USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 440 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 24 ASN : amide:sc= -2.05! C(o=-2.3!,f=-6.8!) USER MOD Set 1.2: A 32 TYR OH : rot 24:sc= -0.2 USER MOD Single : A 18 ASN : amide:sc= -0.405 K(o=-0.4,f=-3.5!) USER MOD Single : A 21 MET CE :methyl -179:sc= -0.393 (180deg=-0.398) USER MOD Single : A 26 LYS NZ :NH3+ -138:sc= 0.0617 (180deg=-0.403) USER MOD Single : A 31 LYS NZ :NH3+ -140:sc= 0.964 (180deg=0.166) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -109:sc= -0.637 (180deg=-1.07) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.497 F(o=-1.3,f=-0.5) USER MOD Single : A 56 LYS NZ :NH3+ -135:sc= 2.03 (180deg=0.723) USER MOD Single : A 58 GLN : amide:sc= 0.448 K(o=0.45,f=-1.1) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= -1.72 F(o=-2.8,f=-1.7) USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= -0.0255 (180deg=-0.0699) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0208) USER MOD ----------------------------------------------------------------- ATOM 283 N ASN A 18 -7.534 8.926 3.332 1.00 42.22 N ATOM 284 CA ASN A 18 -6.502 7.913 3.604 1.00 43.34 C ATOM 285 C ASN A 18 -6.118 7.145 2.321 1.00 71.44 C ATOM 286 O ASN A 18 -6.953 6.458 1.729 1.00 61.20 O ATOM 287 CB ASN A 18 -6.984 6.939 4.695 1.00 51.53 C ATOM 288 CG ASN A 18 -5.947 5.890 5.063 1.00 61.23 C ATOM 289 OD1 ASN A 18 -4.745 6.134 5.025 1.00 52.11 O ATOM 290 ND2 ASN A 18 -6.405 4.708 5.420 1.00 50.45 N ATOM 0 HA ASN A 18 -5.610 8.427 3.962 1.00 43.34 H new ATOM 0 HB2 ASN A 18 -7.250 7.506 5.587 1.00 51.53 H new ATOM 0 HB3 ASN A 18 -7.890 6.440 4.352 1.00 51.53 H new ATOM 0 HD21 ASN A 18 -5.755 3.965 5.675 1.00 50.45 H new ATOM 0 HD22 ASN A 18 -7.410 4.536 5.442 1.00 50.45 H new ATOM 297 N PRO A 19 -4.840 7.235 1.884 1.00 40.43 N ATOM 298 CA PRO A 19 -4.372 6.617 0.624 1.00 54.01 C ATOM 299 C PRO A 19 -4.837 5.162 0.444 1.00 24.30 C ATOM 300 O PRO A 19 -5.097 4.722 -0.673 1.00 71.33 O ATOM 301 CB PRO A 19 -2.834 6.686 0.734 1.00 63.34 C ATOM 302 CG PRO A 19 -2.549 7.116 2.139 1.00 43.03 C ATOM 303 CD PRO A 19 -3.740 7.923 2.572 1.00 34.25 C ATOM 0 HA PRO A 19 -4.779 7.137 -0.243 1.00 54.01 H new ATOM 0 HB2 PRO A 19 -2.382 5.717 0.521 1.00 63.34 H new ATOM 0 HB3 PRO A 19 -2.421 7.395 0.016 1.00 63.34 H new ATOM 0 HG2 PRO A 19 -2.404 6.254 2.790 1.00 43.03 H new ATOM 0 HG3 PRO A 19 -1.636 7.710 2.188 1.00 43.03 H new ATOM 0 HD2 PRO A 19 -3.867 7.915 3.655 1.00 34.25 H new ATOM 0 HD3 PRO A 19 -3.658 8.967 2.269 1.00 34.25 H new ATOM 311 N VAL A 20 -4.938 4.424 1.548 1.00 1.22 N ATOM 312 CA VAL A 20 -5.421 3.034 1.513 1.00 42.05 C ATOM 313 C VAL A 20 -6.832 2.941 0.899 1.00 61.12 C ATOM 314 O VAL A 20 -7.050 2.241 -0.091 1.00 74.12 O ATOM 315 CB VAL A 20 -5.446 2.409 2.932 1.00 23.10 C ATOM 316 CG1 VAL A 20 -5.896 0.947 2.879 1.00 41.21 C ATOM 317 CG2 VAL A 20 -4.078 2.536 3.601 1.00 25.12 C ATOM 0 H VAL A 20 -4.693 4.760 2.480 1.00 1.22 H new ATOM 0 HA VAL A 20 -4.723 2.477 0.888 1.00 42.05 H new ATOM 0 HB VAL A 20 -6.170 2.959 3.533 1.00 23.10 H new ATOM 0 HG11 VAL A 20 -5.905 0.532 3.887 1.00 41.21 H new ATOM 0 HG12 VAL A 20 -6.898 0.890 2.454 1.00 41.21 H new ATOM 0 HG13 VAL A 20 -5.206 0.376 2.258 1.00 41.21 H new ATOM 0 HG21 VAL A 20 -4.117 2.092 4.596 1.00 25.12 H new ATOM 0 HG22 VAL A 20 -3.330 2.018 3.001 1.00 25.12 H new ATOM 0 HG23 VAL A 20 -3.810 3.589 3.685 1.00 25.12 H new ATOM 327 N MET A 21 -7.786 3.664 1.489 1.00 63.51 N ATOM 328 CA MET A 21 -9.171 3.646 1.004 1.00 74.33 C ATOM 329 C MET A 21 -9.286 4.320 -0.367 1.00 15.33 C ATOM 330 O MET A 21 -10.039 3.863 -1.224 1.00 13.43 O ATOM 331 CB MET A 21 -10.112 4.318 2.015 1.00 1.54 C ATOM 332 CG MET A 21 -10.193 3.592 3.354 1.00 41.43 C ATOM 333 SD MET A 21 -11.454 4.281 4.451 1.00 74.14 S ATOM 334 CE MET A 21 -10.826 5.936 4.728 1.00 22.31 C ATOM 0 H MET A 21 -7.629 4.266 2.298 1.00 63.51 H new ATOM 0 HA MET A 21 -9.471 2.604 0.894 1.00 74.33 H new ATOM 0 HB2 MET A 21 -9.776 5.341 2.186 1.00 1.54 H new ATOM 0 HB3 MET A 21 -11.111 4.378 1.583 1.00 1.54 H new ATOM 0 HG2 MET A 21 -10.408 2.538 3.178 1.00 41.43 H new ATOM 0 HG3 MET A 21 -9.223 3.641 3.848 1.00 41.43 H new ATOM 0 HE1 MET A 21 -11.495 6.471 5.402 1.00 22.31 H new ATOM 0 HE2 MET A 21 -9.832 5.878 5.173 1.00 22.31 H new ATOM 0 HE3 MET A 21 -10.768 6.467 3.778 1.00 22.31 H new ATOM 344 N GLU A 22 -8.534 5.400 -0.578 1.00 41.13 N ATOM 345 CA GLU A 22 -8.510 6.070 -1.883 1.00 65.12 C ATOM 346 C GLU A 22 -8.058 5.105 -2.991 1.00 3.23 C ATOM 347 O GLU A 22 -8.706 4.985 -4.031 1.00 64.44 O ATOM 348 CB GLU A 22 -7.582 7.293 -1.865 1.00 72.24 C ATOM 349 CG GLU A 22 -7.477 7.977 -3.225 1.00 50.54 C ATOM 350 CD GLU A 22 -6.599 9.216 -3.216 1.00 12.02 C ATOM 351 OE1 GLU A 22 -6.751 10.057 -2.306 1.00 51.12 O ATOM 352 OE2 GLU A 22 -5.758 9.350 -4.132 1.00 34.33 O ATOM 0 H GLU A 22 -7.937 5.829 0.130 1.00 41.13 H new ATOM 0 HA GLU A 22 -9.527 6.402 -2.091 1.00 65.12 H new ATOM 0 HB2 GLU A 22 -7.948 8.010 -1.130 1.00 72.24 H new ATOM 0 HB3 GLU A 22 -6.588 6.984 -1.541 1.00 72.24 H new ATOM 0 HG2 GLU A 22 -7.081 7.266 -3.950 1.00 50.54 H new ATOM 0 HG3 GLU A 22 -8.476 8.252 -3.562 1.00 50.54 H new ATOM 359 N LEU A 23 -6.943 4.421 -2.752 1.00 33.13 N ATOM 360 CA LEU A 23 -6.414 3.431 -3.697 1.00 42.10 C ATOM 361 C LEU A 23 -7.441 2.321 -3.976 1.00 3.24 C ATOM 362 O LEU A 23 -7.549 1.835 -5.104 1.00 22.31 O ATOM 363 CB LEU A 23 -5.119 2.825 -3.141 1.00 60.20 C ATOM 364 CG LEU A 23 -4.383 1.853 -4.076 1.00 41.25 C ATOM 365 CD1 LEU A 23 -3.938 2.559 -5.355 1.00 62.42 C ATOM 366 CD2 LEU A 23 -3.191 1.225 -3.359 1.00 62.40 C ATOM 0 H LEU A 23 -6.382 4.532 -1.907 1.00 33.13 H new ATOM 0 HA LEU A 23 -6.204 3.936 -4.640 1.00 42.10 H new ATOM 0 HB2 LEU A 23 -4.440 3.638 -2.885 1.00 60.20 H new ATOM 0 HB3 LEU A 23 -5.353 2.301 -2.214 1.00 60.20 H new ATOM 0 HG LEU A 23 -5.074 1.058 -4.356 1.00 41.25 H new ATOM 0 HD11 LEU A 23 -3.419 1.850 -6.000 1.00 62.42 H new ATOM 0 HD12 LEU A 23 -4.811 2.953 -5.876 1.00 62.42 H new ATOM 0 HD13 LEU A 23 -3.266 3.379 -5.103 1.00 62.42 H new ATOM 0 HD21 LEU A 23 -2.680 0.539 -4.035 1.00 62.40 H new ATOM 0 HD22 LEU A 23 -2.500 2.008 -3.047 1.00 62.40 H new ATOM 0 HD23 LEU A 23 -3.540 0.679 -2.483 1.00 62.40 H new ATOM 378 N ASN A 24 -8.202 1.939 -2.947 1.00 30.01 N ATOM 379 CA ASN A 24 -9.273 0.944 -3.102 1.00 21.34 C ATOM 380 C ASN A 24 -10.354 1.454 -4.065 1.00 13.13 C ATOM 381 O ASN A 24 -10.989 0.680 -4.780 1.00 32.42 O ATOM 382 CB ASN A 24 -9.907 0.615 -1.740 1.00 60.34 C ATOM 383 CG ASN A 24 -8.962 -0.106 -0.795 1.00 14.24 C ATOM 384 OD1 ASN A 24 -8.058 -0.820 -1.214 1.00 74.32 O ATOM 385 ND2 ASN A 24 -9.178 0.054 0.493 1.00 61.35 N ATOM 0 H ASN A 24 -8.099 2.301 -1.999 1.00 30.01 H new ATOM 0 HA ASN A 24 -8.831 0.038 -3.516 1.00 21.34 H new ATOM 0 HB2 ASN A 24 -10.243 1.540 -1.271 1.00 60.34 H new ATOM 0 HB3 ASN A 24 -10.792 -0.002 -1.898 1.00 60.34 H new ATOM 0 HD21 ASN A 24 -8.585 -0.423 1.173 1.00 61.35 H new ATOM 0 HD22 ASN A 24 -9.938 0.655 0.812 1.00 61.35 H new ATOM 392 N GLU A 25 -10.557 2.769 -4.064 1.00 22.35 N ATOM 393 CA GLU A 25 -11.519 3.417 -4.957 1.00 75.30 C ATOM 394 C GLU A 25 -10.909 3.641 -6.352 1.00 50.01 C ATOM 395 O GLU A 25 -11.610 3.620 -7.364 1.00 11.41 O ATOM 396 CB GLU A 25 -11.954 4.752 -4.343 1.00 42.01 C ATOM 397 CG GLU A 25 -12.468 4.625 -2.910 1.00 52.24 C ATOM 398 CD GLU A 25 -13.808 3.913 -2.814 1.00 63.32 C ATOM 399 OE1 GLU A 25 -14.835 4.518 -3.184 1.00 33.21 O ATOM 400 OE2 GLU A 25 -13.848 2.748 -2.360 1.00 61.42 O ATOM 0 H GLU A 25 -10.063 3.414 -3.448 1.00 22.35 H new ATOM 0 HA GLU A 25 -12.388 2.769 -5.075 1.00 75.30 H new ATOM 0 HB2 GLU A 25 -11.110 5.442 -4.358 1.00 42.01 H new ATOM 0 HB3 GLU A 25 -12.736 5.191 -4.963 1.00 42.01 H new ATOM 0 HG2 GLU A 25 -11.733 4.084 -2.314 1.00 52.24 H new ATOM 0 HG3 GLU A 25 -12.561 5.620 -2.475 1.00 52.24 H new ATOM 407 N LYS A 26 -9.593 3.855 -6.390 1.00 13.32 N ATOM 408 CA LYS A 26 -8.855 4.010 -7.648 1.00 35.41 C ATOM 409 C LYS A 26 -8.807 2.685 -8.437 1.00 41.21 C ATOM 410 O LYS A 26 -8.967 2.669 -9.660 1.00 44.22 O ATOM 411 CB LYS A 26 -7.421 4.501 -7.367 1.00 12.40 C ATOM 412 CG LYS A 26 -7.302 5.947 -6.873 1.00 41.53 C ATOM 413 CD LYS A 26 -7.853 6.956 -7.886 1.00 13.31 C ATOM 414 CE LYS A 26 -7.128 8.301 -7.814 1.00 2.14 C ATOM 415 NZ LYS A 26 -7.101 8.876 -6.441 1.00 4.24 N ATOM 0 H LYS A 26 -9.010 3.926 -5.556 1.00 13.32 H new ATOM 0 HA LYS A 26 -9.380 4.749 -8.253 1.00 35.41 H new ATOM 0 HB2 LYS A 26 -6.970 3.844 -6.624 1.00 12.40 H new ATOM 0 HB3 LYS A 26 -6.835 4.398 -8.281 1.00 12.40 H new ATOM 0 HG2 LYS A 26 -7.839 6.052 -5.930 1.00 41.53 H new ATOM 0 HG3 LYS A 26 -6.255 6.174 -6.670 1.00 41.53 H new ATOM 0 HD2 LYS A 26 -7.758 6.547 -8.892 1.00 13.31 H new ATOM 0 HD3 LYS A 26 -8.917 7.108 -7.703 1.00 13.31 H new ATOM 0 HE2 LYS A 26 -6.105 8.175 -8.169 1.00 2.14 H new ATOM 0 HE3 LYS A 26 -7.615 9.006 -8.488 1.00 2.14 H new ATOM 0 HZ1 LYS A 26 -7.290 9.898 -6.489 1.00 4.24 H new ATOM 0 HZ2 LYS A 26 -7.829 8.416 -5.858 1.00 4.24 H new ATOM 0 HZ3 LYS A 26 -6.165 8.717 -6.016 1.00 4.24 H new ATOM 429 N ARG A 27 -8.579 1.579 -7.725 1.00 72.34 N ATOM 430 CA ARG A 27 -8.513 0.241 -8.334 1.00 15.21 C ATOM 431 C ARG A 27 -9.254 -0.799 -7.477 1.00 54.04 C ATOM 432 O ARG A 27 -8.965 -0.964 -6.294 1.00 71.35 O ATOM 433 CB ARG A 27 -7.049 -0.196 -8.521 1.00 73.30 C ATOM 434 CG ARG A 27 -6.339 0.454 -9.705 1.00 42.24 C ATOM 435 CD ARG A 27 -6.916 -0.016 -11.039 1.00 40.41 C ATOM 436 NE ARG A 27 -6.184 0.526 -12.185 1.00 72.40 N ATOM 437 CZ ARG A 27 -6.550 0.367 -13.428 1.00 53.11 C ATOM 438 NH1 ARG A 27 -7.612 -0.304 -13.725 1.00 52.13 N ATOM 439 NH2 ARG A 27 -5.848 0.883 -14.378 1.00 43.12 N ATOM 0 H ARG A 27 -8.435 1.581 -6.715 1.00 72.34 H new ATOM 0 HA ARG A 27 -8.999 0.299 -9.308 1.00 15.21 H new ATOM 0 HB2 ARG A 27 -6.495 0.035 -7.611 1.00 73.30 H new ATOM 0 HB3 ARG A 27 -7.020 -1.278 -8.646 1.00 73.30 H new ATOM 0 HG2 ARG A 27 -6.428 1.538 -9.632 1.00 42.24 H new ATOM 0 HG3 ARG A 27 -5.276 0.218 -9.665 1.00 42.24 H new ATOM 0 HD2 ARG A 27 -6.893 -1.105 -11.078 1.00 40.41 H new ATOM 0 HD3 ARG A 27 -7.962 0.283 -11.105 1.00 40.41 H new ATOM 0 HE ARG A 27 -5.335 1.061 -12.001 1.00 72.40 H new ATOM 0 HH11 ARG A 27 -8.177 -0.718 -12.984 1.00 52.13 H new ATOM 0 HH12 ARG A 27 -7.886 -0.420 -14.701 1.00 52.13 H new ATOM 0 HH21 ARG A 27 -5.006 1.416 -14.159 1.00 43.12 H new ATOM 0 HH22 ARG A 27 -6.134 0.759 -15.349 1.00 43.12 H new ATOM 453 N ARG A 28 -10.201 -1.506 -8.086 1.00 34.04 N ATOM 454 CA ARG A 28 -10.961 -2.550 -7.390 1.00 52.22 C ATOM 455 C ARG A 28 -10.265 -3.914 -7.503 1.00 30.30 C ATOM 456 O ARG A 28 -9.742 -4.275 -8.561 1.00 12.34 O ATOM 457 CB ARG A 28 -12.383 -2.638 -7.962 1.00 51.23 C ATOM 458 CG ARG A 28 -13.181 -1.345 -7.827 1.00 64.02 C ATOM 459 CD ARG A 28 -13.334 -0.922 -6.369 1.00 24.34 C ATOM 460 NE ARG A 28 -14.081 0.325 -6.238 1.00 4.10 N ATOM 461 CZ ARG A 28 -14.199 0.996 -5.124 1.00 30.41 C ATOM 462 NH1 ARG A 28 -13.606 0.599 -4.044 1.00 14.12 N ATOM 463 NH2 ARG A 28 -14.898 2.082 -5.098 1.00 65.13 N ATOM 0 H ARG A 28 -10.464 -1.378 -9.063 1.00 34.04 H new ATOM 0 HA ARG A 28 -11.013 -2.282 -6.335 1.00 52.22 H new ATOM 0 HB2 ARG A 28 -12.325 -2.910 -9.016 1.00 51.23 H new ATOM 0 HB3 ARG A 28 -12.920 -3.440 -7.455 1.00 51.23 H new ATOM 0 HG2 ARG A 28 -12.684 -0.552 -8.385 1.00 64.02 H new ATOM 0 HG3 ARG A 28 -14.167 -1.479 -8.272 1.00 64.02 H new ATOM 0 HD2 ARG A 28 -13.843 -1.710 -5.814 1.00 24.34 H new ATOM 0 HD3 ARG A 28 -12.348 -0.803 -5.920 1.00 24.34 H new ATOM 0 HE ARG A 28 -14.540 0.696 -7.070 1.00 4.10 H new ATOM 0 HH11 ARG A 28 -13.038 -0.248 -4.056 1.00 14.12 H new ATOM 0 HH12 ARG A 28 -13.707 1.133 -3.181 1.00 14.12 H new ATOM 0 HH21 ARG A 28 -15.356 2.414 -5.947 1.00 65.13 H new ATOM 0 HH22 ARG A 28 -14.991 2.608 -4.229 1.00 65.13 H new ATOM 477 N GLY A 29 -10.274 -4.677 -6.408 1.00 41.35 N ATOM 478 CA GLY A 29 -9.609 -5.978 -6.387 1.00 24.44 C ATOM 479 C GLY A 29 -8.139 -5.883 -5.990 1.00 41.01 C ATOM 480 O GLY A 29 -7.263 -6.427 -6.668 1.00 61.15 O ATOM 0 H GLY A 29 -10.730 -4.419 -5.533 1.00 41.35 H new ATOM 0 HA2 GLY A 29 -10.128 -6.635 -5.689 1.00 24.44 H new ATOM 0 HA3 GLY A 29 -9.686 -6.436 -7.373 1.00 24.44 H new ATOM 484 N LEU A 30 -7.869 -5.183 -4.892 1.00 53.12 N ATOM 485 CA LEU A 30 -6.496 -5.002 -4.404 1.00 14.12 C ATOM 486 C LEU A 30 -6.072 -6.110 -3.431 1.00 54.53 C ATOM 487 O LEU A 30 -6.887 -6.922 -2.985 1.00 22.34 O ATOM 488 CB LEU A 30 -6.346 -3.639 -3.720 1.00 0.44 C ATOM 489 CG LEU A 30 -6.603 -2.422 -4.621 1.00 71.42 C ATOM 490 CD1 LEU A 30 -6.334 -1.130 -3.865 1.00 53.12 C ATOM 491 CD2 LEU A 30 -5.748 -2.492 -5.883 1.00 32.24 C ATOM 0 H LEU A 30 -8.581 -4.729 -4.319 1.00 53.12 H new ATOM 0 HA LEU A 30 -5.843 -5.053 -5.275 1.00 14.12 H new ATOM 0 HB2 LEU A 30 -7.034 -3.597 -2.875 1.00 0.44 H new ATOM 0 HB3 LEU A 30 -5.337 -3.563 -3.314 1.00 0.44 H new ATOM 0 HG LEU A 30 -7.652 -2.435 -4.919 1.00 71.42 H new ATOM 0 HD11 LEU A 30 -6.522 -0.279 -4.520 1.00 53.12 H new ATOM 0 HD12 LEU A 30 -6.992 -1.072 -2.998 1.00 53.12 H new ATOM 0 HD13 LEU A 30 -5.295 -1.111 -3.535 1.00 53.12 H new ATOM 0 HD21 LEU A 30 -5.947 -1.620 -6.506 1.00 32.24 H new ATOM 0 HD22 LEU A 30 -4.693 -2.509 -5.608 1.00 32.24 H new ATOM 0 HD23 LEU A 30 -5.992 -3.398 -6.438 1.00 32.24 H new ATOM 503 N LYS A 31 -4.786 -6.115 -3.097 1.00 22.21 N ATOM 504 CA LYS A 31 -4.195 -7.134 -2.226 1.00 32.44 C ATOM 505 C LYS A 31 -3.210 -6.511 -1.225 1.00 61.40 C ATOM 506 O LYS A 31 -2.131 -6.068 -1.608 1.00 62.05 O ATOM 507 CB LYS A 31 -3.490 -8.184 -3.097 1.00 0.55 C ATOM 508 CG LYS A 31 -2.478 -9.061 -2.362 1.00 14.12 C ATOM 509 CD LYS A 31 -1.781 -10.031 -3.315 1.00 40.43 C ATOM 510 CE LYS A 31 -0.596 -10.731 -2.659 1.00 70.11 C ATOM 511 NZ LYS A 31 -1.008 -11.600 -1.526 1.00 44.34 N ATOM 0 H LYS A 31 -4.120 -5.413 -3.421 1.00 22.21 H new ATOM 0 HA LYS A 31 -4.987 -7.608 -1.646 1.00 32.44 H new ATOM 0 HB2 LYS A 31 -4.246 -8.827 -3.547 1.00 0.55 H new ATOM 0 HB3 LYS A 31 -2.980 -7.673 -3.913 1.00 0.55 H new ATOM 0 HG2 LYS A 31 -1.734 -8.430 -1.875 1.00 14.12 H new ATOM 0 HG3 LYS A 31 -2.984 -9.622 -1.576 1.00 14.12 H new ATOM 0 HD2 LYS A 31 -2.497 -10.778 -3.659 1.00 40.43 H new ATOM 0 HD3 LYS A 31 -1.438 -9.489 -4.196 1.00 40.43 H new ATOM 0 HE2 LYS A 31 -0.075 -11.332 -3.404 1.00 70.11 H new ATOM 0 HE3 LYS A 31 0.112 -9.983 -2.301 1.00 70.11 H new ATOM 0 HZ1 LYS A 31 -0.320 -11.510 -0.751 1.00 44.34 H new ATOM 0 HZ2 LYS A 31 -1.948 -11.309 -1.190 1.00 44.34 H new ATOM 0 HZ3 LYS A 31 -1.044 -12.590 -1.843 1.00 44.34 H new ATOM 525 N TYR A 32 -3.589 -6.476 0.051 1.00 45.40 N ATOM 526 CA TYR A 32 -2.726 -5.922 1.110 1.00 13.30 C ATOM 527 C TYR A 32 -2.210 -7.034 2.043 1.00 72.43 C ATOM 528 O TYR A 32 -2.999 -7.708 2.708 1.00 15.14 O ATOM 529 CB TYR A 32 -3.490 -4.880 1.948 1.00 55.52 C ATOM 530 CG TYR A 32 -3.887 -3.616 1.204 1.00 31.21 C ATOM 531 CD1 TYR A 32 -5.009 -3.587 0.379 1.00 74.00 C ATOM 532 CD2 TYR A 32 -3.148 -2.444 1.346 1.00 3.22 C ATOM 533 CE1 TYR A 32 -5.380 -2.429 -0.281 1.00 4.43 C ATOM 534 CE2 TYR A 32 -3.517 -1.283 0.691 1.00 22.41 C ATOM 535 CZ TYR A 32 -4.632 -1.280 -0.121 1.00 62.13 C ATOM 536 OH TYR A 32 -4.996 -0.123 -0.772 1.00 41.54 O ATOM 0 H TYR A 32 -4.488 -6.824 0.384 1.00 45.40 H new ATOM 0 HA TYR A 32 -1.878 -5.444 0.620 1.00 13.30 H new ATOM 0 HB2 TYR A 32 -4.391 -5.347 2.345 1.00 55.52 H new ATOM 0 HB3 TYR A 32 -2.873 -4.601 2.802 1.00 55.52 H new ATOM 0 HD1 TYR A 32 -5.599 -4.483 0.253 1.00 74.00 H new ATOM 0 HD2 TYR A 32 -2.272 -2.442 1.978 1.00 3.22 H new ATOM 0 HE1 TYR A 32 -6.251 -2.424 -0.919 1.00 4.43 H new ATOM 0 HE2 TYR A 32 -2.934 -0.382 0.815 1.00 22.41 H new ATOM 0 HH TYR A 32 -5.952 -0.154 -0.983 1.00 41.54 H new ATOM 546 N GLU A 33 -0.891 -7.220 2.108 1.00 40.13 N ATOM 547 CA GLU A 33 -0.310 -8.216 3.019 1.00 44.20 C ATOM 548 C GLU A 33 0.866 -7.642 3.824 1.00 74.43 C ATOM 549 O GLU A 33 1.395 -6.573 3.515 1.00 35.10 O ATOM 550 CB GLU A 33 0.143 -9.473 2.259 1.00 32.54 C ATOM 551 CG GLU A 33 1.377 -9.274 1.384 1.00 51.13 C ATOM 552 CD GLU A 33 1.870 -10.580 0.775 1.00 33.05 C ATOM 553 OE1 GLU A 33 1.335 -10.997 -0.273 1.00 65.43 O ATOM 554 OE2 GLU A 33 2.782 -11.210 1.351 1.00 2.23 O ATOM 0 H GLU A 33 -0.210 -6.704 1.551 1.00 40.13 H new ATOM 0 HA GLU A 33 -1.098 -8.493 3.719 1.00 44.20 H new ATOM 0 HB2 GLU A 33 0.349 -10.264 2.980 1.00 32.54 H new ATOM 0 HB3 GLU A 33 -0.679 -9.819 1.632 1.00 32.54 H new ATOM 0 HG2 GLU A 33 1.144 -8.569 0.586 1.00 51.13 H new ATOM 0 HG3 GLU A 33 2.174 -8.830 1.980 1.00 51.13 H new ATOM 561 N LEU A 34 1.263 -8.373 4.858 1.00 15.21 N ATOM 562 CA LEU A 34 2.362 -7.970 5.741 1.00 64.14 C ATOM 563 C LEU A 34 3.704 -8.575 5.288 1.00 23.11 C ATOM 564 O LEU A 34 3.803 -9.776 5.028 1.00 22.04 O ATOM 565 CB LEU A 34 2.047 -8.413 7.179 1.00 10.33 C ATOM 566 CG LEU A 34 3.154 -8.158 8.216 1.00 43.44 C ATOM 567 CD1 LEU A 34 3.406 -6.664 8.402 1.00 2.22 C ATOM 568 CD2 LEU A 34 2.802 -8.820 9.544 1.00 20.24 C ATOM 0 H LEU A 34 0.835 -9.263 5.112 1.00 15.21 H new ATOM 0 HA LEU A 34 2.456 -6.885 5.697 1.00 64.14 H new ATOM 0 HB2 LEU A 34 1.143 -7.900 7.507 1.00 10.33 H new ATOM 0 HB3 LEU A 34 1.823 -9.480 7.170 1.00 10.33 H new ATOM 0 HG LEU A 34 4.076 -8.603 7.842 1.00 43.44 H new ATOM 0 HD11 LEU A 34 4.194 -6.517 9.141 1.00 2.22 H new ATOM 0 HD12 LEU A 34 3.713 -6.226 7.452 1.00 2.22 H new ATOM 0 HD13 LEU A 34 2.491 -6.181 8.746 1.00 2.22 H new ATOM 0 HD21 LEU A 34 3.595 -8.630 10.267 1.00 20.24 H new ATOM 0 HD22 LEU A 34 1.864 -8.409 9.918 1.00 20.24 H new ATOM 0 HD23 LEU A 34 2.694 -9.895 9.398 1.00 20.24 H new ATOM 580 N ILE A 35 4.734 -7.736 5.200 1.00 0.13 N ATOM 581 CA ILE A 35 6.081 -8.194 4.836 1.00 2.22 C ATOM 582 C ILE A 35 6.947 -8.417 6.090 1.00 73.44 C ATOM 583 O ILE A 35 7.487 -9.504 6.307 1.00 41.15 O ATOM 584 CB ILE A 35 6.783 -7.175 3.897 1.00 51.11 C ATOM 585 CG1 ILE A 35 5.929 -6.918 2.644 1.00 45.22 C ATOM 586 CG2 ILE A 35 8.178 -7.663 3.506 1.00 24.23 C ATOM 587 CD1 ILE A 35 5.655 -8.158 1.817 1.00 14.11 C ATOM 0 H ILE A 35 4.665 -6.734 5.375 1.00 0.13 H new ATOM 0 HA ILE A 35 5.969 -9.142 4.309 1.00 2.22 H new ATOM 0 HB ILE A 35 6.893 -6.236 4.439 1.00 51.11 H new ATOM 0 HG12 ILE A 35 4.978 -6.480 2.949 1.00 45.22 H new ATOM 0 HG13 ILE A 35 6.433 -6.181 2.019 1.00 45.22 H new ATOM 0 HG21 ILE A 35 8.648 -6.932 2.848 1.00 24.23 H new ATOM 0 HG22 ILE A 35 8.785 -7.787 4.403 1.00 24.23 H new ATOM 0 HG23 ILE A 35 8.097 -8.618 2.987 1.00 24.23 H new ATOM 0 HD11 ILE A 35 5.047 -7.892 0.952 1.00 14.11 H new ATOM 0 HD12 ILE A 35 6.599 -8.586 1.479 1.00 14.11 H new ATOM 0 HD13 ILE A 35 5.121 -8.890 2.424 1.00 14.11 H new ATOM 599 N SER A 36 7.062 -7.381 6.918 1.00 23.40 N ATOM 600 CA SER A 36 7.859 -7.448 8.155 1.00 53.35 C ATOM 601 C SER A 36 7.263 -6.542 9.235 1.00 22.44 C ATOM 602 O SER A 36 6.515 -5.615 8.927 1.00 24.14 O ATOM 603 CB SER A 36 9.310 -7.026 7.891 1.00 12.54 C ATOM 604 OG SER A 36 10.097 -7.128 9.069 1.00 55.24 O ATOM 0 H SER A 36 6.614 -6.479 6.759 1.00 23.40 H new ATOM 0 HA SER A 36 7.842 -8.481 8.502 1.00 53.35 H new ATOM 0 HB2 SER A 36 9.738 -7.654 7.109 1.00 12.54 H new ATOM 0 HB3 SER A 36 9.332 -6.000 7.523 1.00 12.54 H new ATOM 0 HG SER A 36 11.017 -6.855 8.872 1.00 55.24 H new ATOM 740 N PHE A 46 6.882 -1.233 10.854 1.00 52.14 N ATOM 741 CA PHE A 46 6.077 -2.156 10.038 1.00 20.42 C ATOM 742 C PHE A 46 6.317 -1.959 8.534 1.00 20.04 C ATOM 743 O PHE A 46 6.442 -0.830 8.054 1.00 53.40 O ATOM 744 CB PHE A 46 4.584 -1.975 10.353 1.00 5.52 C ATOM 745 CG PHE A 46 4.218 -2.318 11.778 1.00 73.10 C ATOM 746 CD1 PHE A 46 4.507 -1.441 12.813 1.00 40.42 C ATOM 747 CD2 PHE A 46 3.592 -3.519 12.081 1.00 54.12 C ATOM 748 CE1 PHE A 46 4.178 -1.752 14.116 1.00 54.21 C ATOM 749 CE2 PHE A 46 3.261 -3.833 13.387 1.00 60.12 C ATOM 750 CZ PHE A 46 3.555 -2.948 14.405 1.00 21.34 C ATOM 0 HA PHE A 46 6.388 -3.169 10.293 1.00 20.42 H new ATOM 0 HB2 PHE A 46 4.302 -0.941 10.154 1.00 5.52 H new ATOM 0 HB3 PHE A 46 4.001 -2.600 9.677 1.00 5.52 H new ATOM 0 HD1 PHE A 46 4.996 -0.503 12.596 1.00 40.42 H new ATOM 0 HD2 PHE A 46 3.361 -4.216 11.289 1.00 54.12 H new ATOM 0 HE1 PHE A 46 4.409 -1.058 14.911 1.00 54.21 H new ATOM 0 HE2 PHE A 46 2.773 -4.770 13.610 1.00 60.12 H new ATOM 0 HZ PHE A 46 3.298 -3.192 15.425 1.00 21.34 H new ATOM 760 N VAL A 47 6.378 -3.073 7.803 1.00 74.31 N ATOM 761 CA VAL A 47 6.537 -3.058 6.342 1.00 31.23 C ATOM 762 C VAL A 47 5.377 -3.809 5.666 1.00 5.44 C ATOM 763 O VAL A 47 5.237 -5.025 5.829 1.00 4.54 O ATOM 764 CB VAL A 47 7.872 -3.719 5.906 1.00 20.44 C ATOM 765 CG1 VAL A 47 8.095 -3.567 4.400 1.00 71.33 C ATOM 766 CG2 VAL A 47 9.051 -3.148 6.693 1.00 44.15 C ATOM 0 H VAL A 47 6.319 -4.010 8.202 1.00 74.31 H new ATOM 0 HA VAL A 47 6.539 -2.013 6.032 1.00 31.23 H new ATOM 0 HB VAL A 47 7.804 -4.784 6.129 1.00 20.44 H new ATOM 0 HG11 VAL A 47 9.037 -4.039 4.122 1.00 71.33 H new ATOM 0 HG12 VAL A 47 7.277 -4.045 3.861 1.00 71.33 H new ATOM 0 HG13 VAL A 47 8.130 -2.508 4.142 1.00 71.33 H new ATOM 0 HG21 VAL A 47 9.973 -3.629 6.367 1.00 44.15 H new ATOM 0 HG22 VAL A 47 9.120 -2.074 6.517 1.00 44.15 H new ATOM 0 HG23 VAL A 47 8.902 -3.333 7.757 1.00 44.15 H new ATOM 776 N MET A 48 4.553 -3.087 4.907 1.00 72.53 N ATOM 777 CA MET A 48 3.380 -3.679 4.242 1.00 35.11 C ATOM 778 C MET A 48 3.513 -3.614 2.710 1.00 42.41 C ATOM 779 O MET A 48 4.201 -2.745 2.174 1.00 70.13 O ATOM 780 CB MET A 48 2.104 -2.946 4.686 1.00 13.54 C ATOM 781 CG MET A 48 1.900 -2.916 6.197 1.00 21.53 C ATOM 782 SD MET A 48 1.581 -4.547 6.902 1.00 42.24 S ATOM 783 CE MET A 48 -0.036 -4.917 6.223 1.00 52.22 C ATOM 0 H MET A 48 4.672 -2.089 4.734 1.00 72.53 H new ATOM 0 HA MET A 48 3.320 -4.728 4.532 1.00 35.11 H new ATOM 0 HB2 MET A 48 2.137 -1.922 4.314 1.00 13.54 H new ATOM 0 HB3 MET A 48 1.242 -3.426 4.223 1.00 13.54 H new ATOM 0 HG2 MET A 48 2.786 -2.490 6.669 1.00 21.53 H new ATOM 0 HG3 MET A 48 1.065 -2.256 6.432 1.00 21.53 H new ATOM 0 HE1 MET A 48 -0.783 -4.871 7.016 1.00 52.22 H new ATOM 0 HE2 MET A 48 -0.282 -4.188 5.450 1.00 52.22 H new ATOM 0 HE3 MET A 48 -0.028 -5.917 5.789 1.00 52.22 H new ATOM 793 N GLU A 49 2.842 -4.533 2.013 1.00 63.00 N ATOM 794 CA GLU A 49 2.868 -4.568 0.540 1.00 32.54 C ATOM 795 C GLU A 49 1.451 -4.613 -0.049 1.00 22.41 C ATOM 796 O GLU A 49 0.543 -5.209 0.537 1.00 31.11 O ATOM 797 CB GLU A 49 3.666 -5.784 0.045 1.00 72.31 C ATOM 798 CG GLU A 49 3.752 -5.890 -1.480 1.00 61.23 C ATOM 799 CD GLU A 49 4.600 -7.061 -1.950 1.00 11.25 C ATOM 800 OE1 GLU A 49 5.829 -6.896 -2.086 1.00 4.31 O ATOM 801 OE2 GLU A 49 4.044 -8.151 -2.199 1.00 11.35 O ATOM 0 H GLU A 49 2.273 -5.264 2.439 1.00 63.00 H new ATOM 0 HA GLU A 49 3.352 -3.652 0.202 1.00 32.54 H new ATOM 0 HB2 GLU A 49 4.675 -5.735 0.454 1.00 72.31 H new ATOM 0 HB3 GLU A 49 3.207 -6.692 0.437 1.00 72.31 H new ATOM 0 HG2 GLU A 49 2.746 -5.990 -1.888 1.00 61.23 H new ATOM 0 HG3 GLU A 49 4.167 -4.965 -1.880 1.00 61.23 H new ATOM 808 N VAL A 50 1.270 -3.989 -1.214 1.00 23.02 N ATOM 809 CA VAL A 50 -0.023 -3.993 -1.902 1.00 24.44 C ATOM 810 C VAL A 50 0.120 -4.326 -3.402 1.00 53.45 C ATOM 811 O VAL A 50 0.939 -3.739 -4.110 1.00 40.22 O ATOM 812 CB VAL A 50 -0.757 -2.635 -1.737 1.00 55.34 C ATOM 813 CG1 VAL A 50 0.065 -1.480 -2.313 1.00 3.22 C ATOM 814 CG2 VAL A 50 -2.146 -2.691 -2.376 1.00 2.32 C ATOM 0 H VAL A 50 2.003 -3.474 -1.702 1.00 23.02 H new ATOM 0 HA VAL A 50 -0.618 -4.777 -1.433 1.00 24.44 H new ATOM 0 HB VAL A 50 -0.878 -2.449 -0.670 1.00 55.34 H new ATOM 0 HG11 VAL A 50 -0.479 -0.545 -2.180 1.00 3.22 H new ATOM 0 HG12 VAL A 50 1.022 -1.420 -1.794 1.00 3.22 H new ATOM 0 HG13 VAL A 50 0.239 -1.651 -3.375 1.00 3.22 H new ATOM 0 HG21 VAL A 50 -2.644 -1.730 -2.249 1.00 2.32 H new ATOM 0 HG22 VAL A 50 -2.049 -2.912 -3.439 1.00 2.32 H new ATOM 0 HG23 VAL A 50 -2.736 -3.471 -1.896 1.00 2.32 H new ATOM 824 N GLU A 51 -0.667 -5.294 -3.870 1.00 54.42 N ATOM 825 CA GLU A 51 -0.734 -5.624 -5.300 1.00 1.44 C ATOM 826 C GLU A 51 -1.841 -4.815 -5.992 1.00 52.44 C ATOM 827 O GLU A 51 -3.030 -5.117 -5.859 1.00 73.33 O ATOM 828 CB GLU A 51 -0.969 -7.133 -5.497 1.00 12.43 C ATOM 829 CG GLU A 51 -1.245 -7.538 -6.947 1.00 1.03 C ATOM 830 CD GLU A 51 -1.450 -9.039 -7.125 1.00 35.41 C ATOM 831 OE1 GLU A 51 -2.360 -9.605 -6.484 1.00 33.51 O ATOM 832 OE2 GLU A 51 -0.702 -9.658 -7.913 1.00 55.14 O ATOM 0 H GLU A 51 -1.270 -5.867 -3.280 1.00 54.42 H new ATOM 0 HA GLU A 51 0.221 -5.360 -5.755 1.00 1.44 H new ATOM 0 HB2 GLU A 51 -0.094 -7.676 -5.140 1.00 12.43 H new ATOM 0 HB3 GLU A 51 -1.811 -7.443 -4.878 1.00 12.43 H new ATOM 0 HG2 GLU A 51 -2.132 -7.013 -7.301 1.00 1.03 H new ATOM 0 HG3 GLU A 51 -0.412 -7.215 -7.572 1.00 1.03 H new ATOM 839 N VAL A 52 -1.441 -3.773 -6.713 1.00 23.31 N ATOM 840 CA VAL A 52 -2.377 -2.907 -7.432 1.00 4.13 C ATOM 841 C VAL A 52 -2.290 -3.138 -8.946 1.00 41.41 C ATOM 842 O VAL A 52 -1.243 -2.907 -9.557 1.00 25.32 O ATOM 843 CB VAL A 52 -2.091 -1.417 -7.130 1.00 12.32 C ATOM 844 CG1 VAL A 52 -3.132 -0.511 -7.789 1.00 51.23 C ATOM 845 CG2 VAL A 52 -2.035 -1.182 -5.624 1.00 62.54 C ATOM 0 H VAL A 52 -0.463 -3.503 -6.817 1.00 23.31 H new ATOM 0 HA VAL A 52 -3.381 -3.159 -7.090 1.00 4.13 H new ATOM 0 HB VAL A 52 -1.119 -1.163 -7.554 1.00 12.32 H new ATOM 0 HG11 VAL A 52 -2.906 0.530 -7.560 1.00 51.23 H new ATOM 0 HG12 VAL A 52 -3.110 -0.658 -8.869 1.00 51.23 H new ATOM 0 HG13 VAL A 52 -4.123 -0.759 -7.409 1.00 51.23 H new ATOM 0 HG21 VAL A 52 -1.833 -0.129 -5.427 1.00 62.54 H new ATOM 0 HG22 VAL A 52 -2.990 -1.458 -5.177 1.00 62.54 H new ATOM 0 HG23 VAL A 52 -1.242 -1.791 -5.190 1.00 62.54 H new ATOM 855 N ASP A 53 -3.384 -3.620 -9.541 1.00 63.12 N ATOM 856 CA ASP A 53 -3.446 -3.858 -10.990 1.00 30.31 C ATOM 857 C ASP A 53 -2.405 -4.918 -11.417 1.00 22.43 C ATOM 858 O ASP A 53 -2.038 -5.022 -12.592 1.00 0.13 O ATOM 859 CB ASP A 53 -3.235 -2.522 -11.736 1.00 0.45 C ATOM 860 CG ASP A 53 -3.618 -2.589 -13.203 1.00 42.35 C ATOM 861 OD1 ASP A 53 -4.806 -2.831 -13.501 1.00 44.33 O ATOM 862 OD2 ASP A 53 -2.737 -2.396 -14.070 1.00 70.31 O ATOM 0 H ASP A 53 -4.242 -3.854 -9.042 1.00 63.12 H new ATOM 0 HA ASP A 53 -4.428 -4.251 -11.251 1.00 30.31 H new ATOM 0 HB2 ASP A 53 -3.823 -1.744 -11.249 1.00 0.45 H new ATOM 0 HB3 ASP A 53 -2.188 -2.229 -11.653 1.00 0.45 H new ATOM 867 N GLY A 54 -1.957 -5.724 -10.448 1.00 13.12 N ATOM 868 CA GLY A 54 -0.941 -6.746 -10.706 1.00 22.32 C ATOM 869 C GLY A 54 0.447 -6.359 -10.194 1.00 54.52 C ATOM 870 O GLY A 54 1.292 -7.223 -9.948 1.00 72.42 O ATOM 0 H GLY A 54 -2.282 -5.687 -9.482 1.00 13.12 H new ATOM 0 HA2 GLY A 54 -1.247 -7.680 -10.235 1.00 22.32 H new ATOM 0 HA3 GLY A 54 -0.887 -6.932 -11.779 1.00 22.32 H new ATOM 874 N GLN A 55 0.671 -5.060 -10.020 1.00 53.53 N ATOM 875 CA GLN A 55 1.980 -4.527 -9.616 1.00 34.34 C ATOM 876 C GLN A 55 2.082 -4.382 -8.084 1.00 43.14 C ATOM 877 O GLN A 55 1.171 -3.865 -7.445 1.00 3.42 O ATOM 878 CB GLN A 55 2.193 -3.165 -10.293 1.00 51.11 C ATOM 879 CG GLN A 55 2.046 -3.210 -11.813 1.00 63.33 C ATOM 880 CD GLN A 55 2.055 -1.830 -12.450 1.00 63.02 C ATOM 881 OE1 GLN A 55 0.886 -1.234 -12.592 1.00 41.10 O flip ATOM 882 NE2 GLN A 55 3.099 -1.305 -12.819 1.00 41.42 N flip ATOM 0 H GLN A 55 -0.043 -4.344 -10.153 1.00 53.53 H new ATOM 0 HA GLN A 55 2.755 -5.226 -9.930 1.00 34.34 H new ATOM 0 HB2 GLN A 55 1.476 -2.451 -9.888 1.00 51.11 H new ATOM 0 HB3 GLN A 55 3.187 -2.795 -10.043 1.00 51.11 H new ATOM 0 HG2 GLN A 55 2.857 -3.804 -12.234 1.00 63.33 H new ATOM 0 HG3 GLN A 55 1.115 -3.716 -12.068 1.00 63.33 H new ATOM 0 HE21 GLN A 55 3.986 -1.792 -12.695 1.00 41.42 H new ATOM 0 HE22 GLN A 55 3.080 -0.381 -13.250 1.00 41.42 H new ATOM 891 N LYS A 56 3.197 -4.834 -7.501 1.00 1.23 N ATOM 892 CA LYS A 56 3.377 -4.800 -6.036 1.00 63.32 C ATOM 893 C LYS A 56 4.150 -3.551 -5.573 1.00 61.40 C ATOM 894 O LYS A 56 5.190 -3.205 -6.133 1.00 71.51 O ATOM 895 CB LYS A 56 4.109 -6.063 -5.543 1.00 55.14 C ATOM 896 CG LYS A 56 3.292 -7.352 -5.633 1.00 52.14 C ATOM 897 CD LYS A 56 2.991 -7.752 -7.077 1.00 4.41 C ATOM 898 CE LYS A 56 2.314 -9.111 -7.160 1.00 34.21 C ATOM 899 NZ LYS A 56 1.998 -9.493 -8.565 1.00 53.04 N ATOM 0 H LYS A 56 3.987 -5.227 -8.013 1.00 1.23 H new ATOM 0 HA LYS A 56 2.378 -4.763 -5.602 1.00 63.32 H new ATOM 0 HB2 LYS A 56 5.023 -6.187 -6.124 1.00 55.14 H new ATOM 0 HB3 LYS A 56 4.409 -5.911 -4.506 1.00 55.14 H new ATOM 0 HG2 LYS A 56 3.836 -8.159 -5.141 1.00 52.14 H new ATOM 0 HG3 LYS A 56 2.355 -7.223 -5.092 1.00 52.14 H new ATOM 0 HD2 LYS A 56 2.351 -6.999 -7.536 1.00 4.41 H new ATOM 0 HD3 LYS A 56 3.919 -7.773 -7.649 1.00 4.41 H new ATOM 0 HE2 LYS A 56 2.962 -9.867 -6.716 1.00 34.21 H new ATOM 0 HE3 LYS A 56 1.395 -9.095 -6.574 1.00 34.21 H new ATOM 0 HZ1 LYS A 56 1.031 -9.873 -8.612 1.00 53.04 H new ATOM 0 HZ2 LYS A 56 2.071 -8.656 -9.177 1.00 53.04 H new ATOM 0 HZ3 LYS A 56 2.671 -10.217 -8.887 1.00 53.04 H new ATOM 913 N PHE A 57 3.634 -2.889 -4.540 1.00 70.54 N ATOM 914 CA PHE A 57 4.285 -1.710 -3.950 1.00 51.41 C ATOM 915 C PHE A 57 4.387 -1.847 -2.421 1.00 23.20 C ATOM 916 O PHE A 57 3.413 -2.206 -1.761 1.00 10.21 O ATOM 917 CB PHE A 57 3.494 -0.440 -4.304 1.00 44.55 C ATOM 918 CG PHE A 57 3.382 -0.184 -5.791 1.00 73.32 C ATOM 919 CD1 PHE A 57 4.394 0.482 -6.473 1.00 71.31 C ATOM 920 CD2 PHE A 57 2.267 -0.606 -6.507 1.00 63.25 C ATOM 921 CE1 PHE A 57 4.296 0.720 -7.831 1.00 11.33 C ATOM 922 CE2 PHE A 57 2.167 -0.369 -7.866 1.00 22.33 C ATOM 923 CZ PHE A 57 3.181 0.294 -8.528 1.00 61.14 C ATOM 0 H PHE A 57 2.758 -3.149 -4.087 1.00 70.54 H new ATOM 0 HA PHE A 57 5.292 -1.637 -4.360 1.00 51.41 H new ATOM 0 HB2 PHE A 57 2.492 -0.518 -3.882 1.00 44.55 H new ATOM 0 HB3 PHE A 57 3.973 0.418 -3.832 1.00 44.55 H new ATOM 0 HD1 PHE A 57 5.268 0.818 -5.935 1.00 71.31 H new ATOM 0 HD2 PHE A 57 1.470 -1.125 -5.996 1.00 63.25 H new ATOM 0 HE1 PHE A 57 5.090 1.239 -8.347 1.00 11.33 H new ATOM 0 HE2 PHE A 57 1.295 -0.703 -8.409 1.00 22.33 H new ATOM 0 HZ PHE A 57 3.103 0.480 -9.589 1.00 61.14 H new ATOM 933 N GLN A 58 5.566 -1.570 -1.860 1.00 75.24 N ATOM 934 CA GLN A 58 5.770 -1.672 -0.404 1.00 60.12 C ATOM 935 C GLN A 58 5.942 -0.300 0.262 1.00 43.20 C ATOM 936 O GLN A 58 6.416 0.658 -0.354 1.00 63.24 O ATOM 937 CB GLN A 58 6.989 -2.552 -0.079 1.00 12.11 C ATOM 938 CG GLN A 58 6.763 -4.038 -0.329 1.00 5.40 C ATOM 939 CD GLN A 58 7.916 -4.905 0.145 1.00 31.10 C ATOM 940 OE1 GLN A 58 8.630 -4.558 1.078 1.00 54.55 O ATOM 941 NE2 GLN A 58 8.088 -6.054 -0.471 1.00 22.12 N ATOM 0 H GLN A 58 6.391 -1.275 -2.382 1.00 75.24 H new ATOM 0 HA GLN A 58 4.868 -2.132 -0.001 1.00 60.12 H new ATOM 0 HB2 GLN A 58 7.836 -2.218 -0.678 1.00 12.11 H new ATOM 0 HB3 GLN A 58 7.261 -2.407 0.966 1.00 12.11 H new ATOM 0 HG2 GLN A 58 5.850 -4.350 0.177 1.00 5.40 H new ATOM 0 HG3 GLN A 58 6.608 -4.201 -1.396 1.00 5.40 H new ATOM 0 HE21 GLN A 58 7.477 -6.314 -1.245 1.00 22.12 H new ATOM 0 HE22 GLN A 58 8.833 -6.685 -0.175 1.00 22.12 H new ATOM 950 N GLY A 59 5.558 -0.229 1.535 1.00 71.04 N ATOM 951 CA GLY A 59 5.722 0.987 2.322 1.00 61.20 C ATOM 952 C GLY A 59 5.970 0.686 3.798 1.00 65.25 C ATOM 953 O GLY A 59 5.407 -0.266 4.346 1.00 60.15 O ATOM 0 H GLY A 59 5.130 -1.003 2.043 1.00 71.04 H new ATOM 0 HA2 GLY A 59 6.556 1.565 1.925 1.00 61.20 H new ATOM 0 HA3 GLY A 59 4.830 1.605 2.223 1.00 61.20 H new ATOM 957 N ALA A 60 6.811 1.488 4.446 1.00 61.14 N ATOM 958 CA ALA A 60 7.151 1.275 5.858 1.00 71.10 C ATOM 959 C ALA A 60 6.688 2.444 6.740 1.00 4.21 C ATOM 960 O ALA A 60 6.690 3.602 6.310 1.00 73.32 O ATOM 961 CB ALA A 60 8.654 1.058 6.011 1.00 25.43 C ATOM 0 H ALA A 60 7.272 2.292 4.020 1.00 61.14 H new ATOM 0 HA ALA A 60 6.623 0.382 6.194 1.00 71.10 H new ATOM 0 HB1 ALA A 60 8.894 0.901 7.063 1.00 25.43 H new ATOM 0 HB2 ALA A 60 8.956 0.183 5.436 1.00 25.43 H new ATOM 0 HB3 ALA A 60 9.187 1.935 5.644 1.00 25.43 H new ATOM 967 N GLY A 61 6.296 2.135 7.975 1.00 24.51 N ATOM 968 CA GLY A 61 5.832 3.165 8.901 1.00 23.44 C ATOM 969 C GLY A 61 5.861 2.723 10.363 1.00 21.11 C ATOM 970 O GLY A 61 6.131 1.559 10.664 1.00 14.13 O ATOM 0 H GLY A 61 6.290 1.188 8.355 1.00 24.51 H new ATOM 0 HA2 GLY A 61 6.453 4.054 8.785 1.00 23.44 H new ATOM 0 HA3 GLY A 61 4.814 3.450 8.635 1.00 23.44 H new ATOM 974 N SER A 62 5.565 3.658 11.272 1.00 63.25 N ATOM 975 CA SER A 62 5.579 3.391 12.725 1.00 65.33 C ATOM 976 C SER A 62 4.437 2.455 13.161 1.00 43.43 C ATOM 977 O SER A 62 4.379 2.024 14.316 1.00 13.41 O ATOM 978 CB SER A 62 5.480 4.714 13.499 1.00 32.13 C ATOM 979 OG SER A 62 6.510 5.617 13.119 1.00 14.11 O ATOM 0 H SER A 62 5.310 4.616 11.030 1.00 63.25 H new ATOM 0 HA SER A 62 6.520 2.890 12.952 1.00 65.33 H new ATOM 0 HB2 SER A 62 4.508 5.172 13.317 1.00 32.13 H new ATOM 0 HB3 SER A 62 5.544 4.517 14.569 1.00 32.13 H new ATOM 0 HG SER A 62 6.419 6.450 13.628 1.00 14.11 H new ATOM 985 N ASN A 63 3.524 2.158 12.236 1.00 25.23 N ATOM 986 CA ASN A 63 2.384 1.270 12.503 1.00 0.22 C ATOM 987 C ASN A 63 1.741 0.803 11.186 1.00 52.00 C ATOM 988 O ASN A 63 1.943 1.420 10.140 1.00 51.53 O ATOM 989 CB ASN A 63 1.356 1.977 13.398 1.00 62.14 C ATOM 990 CG ASN A 63 0.888 3.296 12.816 1.00 13.22 C ATOM 991 OD1 ASN A 63 -0.256 3.292 12.164 1.00 3.22 O flip ATOM 992 ND2 ASN A 63 1.539 4.322 12.975 1.00 73.13 N flip ATOM 0 H ASN A 63 3.550 2.522 11.284 1.00 25.23 H new ATOM 0 HA ASN A 63 2.746 0.387 13.031 1.00 0.22 H new ATOM 0 HB2 ASN A 63 0.496 1.323 13.545 1.00 62.14 H new ATOM 0 HB3 ASN A 63 1.794 2.152 14.380 1.00 62.14 H new ATOM 0 HD21 ASN A 63 2.422 4.292 13.485 1.00 73.13 H new ATOM 0 HD22 ASN A 63 1.198 5.206 12.597 1.00 73.13 H new ATOM 999 N LYS A 64 0.958 -0.276 11.246 1.00 34.02 N ATOM 1000 CA LYS A 64 0.378 -0.890 10.036 1.00 3.43 C ATOM 1001 C LYS A 64 -0.411 0.120 9.184 1.00 11.44 C ATOM 1002 O LYS A 64 -0.293 0.134 7.961 1.00 62.04 O ATOM 1003 CB LYS A 64 -0.525 -2.072 10.413 1.00 14.41 C ATOM 1004 CG LYS A 64 0.221 -3.239 11.055 1.00 45.02 C ATOM 1005 CD LYS A 64 -0.722 -4.382 11.419 1.00 45.13 C ATOM 1006 CE LYS A 64 0.021 -5.540 12.081 1.00 52.43 C ATOM 1007 NZ LYS A 64 0.964 -6.214 11.145 1.00 31.22 N ATOM 0 H LYS A 64 0.707 -0.747 12.115 1.00 34.02 H new ATOM 0 HA LYS A 64 1.213 -1.246 9.432 1.00 3.43 H new ATOM 0 HB2 LYS A 64 -1.295 -1.723 11.101 1.00 14.41 H new ATOM 0 HB3 LYS A 64 -1.035 -2.428 9.517 1.00 14.41 H new ATOM 0 HG2 LYS A 64 0.986 -3.603 10.369 1.00 45.02 H new ATOM 0 HG3 LYS A 64 0.736 -2.893 11.951 1.00 45.02 H new ATOM 0 HD2 LYS A 64 -1.496 -4.014 12.092 1.00 45.13 H new ATOM 0 HD3 LYS A 64 -1.225 -4.739 10.520 1.00 45.13 H new ATOM 0 HE2 LYS A 64 0.573 -5.169 12.945 1.00 52.43 H new ATOM 0 HE3 LYS A 64 -0.701 -6.267 12.453 1.00 52.43 H new ATOM 0 HZ1 LYS A 64 1.356 -7.063 11.599 1.00 31.22 H new ATOM 0 HZ2 LYS A 64 0.457 -6.487 10.279 1.00 31.22 H new ATOM 0 HZ3 LYS A 64 1.737 -5.562 10.902 1.00 31.22 H new ATOM 1021 N LYS A 65 -1.213 0.959 9.836 1.00 73.12 N ATOM 1022 CA LYS A 65 -2.012 1.975 9.131 1.00 74.22 C ATOM 1023 C LYS A 65 -1.123 2.927 8.303 1.00 62.41 C ATOM 1024 O LYS A 65 -1.449 3.265 7.162 1.00 61.22 O ATOM 1025 CB LYS A 65 -2.852 2.779 10.137 1.00 65.03 C ATOM 1026 CG LYS A 65 -3.766 1.922 11.014 1.00 12.15 C ATOM 1027 CD LYS A 65 -4.863 1.216 10.212 1.00 14.03 C ATOM 1028 CE LYS A 65 -5.858 2.202 9.604 1.00 51.21 C ATOM 1029 NZ LYS A 65 -7.032 1.512 9.001 1.00 65.42 N ATOM 0 H LYS A 65 -1.331 0.960 10.849 1.00 73.12 H new ATOM 0 HA LYS A 65 -2.675 1.454 8.440 1.00 74.22 H new ATOM 0 HB2 LYS A 65 -2.182 3.350 10.779 1.00 65.03 H new ATOM 0 HB3 LYS A 65 -3.461 3.499 9.591 1.00 65.03 H new ATOM 0 HG2 LYS A 65 -3.167 1.176 11.536 1.00 12.15 H new ATOM 0 HG3 LYS A 65 -4.226 2.551 11.776 1.00 12.15 H new ATOM 0 HD2 LYS A 65 -4.407 0.626 9.417 1.00 14.03 H new ATOM 0 HD3 LYS A 65 -5.394 0.520 10.861 1.00 14.03 H new ATOM 0 HE2 LYS A 65 -6.200 2.893 10.375 1.00 51.21 H new ATOM 0 HE3 LYS A 65 -5.357 2.798 8.841 1.00 51.21 H new ATOM 0 HZ1 LYS A 65 -7.682 2.218 8.600 1.00 65.42 H new ATOM 0 HZ2 LYS A 65 -6.709 0.872 8.248 1.00 65.42 H new ATOM 0 HZ3 LYS A 65 -7.526 0.963 9.733 1.00 65.42 H new ATOM 1043 N VAL A 66 0.003 3.353 8.883 1.00 22.14 N ATOM 1044 CA VAL A 66 0.949 4.235 8.185 1.00 62.30 C ATOM 1045 C VAL A 66 1.725 3.476 7.096 1.00 60.33 C ATOM 1046 O VAL A 66 1.904 3.979 5.987 1.00 72.14 O ATOM 1047 CB VAL A 66 1.953 4.891 9.170 1.00 3.11 C ATOM 1048 CG1 VAL A 66 2.982 5.744 8.423 1.00 40.13 C ATOM 1049 CG2 VAL A 66 1.215 5.731 10.210 1.00 71.43 C ATOM 0 H VAL A 66 0.283 3.103 9.831 1.00 22.14 H new ATOM 0 HA VAL A 66 0.355 5.019 7.716 1.00 62.30 H new ATOM 0 HB VAL A 66 2.487 4.093 9.685 1.00 3.11 H new ATOM 0 HG11 VAL A 66 3.672 6.191 9.138 1.00 40.13 H new ATOM 0 HG12 VAL A 66 3.538 5.117 7.726 1.00 40.13 H new ATOM 0 HG13 VAL A 66 2.470 6.533 7.872 1.00 40.13 H new ATOM 0 HG21 VAL A 66 1.936 6.183 10.891 1.00 71.43 H new ATOM 0 HG22 VAL A 66 0.649 6.516 9.709 1.00 71.43 H new ATOM 0 HG23 VAL A 66 0.532 5.095 10.774 1.00 71.43 H new ATOM 1059 N ALA A 67 2.171 2.265 7.417 1.00 52.42 N ATOM 1060 CA ALA A 67 2.899 1.426 6.458 1.00 34.12 C ATOM 1061 C ALA A 67 2.051 1.135 5.209 1.00 12.41 C ATOM 1062 O ALA A 67 2.511 1.305 4.078 1.00 42.22 O ATOM 1063 CB ALA A 67 3.338 0.128 7.129 1.00 74.14 C ATOM 0 H ALA A 67 2.043 1.838 8.335 1.00 52.42 H new ATOM 0 HA ALA A 67 3.784 1.971 6.131 1.00 34.12 H new ATOM 0 HB1 ALA A 67 3.878 -0.489 6.410 1.00 74.14 H new ATOM 0 HB2 ALA A 67 3.990 0.357 7.972 1.00 74.14 H new ATOM 0 HB3 ALA A 67 2.461 -0.413 7.485 1.00 74.14 H new ATOM 1069 N LYS A 68 0.803 0.710 5.423 1.00 43.33 N ATOM 1070 CA LYS A 68 -0.144 0.485 4.323 1.00 30.22 C ATOM 1071 C LYS A 68 -0.428 1.789 3.567 1.00 72.41 C ATOM 1072 O LYS A 68 -0.618 1.783 2.352 1.00 4.22 O ATOM 1073 CB LYS A 68 -1.462 -0.110 4.853 1.00 53.43 C ATOM 1074 CG LYS A 68 -1.314 -1.514 5.431 1.00 33.01 C ATOM 1075 CD LYS A 68 -2.618 -2.037 6.030 1.00 41.20 C ATOM 1076 CE LYS A 68 -3.712 -2.184 4.980 1.00 54.52 C ATOM 1077 NZ LYS A 68 -4.935 -2.812 5.542 1.00 41.31 N ATOM 0 H LYS A 68 0.423 0.514 6.349 1.00 43.33 H new ATOM 0 HA LYS A 68 0.312 -0.225 3.633 1.00 30.22 H new ATOM 0 HB2 LYS A 68 -1.864 0.549 5.622 1.00 53.43 H new ATOM 0 HB3 LYS A 68 -2.190 -0.136 4.042 1.00 53.43 H new ATOM 0 HG2 LYS A 68 -0.979 -2.193 4.647 1.00 33.01 H new ATOM 0 HG3 LYS A 68 -0.541 -1.508 6.199 1.00 33.01 H new ATOM 0 HD2 LYS A 68 -2.438 -3.002 6.503 1.00 41.20 H new ATOM 0 HD3 LYS A 68 -2.956 -1.357 6.812 1.00 41.20 H new ATOM 0 HE2 LYS A 68 -3.961 -1.203 4.574 1.00 54.52 H new ATOM 0 HE3 LYS A 68 -3.342 -2.787 4.151 1.00 54.52 H new ATOM 0 HZ1 LYS A 68 -5.656 -2.895 4.797 1.00 41.31 H new ATOM 0 HZ2 LYS A 68 -4.703 -3.758 5.906 1.00 41.31 H new ATOM 0 HZ3 LYS A 68 -5.303 -2.223 6.316 1.00 41.31 H new ATOM 1091 N ALA A 69 -0.459 2.906 4.297 1.00 20.24 N ATOM 1092 CA ALA A 69 -0.651 4.222 3.681 1.00 73.13 C ATOM 1093 C ALA A 69 0.479 4.556 2.692 1.00 61.32 C ATOM 1094 O ALA A 69 0.224 5.013 1.576 1.00 21.55 O ATOM 1095 CB ALA A 69 -0.763 5.300 4.754 1.00 42.14 C ATOM 0 H ALA A 69 -0.354 2.927 5.311 1.00 20.24 H new ATOM 0 HA ALA A 69 -1.582 4.191 3.116 1.00 73.13 H new ATOM 0 HB1 ALA A 69 -0.905 6.271 4.280 1.00 42.14 H new ATOM 0 HB2 ALA A 69 -1.614 5.083 5.400 1.00 42.14 H new ATOM 0 HB3 ALA A 69 0.150 5.317 5.349 1.00 42.14 H new ATOM 1101 N TYR A 70 1.729 4.326 3.104 1.00 40.23 N ATOM 1102 CA TYR A 70 2.883 4.540 2.219 1.00 34.02 C ATOM 1103 C TYR A 70 2.909 3.526 1.065 1.00 72.23 C ATOM 1104 O TYR A 70 3.275 3.870 -0.060 1.00 63.53 O ATOM 1105 CB TYR A 70 4.198 4.490 3.012 1.00 3.12 C ATOM 1106 CG TYR A 70 4.569 5.817 3.646 1.00 52.51 C ATOM 1107 CD1 TYR A 70 5.131 6.834 2.879 1.00 73.34 C ATOM 1108 CD2 TYR A 70 4.347 6.066 4.996 1.00 73.13 C ATOM 1109 CE1 TYR A 70 5.465 8.051 3.436 1.00 33.11 C ATOM 1110 CE2 TYR A 70 4.678 7.284 5.561 1.00 51.53 C ATOM 1111 CZ TYR A 70 5.234 8.273 4.774 1.00 71.40 C ATOM 1112 OH TYR A 70 5.565 9.489 5.332 1.00 44.23 O ATOM 0 H TYR A 70 1.969 3.994 4.038 1.00 40.23 H new ATOM 0 HA TYR A 70 2.779 5.534 1.784 1.00 34.02 H new ATOM 0 HB2 TYR A 70 4.115 3.733 3.792 1.00 3.12 H new ATOM 0 HB3 TYR A 70 5.003 4.175 2.348 1.00 3.12 H new ATOM 0 HD1 TYR A 70 5.309 6.667 1.827 1.00 73.34 H new ATOM 0 HD2 TYR A 70 3.909 5.296 5.613 1.00 73.13 H new ATOM 0 HE1 TYR A 70 5.905 8.825 2.825 1.00 33.11 H new ATOM 0 HE2 TYR A 70 4.503 7.461 6.612 1.00 51.53 H new ATOM 0 HH TYR A 70 5.337 9.484 6.285 1.00 44.23 H new ATOM 1122 N ALA A 71 2.519 2.283 1.347 1.00 25.43 N ATOM 1123 CA ALA A 71 2.389 1.262 0.299 1.00 52.25 C ATOM 1124 C ALA A 71 1.372 1.704 -0.765 1.00 75.53 C ATOM 1125 O ALA A 71 1.609 1.574 -1.969 1.00 72.41 O ATOM 1126 CB ALA A 71 1.980 -0.077 0.909 1.00 22.20 C ATOM 0 H ALA A 71 2.288 1.957 2.285 1.00 25.43 H new ATOM 0 HA ALA A 71 3.358 1.140 -0.185 1.00 52.25 H new ATOM 0 HB1 ALA A 71 1.888 -0.823 0.120 1.00 22.20 H new ATOM 0 HB2 ALA A 71 2.737 -0.397 1.625 1.00 22.20 H new ATOM 0 HB3 ALA A 71 1.023 0.033 1.418 1.00 22.20 H new ATOM 1132 N ALA A 72 0.243 2.238 -0.301 1.00 25.34 N ATOM 1133 CA ALA A 72 -0.795 2.764 -1.190 1.00 44.00 C ATOM 1134 C ALA A 72 -0.299 3.991 -1.971 1.00 24.12 C ATOM 1135 O ALA A 72 -0.546 4.118 -3.174 1.00 15.45 O ATOM 1136 CB ALA A 72 -2.041 3.111 -0.385 1.00 3.22 C ATOM 0 H ALA A 72 0.022 2.318 0.692 1.00 25.34 H new ATOM 0 HA ALA A 72 -1.043 1.991 -1.917 1.00 44.00 H new ATOM 0 HB1 ALA A 72 -2.809 3.502 -1.053 1.00 3.22 H new ATOM 0 HB2 ALA A 72 -2.414 2.216 0.112 1.00 3.22 H new ATOM 0 HB3 ALA A 72 -1.793 3.864 0.363 1.00 3.22 H new ATOM 1142 N LEU A 73 0.402 4.894 -1.284 1.00 4.24 N ATOM 1143 CA LEU A 73 0.988 6.076 -1.929 1.00 61.33 C ATOM 1144 C LEU A 73 1.979 5.680 -3.032 1.00 60.42 C ATOM 1145 O LEU A 73 2.001 6.288 -4.099 1.00 51.22 O ATOM 1146 CB LEU A 73 1.679 6.978 -0.895 1.00 74.02 C ATOM 1147 CG LEU A 73 0.743 7.874 -0.069 1.00 31.24 C ATOM 1148 CD1 LEU A 73 1.546 8.706 0.926 1.00 12.33 C ATOM 1149 CD2 LEU A 73 -0.082 8.778 -0.985 1.00 5.21 C ATOM 0 H LEU A 73 0.579 4.832 -0.281 1.00 4.24 H new ATOM 0 HA LEU A 73 0.172 6.633 -2.390 1.00 61.33 H new ATOM 0 HB2 LEU A 73 2.247 6.348 -0.211 1.00 74.02 H new ATOM 0 HB3 LEU A 73 2.397 7.613 -1.414 1.00 74.02 H new ATOM 0 HG LEU A 73 0.057 7.237 0.489 1.00 31.24 H new ATOM 0 HD11 LEU A 73 0.869 9.336 1.504 1.00 12.33 H new ATOM 0 HD12 LEU A 73 2.089 8.043 1.600 1.00 12.33 H new ATOM 0 HD13 LEU A 73 2.254 9.335 0.386 1.00 12.33 H new ATOM 0 HD21 LEU A 73 -0.739 9.405 -0.382 1.00 5.21 H new ATOM 0 HD22 LEU A 73 0.586 9.410 -1.570 1.00 5.21 H new ATOM 0 HD23 LEU A 73 -0.682 8.165 -1.657 1.00 5.21 H new ATOM 1161 N ALA A 74 2.792 4.657 -2.772 1.00 24.54 N ATOM 1162 CA ALA A 74 3.728 4.142 -3.776 1.00 73.35 C ATOM 1163 C ALA A 74 2.993 3.752 -5.070 1.00 24.24 C ATOM 1164 O ALA A 74 3.502 3.949 -6.176 1.00 13.33 O ATOM 1165 CB ALA A 74 4.499 2.951 -3.215 1.00 43.42 C ATOM 0 H ALA A 74 2.823 4.168 -1.877 1.00 24.54 H new ATOM 0 HA ALA A 74 4.436 4.934 -4.021 1.00 73.35 H new ATOM 0 HB1 ALA A 74 5.191 2.577 -3.970 1.00 43.42 H new ATOM 0 HB2 ALA A 74 5.058 3.262 -2.333 1.00 43.42 H new ATOM 0 HB3 ALA A 74 3.800 2.161 -2.941 1.00 43.42 H new ATOM 1171 N ALA A 75 1.783 3.218 -4.917 1.00 21.34 N ATOM 1172 CA ALA A 75 0.935 2.867 -6.058 1.00 2.13 C ATOM 1173 C ALA A 75 0.337 4.119 -6.720 1.00 4.13 C ATOM 1174 O ALA A 75 0.363 4.256 -7.943 1.00 65.34 O ATOM 1175 CB ALA A 75 -0.174 1.919 -5.618 1.00 51.33 C ATOM 0 H ALA A 75 1.364 3.017 -4.009 1.00 21.34 H new ATOM 0 HA ALA A 75 1.559 2.366 -6.798 1.00 2.13 H new ATOM 0 HB1 ALA A 75 -0.798 1.666 -6.475 1.00 51.33 H new ATOM 0 HB2 ALA A 75 0.266 1.010 -5.208 1.00 51.33 H new ATOM 0 HB3 ALA A 75 -0.785 2.402 -4.856 1.00 51.33 H new ATOM 1181 N LEU A 76 -0.203 5.029 -5.906 1.00 40.21 N ATOM 1182 CA LEU A 76 -0.789 6.282 -6.411 1.00 35.24 C ATOM 1183 C LEU A 76 0.247 7.123 -7.182 1.00 2.34 C ATOM 1184 O LEU A 76 0.036 7.463 -8.344 1.00 45.34 O ATOM 1185 CB LEU A 76 -1.371 7.101 -5.248 1.00 73.04 C ATOM 1186 CG LEU A 76 -2.552 6.453 -4.503 1.00 13.12 C ATOM 1187 CD1 LEU A 76 -2.944 7.287 -3.286 1.00 64.53 C ATOM 1188 CD2 LEU A 76 -3.746 6.273 -5.438 1.00 70.35 C ATOM 0 H LEU A 76 -0.249 4.925 -4.892 1.00 40.21 H new ATOM 0 HA LEU A 76 -1.588 6.019 -7.104 1.00 35.24 H new ATOM 0 HB2 LEU A 76 -0.574 7.295 -4.530 1.00 73.04 H new ATOM 0 HB3 LEU A 76 -1.695 8.068 -5.634 1.00 73.04 H new ATOM 0 HG LEU A 76 -2.237 5.469 -4.157 1.00 13.12 H new ATOM 0 HD11 LEU A 76 -3.780 6.812 -2.773 1.00 64.53 H new ATOM 0 HD12 LEU A 76 -2.095 7.359 -2.606 1.00 64.53 H new ATOM 0 HD13 LEU A 76 -3.237 8.286 -3.609 1.00 64.53 H new ATOM 0 HD21 LEU A 76 -4.570 5.814 -4.892 1.00 70.35 H new ATOM 0 HD22 LEU A 76 -4.060 7.245 -5.818 1.00 70.35 H new ATOM 0 HD23 LEU A 76 -3.461 5.632 -6.272 1.00 70.35 H new ATOM 1200 N GLU A 77 1.367 7.437 -6.533 1.00 1.01 N ATOM 1201 CA GLU A 77 2.465 8.193 -7.160 1.00 21.11 C ATOM 1202 C GLU A 77 2.836 7.639 -8.549 1.00 1.24 C ATOM 1203 O GLU A 77 3.116 8.394 -9.481 1.00 25.42 O ATOM 1204 CB GLU A 77 3.707 8.141 -6.254 1.00 1.54 C ATOM 1205 CG GLU A 77 3.579 8.917 -4.946 1.00 21.31 C ATOM 1206 CD GLU A 77 3.805 10.411 -5.121 1.00 63.43 C ATOM 1207 OE1 GLU A 77 4.975 10.819 -5.295 1.00 22.43 O ATOM 1208 OE2 GLU A 77 2.831 11.188 -5.057 1.00 74.54 O ATOM 0 H GLU A 77 1.545 7.179 -5.562 1.00 1.01 H new ATOM 0 HA GLU A 77 2.122 9.220 -7.288 1.00 21.11 H new ATOM 0 HB2 GLU A 77 3.926 7.099 -6.022 1.00 1.54 H new ATOM 0 HB3 GLU A 77 4.561 8.530 -6.809 1.00 1.54 H new ATOM 0 HG2 GLU A 77 2.587 8.751 -4.526 1.00 21.31 H new ATOM 0 HG3 GLU A 77 4.299 8.527 -4.226 1.00 21.31 H new ATOM 1215 N LYS A 78 2.837 6.314 -8.668 1.00 12.20 N ATOM 1216 CA LYS A 78 3.259 5.640 -9.901 1.00 20.03 C ATOM 1217 C LYS A 78 2.104 5.541 -10.922 1.00 11.12 C ATOM 1218 O LYS A 78 2.313 5.691 -12.127 1.00 12.32 O ATOM 1219 CB LYS A 78 3.809 4.242 -9.542 1.00 1.42 C ATOM 1220 CG LYS A 78 4.584 3.526 -10.658 1.00 41.35 C ATOM 1221 CD LYS A 78 3.669 2.808 -11.648 1.00 31.23 C ATOM 1222 CE LYS A 78 4.461 1.992 -12.667 1.00 31.14 C ATOM 1223 NZ LYS A 78 5.314 2.848 -13.537 1.00 53.22 N ATOM 0 H LYS A 78 2.549 5.679 -7.923 1.00 12.20 H new ATOM 0 HA LYS A 78 4.043 6.229 -10.377 1.00 20.03 H new ATOM 0 HB2 LYS A 78 4.463 4.340 -8.676 1.00 1.42 H new ATOM 0 HB3 LYS A 78 2.974 3.609 -9.241 1.00 1.42 H new ATOM 0 HG2 LYS A 78 5.193 4.253 -11.195 1.00 41.35 H new ATOM 0 HG3 LYS A 78 5.268 2.804 -10.213 1.00 41.35 H new ATOM 0 HD2 LYS A 78 2.991 2.150 -11.104 1.00 31.23 H new ATOM 0 HD3 LYS A 78 3.053 3.540 -12.170 1.00 31.23 H new ATOM 0 HE2 LYS A 78 5.089 1.271 -12.143 1.00 31.14 H new ATOM 0 HE3 LYS A 78 3.770 1.421 -13.288 1.00 31.14 H new ATOM 0 HZ1 LYS A 78 5.793 2.255 -14.245 1.00 53.22 H new ATOM 0 HZ2 LYS A 78 4.721 3.553 -14.020 1.00 53.22 H new ATOM 0 HZ3 LYS A 78 6.025 3.335 -12.955 1.00 53.22 H new ATOM 1237 N LEU A 79 0.889 5.297 -10.435 1.00 2.52 N ATOM 1238 CA LEU A 79 -0.272 5.082 -11.311 1.00 63.30 C ATOM 1239 C LEU A 79 -1.155 6.335 -11.441 1.00 52.04 C ATOM 1240 O LEU A 79 -1.459 6.776 -12.554 1.00 2.34 O ATOM 1241 CB LEU A 79 -1.117 3.908 -10.792 1.00 30.21 C ATOM 1242 CG LEU A 79 -0.400 2.550 -10.746 1.00 24.22 C ATOM 1243 CD1 LEU A 79 -1.323 1.470 -10.184 1.00 44.03 C ATOM 1244 CD2 LEU A 79 0.110 2.158 -12.132 1.00 61.14 C ATOM 0 H LEU A 79 0.678 5.242 -9.439 1.00 2.52 H new ATOM 0 HA LEU A 79 0.118 4.852 -12.302 1.00 63.30 H new ATOM 0 HB2 LEU A 79 -1.466 4.150 -9.788 1.00 30.21 H new ATOM 0 HB3 LEU A 79 -2.001 3.812 -11.422 1.00 30.21 H new ATOM 0 HG LEU A 79 0.460 2.643 -10.082 1.00 24.22 H new ATOM 0 HD11 LEU A 79 -0.795 0.517 -10.160 1.00 44.03 H new ATOM 0 HD12 LEU A 79 -1.627 1.741 -9.173 1.00 44.03 H new ATOM 0 HD13 LEU A 79 -2.206 1.380 -10.817 1.00 44.03 H new ATOM 0 HD21 LEU A 79 0.614 1.193 -12.075 1.00 61.14 H new ATOM 0 HD22 LEU A 79 -0.730 2.088 -12.823 1.00 61.14 H new ATOM 0 HD23 LEU A 79 0.811 2.913 -12.489 1.00 61.14 H new ATOM 1256 N PHE A 80 -1.565 6.909 -10.308 1.00 1.44 N ATOM 1257 CA PHE A 80 -2.500 8.053 -10.299 1.00 4.40 C ATOM 1258 C PHE A 80 -1.911 9.282 -9.569 1.00 53.54 C ATOM 1259 O PHE A 80 -2.430 9.692 -8.528 1.00 25.22 O ATOM 1260 CB PHE A 80 -3.815 7.654 -9.606 1.00 22.43 C ATOM 1261 CG PHE A 80 -4.357 6.305 -10.002 1.00 12.25 C ATOM 1262 CD1 PHE A 80 -5.093 6.143 -11.167 1.00 61.22 C ATOM 1263 CD2 PHE A 80 -4.139 5.194 -9.195 1.00 33.11 C ATOM 1264 CE1 PHE A 80 -5.597 4.902 -11.520 1.00 23.24 C ATOM 1265 CE2 PHE A 80 -4.638 3.955 -9.543 1.00 12.14 C ATOM 1266 CZ PHE A 80 -5.369 3.809 -10.707 1.00 44.40 C ATOM 0 H PHE A 80 -1.268 6.605 -9.381 1.00 1.44 H new ATOM 0 HA PHE A 80 -2.681 8.324 -11.339 1.00 4.40 H new ATOM 0 HB2 PHE A 80 -3.658 7.664 -8.527 1.00 22.43 H new ATOM 0 HB3 PHE A 80 -4.568 8.411 -9.825 1.00 22.43 H new ATOM 0 HD1 PHE A 80 -5.275 6.994 -11.806 1.00 61.22 H new ATOM 0 HD2 PHE A 80 -3.571 5.302 -8.283 1.00 33.11 H new ATOM 0 HE1 PHE A 80 -6.168 4.789 -12.430 1.00 23.24 H new ATOM 0 HE2 PHE A 80 -4.458 3.101 -8.907 1.00 12.14 H new ATOM 0 HZ PHE A 80 -5.762 2.841 -10.981 1.00 44.40 H new