6.626 4.951 6.791 1.00 40.34 O ATOM 1034 CB SER A 75 -9.509 4.119 5.506 1.00 35.44 C ATOM 1035 OG SER A 75 -10.103 3.309 4.505 1.00 71.40 O ATOM 0 H SER A 75 -7.799 2.982 4.297 1.00 75.40 H new ATOM 0 HA SER A 75 -8.534 5.669 4.332 1.00 33.12 H new ATOM 0 HB2 SER A 75 -9.238 3.493 6.357 1.00 35.44 H new ATOM 0 HB3 SER A 75 -10.243 4.841 5.863 1.00 35.44 H new ATOM 0 HG SER A 75 -10.889 2.856 4.875 1.00 71.40 H new ATOM 1040 N THR A 76 -8.046 6.675 6.634 1.00 22.43 N ATOM 1041 CA THR A 76 -7.310 7.575 7.498 1.00 3.42 C ATOM 1042 C THR A 76 -7.083 6.998 8.898 1.00 44.40 C ATOM 1043 O THR A 76 -5.940 6.986 9.365 1.00 41.42 O ATOM 1044 CB THR A 76 -8.043 8.926 7.520 1.00 4.22 C ATOM 1045 OG1 THR A 76 -8.451 9.301 6.212 1.00 34.41 O ATOM 1046 CG2 THR A 76 -7.162 10.035 8.095 1.00 34.41 C ATOM 0 H THR A 76 -8.970 7.020 6.375 1.00 22.43 H new ATOM 0 HA THR A 76 -6.306 7.718 7.099 1.00 3.42 H new ATOM 0 HB THR A 76 -8.918 8.800 8.158 1.00 4.22 H new ATOM 0 HG1 THR A 76 -7.812 8.951 5.557 1.00 34.41 H new ATOM 0 HG21 THR A 76 -7.714 10.975 8.095 1.00 34.41 H new ATOM 0 HG22 THR A 76 -6.878 9.781 9.116 1.00 34.41 H new ATOM 0 HG23 THR A 76 -6.265 10.140 7.485 1.00 34.41 H new ATOM 1054 N ILE A 77 -8.132 6.528 9.575 1.00 13.05 N ATOM 1055 CA ILE A 77 -8.008 5.972 10.924 1.00 74.43 C ATOM 1056 C ILE A 77 -7.270 4.643 10.830 1.00 23.55 C ATOM 1057 O ILE A 77 -6.442 4.322 11.675 1.00 61.14 O ATOM 1058 CB ILE A 77 -9.399 5.796 11.568 1.00 51.43 C ATOM 1059 CG1 ILE A 77 -10.063 7.180 11.723 1.00 74.31 C ATOM 1060 CG2 ILE A 77 -9.277 5.087 12.933 1.00 21.11 C ATOM 1061 CD1 ILE A 77 -11.573 7.099 11.907 1.00 23.25 C ATOM 0 H ILE A 77 -9.084 6.522 9.208 1.00 13.05 H new ATOM 0 HA ILE A 77 -7.444 6.654 11.560 1.00 74.43 H new ATOM 0 HB ILE A 77 -10.021 5.172 10.926 1.00 51.43 H new ATOM 0 HG12 ILE A 77 -9.625 7.693 12.579 1.00 74.31 H new ATOM 0 HG13 ILE A 77 -9.842 7.784 10.843 1.00 74.31 H new ATOM 0 HG21 ILE A 77 -10.268 4.971 13.373 1.00 21.11 H new ATOM 0 HG22 ILE A 77 -8.825 4.105 12.794 1.00 21.11 H new ATOM 0 HG23 ILE A 77 -8.652 5.683 13.598 1.00 21.11 H new ATOM 0 HD11 ILE A 77 -11.981 8.104 12.010 1.00 23.25 H new ATOM 0 HD12 ILE A 77 -12.020 6.613 11.039 1.00 23.25 H new ATOM 0 HD13 ILE A 77 -11.800 6.521 12.803 1.00 23.25 H new ATOM 1072 N GLU A 78 -7.570 3.881 9.786 1.00 54.42 N ATOM 1073 CA GLU A 78 -7.101 2.516 9.630 1.00 15.12 C ATOM 1074 C GLU A 78 -5.593 2.519 9.401 1.00 1.25 C ATOM 1075 O GLU A 78 -4.889 1.687 9.962 1.00 20.53 O ATOM 1076 CB GLU A 78 -7.896 1.844 8.508 1.00 33.43 C ATOM 1077 CG GLU A 78 -9.365 1.719 8.961 1.00 22.32 C ATOM 1078 CD GLU A 78 -10.371 1.788 7.819 1.00 75.51 C ATOM 1079 OE1 GLU A 78 -10.464 0.840 7.008 1.00 40.43 O ATOM 1080 OE2 GLU A 78 -11.107 2.804 7.753 1.00 35.44 O ATOM 0 H GLU A 78 -8.155 4.201 9.014 1.00 54.42 H new ATOM 0 HA GLU A 78 -7.271 1.930 10.533 1.00 15.12 H new ATOM 0 HB2 GLU A 78 -7.830 2.431 7.592 1.00 33.43 H new ATOM 0 HB3 GLU A 78 -7.482 0.860 8.286 1.00 33.43 H new ATOM 0 HG2 GLU A 78 -9.493 0.774 9.488 1.00 22.32 H new ATOM 0 HG3 GLU A 78 -9.584 2.514 9.674 1.00 22.32 H new ATOM 1085 N ALA A 79 -5.078 3.523 8.689 1.00 13.45 N ATOM 1086 CA ALA A 79 -3.656 3.800 8.565 1.00 2.34 C ATOM 1087 C ALA A 79 -3.131 4.085 9.972 1.00 12.31 C ATOM 1088 O ALA A 79 -2.192 3.447 10.452 1.00 32.25 O ATOM 1089 CB ALA A 79 -3.446 4.992 7.607 1.00 13.33 C ATOM 0 H ALA A 79 -5.660 4.181 8.170 1.00 13.45 H new ATOM 0 HA ALA A 79 -3.109 2.957 8.142 1.00 2.34 H new ATOM 0 HB1 ALA A 79 -2.380 5.200 7.514 1.00 13.33 H new ATOM 0 HB2 ALA A 79 -3.855 4.747 6.627 1.00 13.33 H new ATOM 0 HB3 ALA A 79 -3.954 5.871 8.003 1.00 13.33 H new ATOM 1095 N ALA A 80 -3.785 5.029 10.655 1.00 3.12 N ATOM 1096 CA ALA A 80 -3.399 5.492 11.973 1.00 22.14 C ATOM 1097 C ALA A 80 -3.605 4.463 13.107 1.00 15.12 C ATOM 1098 O ALA A 80 -3.378 4.813 14.268 1.00 40.43 O ATOM 1099 CB ALA A 80 -4.100 6.819 12.277 1.00 60.50 C ATOM 0 H ALA A 80 -4.615 5.497 10.291 1.00 3.12 H new ATOM 0 HA ALA A 80 -2.320 5.642 11.944 1.00 22.14 H new ATOM 0 HB1 ALA A 80 -3.809 7.166 13.268 1.00 60.50 H new ATOM 0 HB2 ALA A 80 -3.811 7.562 11.533 1.00 60.50 H new ATOM 0 HB3 ALA A 80 -5.180 6.675 12.246 1.00 60.50 H new ATOM 1105 N GLN A 81 -4.013 3.219 12.814 1.00 24.25 N ATOM 1106 CA GLN A 81 -4.109 2.131 13.790 1.00 2.23 C ATOM 1107 C GLN A 81 -3.331 0.897 13.334 1.00 62.12 C ATOM 1108 O GLN A 81 -2.769 0.193 14.177 1.00 72.32 O ATOM 1109 CB GLN A 81 -5.590 1.826 14.084 1.00 40.11 C ATOM 1110 CG GLN A 81 -6.289 0.840 13.124 1.00 21.13 C ATOM 1111 CD GLN A 81 -7.798 0.727 13.384 1.00 2.33 C ATOM 1112 OE1 GLN A 81 -8.460 1.686 13.768 1.00 22.45 O ATOM 1113 NE2 GLN A 81 -8.392 -0.440 13.204 1.00 62.44 N ATOM 0 H GLN A 81 -4.290 2.939 11.873 1.00 24.25 H new ATOM 0 HA GLN A 81 -3.643 2.448 14.723 1.00 2.23 H new ATOM 0 HB2 GLN A 81 -5.663 1.428 15.096 1.00 40.11 H new ATOM 0 HB3 GLN A 81 -6.142 2.766 14.071 1.00 40.11 H new ATOM 0 HG2 GLN A 81 -6.125 1.163 12.096 1.00 21.13 H new ATOM 0 HG3 GLN A 81 -5.832 -0.145 13.226 1.00 21.13 H new ATOM 0 HE21 GLN A 81 -7.851 -1.244 12.885 1.00 62.44 H new ATOM 0 HE22 GLN A 81 -9.391 -0.537 13.384 1.00 62.44 H new ATOM 1120 N LEU A 82 -3.251 0.643 12.020 1.00 34.53 N ATOM 1121 CA LEU A 82 -2.480 -0.470 11.470 1.00 55.12 C ATOM 1122 C LEU A 82 -1.023 -0.343 11.876 1.00 74.41 C ATOM 1123 O LEU A 82 -0.397 -1.358 12.154 1.00 53.31 O ATOM 1124 CB LEU A 82 -2.616 -0.560 9.939 1.00 52.03 C ATOM 1125 CG LEU A 82 -3.783 -1.465 9.504 1.00 14.04 C ATOM 1126 CD1 LEU A 82 -4.180 -1.176 8.056 1.00 22.14 C ATOM 1127 CD2 LEU A 82 -3.418 -2.955 9.612 1.00 43.23 C ATOM 0 H LEU A 82 -3.721 1.207 11.312 1.00 34.53 H new ATOM 0 HA LEU A 82 -2.884 -1.395 11.882 1.00 55.12 H new ATOM 0 HB2 LEU A 82 -2.764 0.440 9.531 1.00 52.03 H new ATOM 0 HB3 LEU A 82 -1.687 -0.942 9.517 1.00 52.03 H new ATOM 0 HG LEU A 82 -4.614 -1.248 10.175 1.00 14.04 H new ATOM 0 HD11 LEU A 82 -5.006 -1.826 7.769 1.00 22.14 H new ATOM 0 HD12 LEU A 82 -4.489 -0.135 7.964 1.00 22.14 H new ATOM 0 HD13 LEU A 82 -3.328 -1.361 7.401 1.00 22.14 H new ATOM 0 HD21 LEU A 82 -4.267 -3.561 9.296 1.00 43.23 H new ATOM 0 HD22 LEU A 82 -2.562 -3.167 8.971 1.00 43.23 H new ATOM 0 HD23 LEU A 82 -3.166 -3.194 10.645 1.00 43.23 H new ATOM 1138 N LEU A 83 -0.491 0.878 11.995 1.00 23.45 N ATOM 1139 CA LEU A 83 0.887 1.079 12.425 1.00 0.43 C ATOM 1140 C LEU A 83 1.184 0.404 13.768 1.00 43.21 C ATOM 1141 O LEU A 83 2.302 -0.058 13.954 1.00 44.11 O ATOM 1142 CB LEU A 83 1.150 2.586 12.530 1.00 72.40 C ATOM 1143 CG LEU A 83 2.623 2.938 12.801 1.00 14.02 C ATOM 1144 CD1 LEU A 83 3.527 2.594 11.615 1.00 72.11 C ATOM 1145 CD2 LEU A 83 2.746 4.436 13.062 1.00 11.21 C ATOM 0 H LEU A 83 -0.999 1.740 11.798 1.00 23.45 H new ATOM 0 HA LEU A 83 1.545 0.620 11.687 1.00 0.43 H new ATOM 0 HB2 LEU A 83 0.835 3.066 11.604 1.00 72.40 H new ATOM 0 HB3 LEU A 83 0.534 2.999 13.329 1.00 72.40 H new ATOM 0 HG LEU A 83 2.940 2.353 13.665 1.00 14.02 H new ATOM 0 HD11 LEU A 83 4.557 2.860 11.853 1.00 72.11 H new ATOM 0 HD12 LEU A 83 3.467 1.525 11.410 1.00 72.11 H new ATOM 0 HD13 LEU A 83 3.202 3.151 10.736 1.00 72.11 H new ATOM 0 HD21 LEU A 83 3.789 4.687 13.254 1.00 11.21 H new ATOM 0 HD22 LEU A 83 2.395 4.987 12.190 1.00 11.21 H new ATOM 0 HD23 LEU A 83 2.142 4.705 13.929 1.00 11.21 H new ATOM 1156 N GLN A 84 0.218 0.332 14.690 1.00 51.01 N ATOM 1157 CA GLN A 84 0.370 -0.405 15.945 1.00 71.52 C ATOM 1158 C GLN A 84 0.333 -1.916 15.684 1.00 14.42 C ATOM 1159 O GLN A 84 1.180 -2.663 16.166 1.00 53.43 O ATOM 1160 CB GLN A 84 -0.738 -0.006 16.941 1.00 44.10 C ATOM 1161 CG GLN A 84 -0.431 1.269 17.747 1.00 0.14 C ATOM 1162 CD GLN A 84 -1.444 2.379 17.480 1.00 34.14 C ATOM 1163 OE1 GLN A 84 -2.607 2.289 17.876 1.00 64.40 O ATOM 1164 NE2 GLN A 84 -1.051 3.441 16.798 1.00 41.40 N ATOM 0 H GLN A 84 -0.691 0.784 14.585 1.00 51.01 H new ATOM 0 HA GLN A 84 1.336 -0.151 16.381 1.00 71.52 H new ATOM 0 HB2 GLN A 84 -1.669 0.139 16.393 1.00 44.10 H new ATOM 0 HB3 GLN A 84 -0.902 -0.831 17.635 1.00 44.10 H new ATOM 0 HG2 GLN A 84 -0.427 1.032 18.811 1.00 0.14 H new ATOM 0 HG3 GLN A 84 0.569 1.624 17.496 1.00 0.14 H new ATOM 0 HE21 GLN A 84 -0.087 3.510 16.473 1.00 41.40 H new ATOM 0 HE22 GLN A 84 -1.712 4.191 16.597 1.00 41.40 H new ATOM 1171 N ILE A 85 -0.646 -2.386 14.911 1.00 74.43 N ATOM 1172 CA ILE A 85 -0.834 -3.800 14.572 1.00 51.11 C ATOM 1173 C ILE A 85 0.450 -4.364 13.940 1.00 34.53 C ATOM 1174 O ILE A 85 0.860 -5.488 14.244 1.00 51.13 O ATOM 1175 CB ILE A 85 -2.067 -3.931 13.647 1.00 74.22 C ATOM 1176 CG1 ILE A 85 -3.339 -3.411 14.360 1.00 75.33 C ATOM 1177 CG2 ILE A 85 -2.268 -5.381 13.191 1.00 60.50 C ATOM 1178 CD1 ILE A 85 -4.570 -3.326 13.456 1.00 53.20 C ATOM 0 H ILE A 85 -1.350 -1.779 14.491 1.00 74.43 H new ATOM 0 HA ILE A 85 -1.025 -4.391 15.468 1.00 51.11 H new ATOM 0 HB ILE A 85 -1.886 -3.321 12.762 1.00 74.22 H new ATOM 0 HG12 ILE A 85 -3.564 -4.066 15.202 1.00 75.33 H new ATOM 0 HG13 ILE A 85 -3.134 -2.422 14.771 1.00 75.33 H new ATOM 0 HG21 ILE A 85 -3.142 -5.441 12.542 1.00 60.50 H new ATOM 0 HG22 ILE A 85 -1.387 -5.716 12.644 1.00 60.50 H new ATOM 0 HG23 ILE A 85 -2.418 -6.019 14.062 1.00 60.50 H new ATOM 0 HD11 ILE A 85 -5.418 -2.953 14.030 1.00 53.20 H new ATOM 0 HD12 ILE A 85 -4.367 -2.648 12.627 1.00 53.20 H new ATOM 0 HD13 ILE A 85 -4.804 -4.316 13.065 1.00 53.20 H new ATOM 1189 N LEU A 86 1.099 -3.581 13.076 1.00 13.34 N ATOM 1190 CA LEU A 86 2.293 -3.977 12.347 1.00 55.30 C ATOM 1191 C LEU A 86 3.506 -4.200 13.259 1.00 41.10 C ATOM 1192 O LEU A 86 4.394 -4.953 12.869 1.00 60.40 O ATOM 1193 CB LEU A 86 2.620 -2.928 11.268 1.00 44.23 C ATOM 1194 CG LEU A 86 2.053 -3.253 9.875 1.00 15.15 C ATOM 1195 CD1 LEU A 86 0.532 -3.105 9.758 1.00 71.32 C ATOM 1196 CD2 LEU A 86 2.690 -2.332 8.832 1.00 14.02 C ATOM 0 H LEU A 86 0.796 -2.631 12.863 1.00 13.34 H new ATOM 0 HA LEU A 86 2.077 -4.937 11.878 1.00 55.30 H new ATOM 0 HB2 LEU A 86 2.232 -1.961 11.589 1.00 44.23 H new ATOM 0 HB3 LEU A 86 3.703 -2.828 11.192 1.00 44.23 H new ATOM 0 HG LEU A 86 2.293 -4.303 9.705 1.00 15.15 H new ATOM 0 HD11 LEU A 86 0.219 -3.353 8.744 1.00 71.32 H new ATOM 0 HD12 LEU A 86 0.046 -3.779 10.463 1.00 71.32 H new ATOM 0 HD13 LEU A 86 0.248 -2.077 9.984 1.00 71.32 H new ATOM 0 HD21 LEU A 86 2.287 -2.564 7.846 1.00 14.02 H new ATOM 0 HD22 LEU A 86 2.468 -1.294 9.079 1.00 14.02 H new ATOM 0 HD23 LEU A 86 3.770 -2.481 8.826 1.00 14.02 H new ATOM 1207 N GLN A 87 3.564 -3.604 14.457 1.00 14.22 N ATOM 1208 CA GLN A 87 4.706 -3.710 15.379 1.00 55.22 C ATOM 1209 C GLN A 87 4.916 -5.142 15.910 1.00 74.54 C ATOM 1210 O GLN A 87 5.887 -5.393 16.634 1.00 42.12 O ATOM 1211 CB GLN A 87 4.512 -2.732 16.551 1.00 64.31 C ATOM 1212 CG GLN A 87 4.611 -1.254 16.128 1.00 11.35 C ATOM 1213 CD GLN A 87 6.039 -0.731 15.985 1.00 51.21 C ATOM 1214 OE1 GLN A 87 6.960 -1.166 16.677 1.00 23.11 O ATOM 1215 NE2 GLN A 87 6.255 0.239 15.112 1.00 55.40 N ATOM 0 H GLN A 87 2.807 -3.025 14.820 1.00 14.22 H new ATOM 0 HA GLN A 87 5.603 -3.451 14.817 1.00 55.22 H new ATOM 0 HB2 GLN A 87 3.538 -2.909 17.006 1.00 64.31 H new ATOM 0 HB3 GLN A 87 5.262 -2.936 17.315 1.00 64.31 H new ATOM 0 HG2 GLN A 87 4.094 -1.126 15.177 1.00 11.35 H new ATOM 0 HG3 GLN A 87 4.085 -0.643 16.862 1.00 11.35 H new ATOM 0 HE21 GLN A 87 5.486 0.593 14.543 1.00 55.40 H new ATOM 0 HE22 GLN A 87 7.190 0.633 15.008 1.00 55.40 H new ATOM 1222 N ALA A 88 4.020 -6.073 15.570 1.00 71.54 N ATOM 1223 CA ALA A 88 3.957 -7.435 16.076 1.00 52.43 C ATOM 1224 C ALA A 88 4.061 -8.493 14.961 1.00 0.14 C ATOM 1225 O ALA A 88 3.896 -9.680 15.262 1.00 11.44 O ATOM 1226 CB ALA A 88 2.657 -7.566 16.883 1.00 63.21 C ATOM 0 H ALA A 88 3.280 -5.879 14.896 1.00 71.54 H new ATOM 0 HA ALA A 88 4.818 -7.628 16.716 1.00 52.43 H new ATOM 0 HB1 ALA A 88 2.575 -8.578 17.279 1.00 63.21 H new ATOM 0 HB2 ALA A 88 2.667 -6.853 17.707 1.00 63.21 H new ATOM 0 HB3 ALA A 88 1.805 -7.360 16.236 1.00 63.21 H new ATOM 1232 N LEU A 89 4.302 -8.124 13.693 1.00 41.30 N ATOM 1233 CA LEU A 89 4.342 -9.079 12.576 1.00 44.40 C ATOM 1234 C LEU A 89 5.330 -8.660 11.488 1.00 72.10 C ATOM 1235 O LEU A 89 5.692 -7.489 11.393 1.00 61.10 O ATOM 1236 CB LEU A 89 2.924 -9.271 12.001 1.00 54.40 C ATOM 1237 CG LEU A 89 2.358 -8.040 11.252 1.00 54.00 C ATOM 1238 CD1 LEU A 89 2.531 -8.154 9.735 1.00 35.52 C ATOM 1239 CD2 LEU A 89 0.867 -7.854 11.553 1.00 11.32 C ATOM 0 H LEU A 89 4.474 -7.158 13.415 1.00 41.30 H new ATOM 0 HA LEU A 89 4.700 -10.033 12.964 1.00 44.40 H new ATOM 0 HB2 LEU A 89 2.935 -10.121 11.319 1.00 54.40 H new ATOM 0 HB3 LEU A 89 2.247 -9.526 12.817 1.00 54.40 H new ATOM 0 HG LEU A 89 2.926 -7.181 11.609 1.00 54.00 H new ATOM 0 HD11 LEU A 89 2.119 -7.267 9.254 1.00 35.52 H new ATOM 0 HD12 LEU A 89 3.591 -8.237 9.495 1.00 35.52 H new ATOM 0 HD13 LEU A 89 2.007 -9.039 9.374 1.00 35.52 H new ATOM 0 HD21 LEU A 89 0.493 -6.983 11.015 1.00 11.32 H new ATOM 0 HD22 LEU A 89 0.318 -8.740 11.234 1.00 11.32 H new ATOM 0 HD23 LEU A 89 0.728 -7.706 12.624 1.00 11.32 H new ATOM 1250 N HIS A 90 5.703 -9.605 10.620 1.00 24.13 N ATOM 1251 CA HIS A 90 6.515 -9.410 9.418 1.00 40.43 C ATOM 1252 C HIS A 90 6.011 -10.362 8.317 1.00 0.05 C ATOM 1253 O HIS A 90 5.357 -11.359 8.642 1.00 62.14 O ATOM 1254 CB HIS A 90 7.990 -9.689 9.750 1.00 34.14 C ATOM 1255 CG HIS A 90 8.640 -8.635 10.612 1.00 2.03 C ATOM 1256 ND1 HIS A 90 8.994 -7.356 10.234 1.00 64.52 N ATOM 1257 CD2 HIS A 90 9.004 -8.793 11.920 1.00 42.03 C ATOM 1258 CE1 HIS A 90 9.574 -6.765 11.290 1.00 71.32 C ATOM 1259 NE2 HIS A 90 9.637 -7.614 12.332 1.00 52.30 N ATOM 0 H HIS A 90 5.431 -10.580 10.745 1.00 24.13 H new ATOM 0 HA HIS A 90 6.430 -8.383 9.063 1.00 40.43 H new ATOM 0 HB2 HIS A 90 8.061 -10.651 10.257 1.00 34.14 H new ATOM 0 HB3 HIS A 90 8.550 -9.777 8.819 1.00 34.14 H new ATOM 0 HD2 HIS A 90 8.834 -9.670 12.527 1.00 42.03 H new ATOM 0 HE1 HIS A 90 9.940 -5.749 11.302 1.00 71.32 H new ATOM 0 HE2 HIS A 90 10.062 -7.434 13.242 1.00 52.30 H new ATOM 1266 N PRO A 91 6.284 -10.091 7.027 1.00 44.31 N ATOM 1267 CA PRO A 91 5.681 -10.820 5.914 1.00 24.15 C ATOM 1268 C PRO A 91 6.320 -12.188 5.640 1.00 32.22 C ATOM 1269 O PRO A 91 7.456 -12.427 6.048 1.00 71.43 O ATOM 1270 CB PRO A 91 5.903 -9.918 4.698 1.00 60.51 C ATOM 1271 CG PRO A 91 7.226 -9.247 5.025 1.00 0.21 C ATOM 1272 CD PRO A 91 7.050 -8.962 6.514 1.00 34.22 C ATOM 0 HA PRO A 91 4.636 -11.031 6.141 1.00 24.15 H new ATOM 0 HB2 PRO A 91 5.956 -10.491 3.772 1.00 60.51 H new ATOM 0 HB3 PRO A 91 5.098 -9.192 4.578 1.00 60.51 H new ATOM 0 HG2 PRO A 91 8.078 -9.898 4.828 1.00 0.21 H new ATOM 0 HG3 PRO A 91 7.380 -8.336 4.447 1.00 0.21 H new ATOM 0 HD2 PRO A 91 8.014 -8.878 7.016 1.00 34.22 H new ATOM 0 HD3 PRO A 91 6.523 -8.022 6.676 1.00 34.22 H new ATOM 1277 N PRO A 92 5.653 -13.026 4.819 1.00 53.14 N ATOM 1278 CA PRO A 92 6.201 -14.279 4.302 1.00 32.12 C ATOM 1279 C PRO A 92 7.237 -14.096 3.175 1.00 24.44 C ATOM 1280 O PRO A 92 7.674 -15.076 2.582 1.00 24.53 O ATOM 1281 CB PRO A 92 4.972 -15.060 3.813 1.00 43.42 C ATOM 1282 CG PRO A 92 4.029 -13.958 3.338 1.00 22.44 C ATOM 1283 CD PRO A 92 4.272 -12.863 4.371 1.00 53.41 C ATOM 0 HA PRO A 92 6.762 -14.800 5.078 1.00 32.12 H new ATOM 0 HB2 PRO A 92 5.226 -15.748 3.007 1.00 43.42 H new ATOM 0 HB3 PRO A 92 4.528 -15.654 4.612 1.00 43.42 H new ATOM 0 HG2 PRO A 92 4.267 -13.625 2.328 1.00 22.44 H new ATOM 0 HG3 PRO A 92 2.990 -14.287 3.329 1.00 22.44 H new ATOM 0 HD2 PRO A 92 4.118 -11.876 3.936 1.00 53.41 H new ATOM 0 HD3 PRO A 92 3.578 -12.955 5.207 1.00 53.41 H new ATOM 1288 N LEU A 93 7.600 -12.863 2.811 1.00 64.34 N ATOM 1289 CA LEU A 93 8.351 -12.539 1.599 1.00 14.42 C ATOM 1290 C LEU A 93 9.489 -11.601 1.963 1.00 60.34 C ATOM 1291 O LEU A 93 9.264 -10.399 2.150 1.00 55.24 O ATOM 1292 CB LEU A 93 7.390 -11.911 0.577 1.00 72.22 C ATOM 1293 CG LEU A 93 6.865 -12.937 -0.429 1.00 40.42 C ATOM 1294 CD1 LEU A 93 5.531 -12.458 -0.978 1.00 31.51 C ATOM 1295 CD2 LEU A 93 7.884 -13.152 -1.548 1.00 23.40 C ATOM 0 H LEU A 93 7.372 -12.040 3.369 1.00 64.34 H new ATOM 0 HA LEU A 93 8.784 -13.433 1.150 1.00 14.42 H new ATOM 0 HB2 LEU A 93 6.550 -11.457 1.102 1.00 72.22 H new ATOM 0 HB3 LEU A 93 7.902 -11.111 0.043 1.00 72.22 H new ATOM 0 HG LEU A 93 6.715 -13.897 0.066 1.00 40.42 H new ATOM 0 HD11 LEU A 93 5.151 -13.185 -1.696 1.00 31.51 H new ATOM 0 HD12 LEU A 93 4.819 -12.349 -0.160 1.00 31.51 H new ATOM 0 HD13 LEU A 93 5.665 -11.496 -1.472 1.00 31.51 H new ATOM 0 HD21 LEU A 93 7.497 -13.884 -2.257 1.00 23.40 H new ATOM 0 HD22 LEU A 93 8.063 -12.208 -2.063 1.00 23.40 H new ATOM 0 HD23 LEU A 93 8.819 -13.517 -1.123 1.00 23.40 H new ATOM 1306 N THR A 94 10.701 -12.146 2.069 1.00 51.34 N ATOM 1307 CA THR A 94 11.859 -11.459 2.620 1.00 2.40 C ATOM 1308 C THR A 94 13.104 -11.831 1.800 1.00 11.24 C ATOM 1309 O THR A 94 13.916 -12.684 2.172 1.00 60.15 O ATOM 1310 CB THR A 94 12.009 -11.845 4.093 1.00 74.31 C ATOM 1311 OG1 THR A 94 10.773 -11.910 4.783 1.00 20.35 O ATOM 1312 CG2 THR A 94 12.925 -10.888 4.836 1.00 14.31 C ATOM 0 H THR A 94 10.905 -13.098 1.766 1.00 51.34 H new ATOM 0 HA THR A 94 11.733 -10.378 2.564 1.00 2.40 H new ATOM 0 HB THR A 94 12.447 -12.843 4.077 1.00 74.31 H new ATOM 0 HG1 THR A 94 10.932 -12.162 5.717 1.00 20.35 H new ATOM 0 HG21 THR A 94 13.005 -11.197 5.878 1.00 14.31 H new ATOM 0 HG22 THR A 94 13.913 -10.900 4.377 1.00 14.31 H new ATOM 0 HG23 THR A 94 12.515 -9.879 4.787 1.00 14.31 H new ATOM 1320 N ILE A 95 13.217 -11.203 0.642 1.00 42.32 N ATOM 1321 CA ILE A 95 14.307 -11.407 -0.308 1.00 2.21 C ATOM 1322 C ILE A 95 15.574 -10.866 0.342 1.00 43.51 C ATOM 1323 O ILE A 95 15.551 -9.778 0.924 1.00 0.20 O ATOM 1324 CB ILE A 95 13.980 -10.773 -1.685 1.00 24.23 C ATOM 1325 CG1 ILE A 95 14.990 -11.135 -2.802 1.00 35.30 C ATOM 1326 CG2 ILE A 95 13.757 -9.258 -1.589 1.00 61.04 C ATOM 1327 CD1 ILE A 95 16.184 -10.190 -2.988 1.00 64.02 C ATOM 0 H ILE A 95 12.534 -10.515 0.324 1.00 42.32 H new ATOM 0 HA ILE A 95 14.454 -12.464 -0.530 1.00 2.21 H new ATOM 0 HB ILE A 95 13.036 -11.227 -1.987 1.00 24.23 H new ATOM 0 HG12 ILE A 95 15.376 -12.134 -2.600 1.00 35.30 H new ATOM 0 HG13 ILE A 95 14.448 -11.187 -3.746 1.00 35.30 H new ATOM 0 HG21 ILE A 95 13.531 -8.860 -2.578 1.00 61.04 H new ATOM 0 HG22 ILE A 95 12.923 -9.055 -0.917 1.00 61.04 H new ATOM 0 HG23 ILE A 95 14.658 -8.781 -1.203 1.00 61.04 H new ATOM 0 HD11 ILE A 95 16.814 -10.555 -3.799 1.00 64.02 H new ATOM 0 HD12 ILE A 95 15.823 -9.191 -3.230 1.00 64.02 H new ATOM 0 HD13 ILE A 95 16.765 -10.152 -2.067 1.00 64.02 H new ATOM 1338 N ASP A 96 16.656 -11.634 0.263 1.00 64.44 N ATOM 1339 CA ASP A 96 17.960 -11.341 0.871 1.00 75.45 C ATOM 1340 C ASP A 96 17.824 -10.830 2.313 1.00 20.44 C ATOM 1341 O ASP A 96 18.569 -9.956 2.765 1.00 75.25 O ATOM 1342 CB ASP A 96 18.808 -10.405 -0.016 1.00 55.41 C ATOM 1343 CG ASP A 96 19.353 -11.083 -1.269 1.00 3.20 C ATOM 1344 OD1 ASP A 96 19.751 -12.268 -1.191 1.00 20.14 O ATOM 1345 OD2 ASP A 96 19.405 -10.395 -2.317 1.00 15.33 O ATOM 0 H ASP A 96 16.653 -12.517 -0.247 1.00 64.44 H new ATOM 0 HA ASP A 96 18.504 -12.283 0.935 1.00 75.45 H new ATOM 0 HB2 ASP A 96 18.201 -9.549 -0.311 1.00 55.41 H new ATOM 0 HB3 ASP A 96 19.642 -10.019 0.570 1.00 55.41 H new ATOM 1349 N GLY A 97 16.859 -11.373 3.069 1.00 63.12 N ATOM 1350 CA GLY A 97 16.652 -10.990 4.458 1.00 54.32 C ATOM 1351 C GLY A 97 16.202 -9.535 4.628 1.00 35.42 C ATOM 1352 O GLY A 97 16.462 -8.951 5.677 1.00 31.34 O ATOM 0 H GLY A 97 16.209 -12.083 2.731 1.00 63.12 H new ATOM 0 HA2 GLY A 97 15.904 -11.648 4.901 1.00 54.32 H new ATOM 0 HA3 GLY A 97 17.579 -11.143 5.011 1.00 54.32 H new ATOM 1356 N LYS A 98 15.557 -8.915 3.629 1.00 54.12 N ATOM 1357 CA LYS A 98 15.088 -7.539 3.752 1.00 22.33 C ATOM 1358 C LYS A 98 13.827 -7.466 4.587 1.00 63.04 C ATOM 1359 O LYS A 98 12.718 -7.578 4.056 1.00 62.11 O ATOM 1360 CB LYS A 98 14.926 -6.889 2.377 1.00 13.22 C ATOM 1361 CG LYS A 98 16.266 -6.334 1.906 1.00 42.42 C ATOM 1362 CD LYS A 98 16.755 -5.224 2.841 1.00 23.24 C ATOM 1363 CE LYS A 98 17.653 -4.269 2.092 1.00 40.31 C ATOM 1364 NZ LYS A 98 19.032 -4.774 1.982 1.00 42.22 N ATOM 0 H LYS A 98 15.351 -9.350 2.730 1.00 54.12 H new ATOM 0 HA LYS A 98 15.846 -6.962 4.282 1.00 22.33 H new ATOM 0 HB2 LYS A 98 14.553 -7.621 1.660 1.00 13.22 H new ATOM 0 HB3 LYS A 98 14.188 -6.088 2.428 1.00 13.22 H new ATOM 0 HG2 LYS A 98 17.004 -7.136 1.869 1.00 42.42 H new ATOM 0 HG3 LYS A 98 16.167 -5.945 0.893 1.00 42.42 H new ATOM 0 HD2 LYS A 98 15.903 -4.685 3.254 1.00 23.24 H new ATOM 0 HD3 LYS A 98 17.295 -5.659 3.682 1.00 23.24 H new ATOM 0 HE2 LYS A 98 17.249 -4.100 1.094 1.00 40.31 H new ATOM 0 HE3 LYS A 98 17.660 -3.305 2.601 1.00 40.31 H new ATOM 0 HZ1 LYS A 98 19.613 -4.087 1.461 1.00 42.22 H new ATOM 0 HZ2 LYS A 98 19.428 -4.911 2.934 1.00 42.22 H new ATOM 0 HZ3 LYS A 98 19.030 -5.681 1.474 1.00 42.22 H new ATOM 1374 N THR A 99 14.046 -7.315 5.885 1.00 32.11 N ATOM 1375 CA THR A 99 13.033 -7.369 6.922 1.00 63.13 C ATOM 1376 C THR A 99 12.363 -6.009 7.042 1.00 71.40 C ATOM 1377 O THR A 99 13.034 -4.990 7.235 1.00 31.22 O ATOM 1378 CB THR A 99 13.653 -7.831 8.248 1.00 22.52 C ATOM 1379 OG1 THR A 99 14.895 -7.198 8.534 1.00 14.41 O ATOM 1380 CG2 THR A 99 13.858 -9.349 8.209 1.00 52.41 C ATOM 0 H THR A 99 14.980 -7.144 6.258 1.00 32.11 H new ATOM 0 HA THR A 99 12.267 -8.099 6.658 1.00 63.13 H new ATOM 0 HB THR A 99 12.959 -7.549 9.040 1.00 22.52 H new ATOM 0 HG1 THR A 99 15.241 -7.529 9.389 1.00 14.41 H new ATOM 0 HG21 THR A 99 14.298 -9.681 9.149 1.00 52.41 H new ATOM 0 HG22 THR A 99 12.897 -9.842 8.064 1.00 52.41 H new ATOM 0 HG23 THR A 99 14.525 -9.605 7.386 1.00 52.41 H new ATOM 1388 N ILE A 100 11.047 -5.995 6.858 1.00 43.02 N ATOM 1389 CA ILE A 100 10.289 -4.770 6.642 1.00 32.41 C ATOM 1390 C ILE A 100 10.191 -3.993 7.952 1.00 72.33 C ATOM 1391 O ILE A 100 9.741 -4.545 8.959 1.00 41.14 O ATOM 1392 CB ILE A 100 8.892 -5.091 6.078 1.00 41.44 C ATOM 1393 CG1 ILE A 100 8.915 -6.155 4.967 1.00 41.01 C ATOM 1394 CG2 ILE A 100 8.243 -3.815 5.531 1.00 51.34 C ATOM 1395 CD1 ILE A 100 9.859 -5.858 3.802 1.00 64.21 C ATOM 0 H ILE A 100 10.474 -6.839 6.855 1.00 43.02 H new ATOM 0 HA ILE A 100 10.805 -4.151 5.908 1.00 32.41 H new ATOM 0 HB ILE A 100 8.312 -5.497 6.907 1.00 41.44 H new ATOM 0 HG12 ILE A 100 9.197 -7.111 5.407 1.00 41.01 H new ATOM 0 HG13 ILE A 100 7.904 -6.270 4.575 1.00 41.01 H new ATOM 0 HG21 ILE A 100 7.256 -4.050 5.134 1.00 51.34 H new ATOM 0 HG22 ILE A 100 8.147 -3.083 6.333 1.00 51.34 H new ATOM 0 HG23 ILE A 100 8.865 -3.403 4.736 1.00 51.34 H new ATOM 0 HD11 ILE A 100 9.803 -6.666 3.073 1.00 64.21 H new ATOM 0 HD12 ILE A 100 9.568 -4.921 3.328 1.00 64.21 H new ATOM 0 HD13 ILE A 100 10.880 -5.775 4.173 1.00 64.21 H new ATOM 1406 N ASN A 101 10.604 -2.725 7.920 1.00 1.42 N ATOM 1407 CA ASN A 101 10.404 -1.807 9.033 1.00 73.31 C ATOM 1408 C ASN A 101 8.959 -1.328 9.040 1.00 44.53 C ATOM 1409 O ASN A 101 8.334 -1.220 7.981 1.00 22.12 O ATOM 1410 CB ASN A 101 11.290 -0.554 8.926 1.00 62.31 C ATOM 1411 CG ASN A 101 11.584 0.051 10.297 1.00 74.41 C ATOM 1412 OD1 ASN A 101 11.051 -0.355 11.323 1.00 52.31 O ATOM 1413 ND2 ASN A 101 12.439 1.050 10.365 1.00 53.11 N ATOM 0 H ASN A 101 11.085 -2.310 7.122 1.00 1.42 H new ATOM 0 HA ASN A 101 10.662 -2.353 9.940 1.00 73.31 H new ATOM 0 HB2 ASN A 101 12.228 -0.813 8.434 1.00 62.31 H new ATOM 0 HB3 ASN A 101 10.796 0.188 8.299 1.00 62.31 H new ATOM 0 HD21 ASN A 101 12.652 1.478 11.266 1.00 53.11 H new ATOM 0 HD22 ASN A 101 12.888 1.395 9.517 1.00 53.11 H new ATOM 1419 N VAL A 102 8.493 -0.920 10.212 1.00 62.21 N ATOM 1420 CA VAL A 102 7.170 -0.386 10.460 1.00 33.21 C ATOM 1421 C VAL A 102 7.312 1.135 10.587 1.00 43.32 C ATOM 1422 O VAL A 102 8.079 1.615 11.426 1.00 61.22 O ATOM 1423 CB VAL A 102 6.603 -1.082 11.714 1.00 60.43 C ATOM 1424 CG1 VAL A 102 5.207 -0.559 12.063 1.00 22.54 C ATOM 1425 CG2 VAL A 102 6.519 -2.603 11.501 1.00 63.11 C ATOM 0 H VAL A 102 9.062 -0.956 11.058 1.00 62.21 H new ATOM 0 HA VAL A 102 6.461 -0.577 9.655 1.00 33.21 H new ATOM 0 HB VAL A 102 7.283 -0.859 12.536 1.00 60.43 H new ATOM 0 HG11 VAL A 102 4.838 -1.071 12.952 1.00 22.54 H new ATOM 0 HG12 VAL A 102 5.258 0.512 12.257 1.00 22.54 H new ATOM 0 HG13 VAL A 102 4.530 -0.745 11.229 1.00 22.54 H new ATOM 0 HG21 VAL A 102 6.117 -3.074 12.398 1.00 63.11 H new ATOM 0 HG22 VAL A 102 5.866 -2.816 10.655 1.00 63.11 H new ATOM 0 HG23 VAL A 102 7.515 -2.998 11.300 1.00 63.11 H new ATOM 1435 N GLU A 103 6.635 1.891 9.719 1.00 61.32 N ATOM 1436 CA GLU A 103 6.617 3.354 9.699 1.00 62.42 C ATOM 1437 C GLU A 103 5.341 3.831 8.953 1.00 12.25 C ATOM 1438 O GLU A 103 4.570 3.015 8.440 1.00 11.43 O ATOM 1439 CB GLU A 103 7.917 3.831 9.010 1.00 33.45 C ATOM 1440 CG GLU A 103 8.327 5.279 9.306 1.00 73.14 C ATOM 1441 CD GLU A 103 8.899 5.495 10.712 1.00 33.21 C ATOM 1442 OE1 GLU A 103 8.110 5.682 11.668 1.00 42.20 O ATOM 1443 OE2 GLU A 103 10.147 5.547 10.841 1.00 13.54 O ATOM 0 H GLU A 103 6.061 1.483 8.981 1.00 61.32 H new ATOM 0 HA GLU A 103 6.583 3.777 10.703 1.00 62.42 H new ATOM 0 HB2 GLU A 103 8.731 3.172 9.312 1.00 33.45 H new ATOM 0 HB3 GLU A 103 7.799 3.718 7.932 1.00 33.45 H new ATOM 0 HG2 GLU A 103 9.069 5.592 8.572 1.00 73.14 H new ATOM 0 HG3 GLU A 103 7.458 5.925 9.176 1.00 73.14 H new ATOM 1448 N PHE A 104 5.068 5.138 8.869 1.00 43.54 N ATOM 1449 CA PHE A 104 3.982 5.722 8.091 1.00 34.04 C ATOM 1450 C PHE A 104 4.416 7.030 7.411 1.00 34.15 C ATOM 1451 O PHE A 104 5.510 7.545 7.672 1.00 24.41 O ATOM 1452 CB PHE A 104 2.720 5.893 8.944 1.00 44.10 C ATOM 1453 CG PHE A 104 2.662 6.958 10.024 1.00 40.54 C ATOM 1454 CD1 PHE A 104 3.822 7.451 10.654 1.00 21.03 C ATOM 1455 CD2 PHE A 104 1.400 7.443 10.427 1.00 34.41 C ATOM 1456 CE1 PHE A 104 3.721 8.419 11.665 1.00 33.22 C ATOM 1457 CE2 PHE A 104 1.299 8.357 11.488 1.00 22.04 C ATOM 1458 CZ PHE A 104 2.461 8.863 12.095 1.00 74.43 C ATOM 0 H PHE A 104 5.621 5.840 9.361 1.00 43.54 H new ATOM 0 HA PHE A 104 3.730 5.027 7.290 1.00 34.04 H new ATOM 0 HB2 PHE A 104 1.892 6.082 8.261 1.00 44.10 H new ATOM 0 HB3 PHE A 104 2.524 4.935 9.425 1.00 44.10 H new ATOM 0 HD1 PHE A 104 4.793 7.082 10.358 1.00 21.03 H new ATOM 0 HD2 PHE A 104 0.508 7.110 9.917 1.00 34.41 H new ATOM 0 HE1 PHE A 104 4.616 8.824 12.114 1.00 33.22 H new ATOM 0 HE2 PHE A 104 0.327 8.672 11.838 1.00 22.04 H new ATOM 0 HZ PHE A 104 2.385 9.591 12.889 1.00 74.43 H new ATOM 1467 N ALA A 105 3.563 7.552 6.523 1.00 15.54 N ATOM 1468 CA ALA A 105 3.821 8.741 5.715 1.00 53.43 C ATOM 1469 C ALA A 105 2.545 9.580 5.531 1.00 3.34 C ATOM 1470 O ALA A 105 2.381 10.253 4.508 1.00 21.25 O ATOM 1471 CB ALA A 105 4.421 8.308 4.371 1.00 32.43 C ATOM 0 H ALA A 105 2.646 7.143 6.344 1.00 15.54 H new ATOM 0 HA ALA A 105 4.537 9.382 6.230 1.00 53.43 H new ATOM 0 HB1 ALA A 105 4.618 9.189 3.760 1.00 32.43 H new ATOM 0 HB2 ALA A 105 5.354 7.771 4.545 1.00 32.43 H new ATOM 0 HB3 ALA A 105 3.719 7.656 3.852 1.00 32.43 H new ATOM 1477 N LYS A 106 1.604 9.522 6.474 1.00 12.35 N ATOM 1478 CA LYS A 106 0.365 10.267 6.385 1.00 15.44 C ATOM 1479 C LYS A 106 0.593 11.744 6.722 1.00 0.35 C ATOM 1480 O LYS A 106 1.607 12.122 7.314 1.00 21.11 O ATOM 1481 CB LYS A 106 -0.701 9.573 7.253 1.00 32.44 C ATOM 1482 CG LYS A 106 -0.587 9.704 8.784 1.00 35.03 C ATOM 1483 CD LYS A 106 -1.404 10.880 9.324 1.00 42.51 C ATOM 1484 CE LYS A 106 -1.609 10.866 10.842 1.00 42.14 C ATOM 1485 NZ LYS A 106 -0.405 11.250 11.605 1.00 71.42 N ATOM 0 H LYS A 106 1.687 8.955 7.318 1.00 12.35 H new ATOM 0 HA LYS A 106 -0.012 10.268 5.362 1.00 15.44 H new ATOM 0 HB2 LYS A 106 -1.676 9.960 6.957 1.00 32.44 H new ATOM 0 HB3 LYS A 106 -0.692 8.511 7.007 1.00 32.44 H new ATOM 0 HG2 LYS A 106 -0.928 8.781 9.253 1.00 35.03 H new ATOM 0 HG3 LYS A 106 0.460 9.834 9.059 1.00 35.03 H new ATOM 0 HD2 LYS A 106 -0.907 11.809 9.046 1.00 42.51 H new ATOM 0 HD3 LYS A 106 -2.380 10.882 8.838 1.00 42.51 H new ATOM 0 HE2 LYS A 106 -2.422 11.546 11.097 1.00 42.14 H new ATOM 0 HE3 LYS A 106 -1.920 9.867 11.149 1.00 42.14 H new ATOM 0 HZ1 LYS A 106 -0.668 11.450 12.591 1.00 71.42 H new ATOM 0 HZ2 LYS A 106 0.284 10.471 11.581 1.00 71.42 H new ATOM 0 HZ3 LYS A 106 0.018 12.100 11.181 1.00 71.42 H new