USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 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= -0.0578 K(o=0.41,f=-0.93) USER MOD Set 1.2: A 32 TYR OH : rot 27:sc= 0.471 USER MOD Single : A 18 ASN : amide:sc= -0.201 K(o=-0.2,f=-4.9!) USER MOD Single : A 21 MET CE :methyl -174:sc= -0.606 (180deg=-0.699) USER MOD Single : A 26 LYS NZ :NH3+ -109:sc= 1.01 (180deg=-0.416) USER MOD Single : A 31 LYS NZ :NH3+ -125:sc= 0.188 (180deg=-1.03) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -171:sc= -0.382 (180deg=-0.618) USER MOD Single : A 55 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.27) USER MOD Single : A 56 LYS NZ :NH3+ -155:sc= 1.26 (180deg=1.2) USER MOD Single : A 58 GLN : amide:sc= 0.94 K(o=0.94,f=-0.52) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.7 K(o=-1.7,f=-8.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00056) 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+ -172:sc=-0.00634 (180deg=-0.0899) USER MOD ----------------------------------------------------------------- ATOM 283 N ASN A 18 -7.408 9.764 2.415 1.00 55.23 N ATOM 284 CA ASN A 18 -6.432 8.732 2.834 1.00 75.03 C ATOM 285 C ASN A 18 -5.974 7.836 1.661 1.00 34.54 C ATOM 286 O ASN A 18 -6.796 7.325 0.902 1.00 53.12 O ATOM 287 CB ASN A 18 -7.015 7.868 3.968 1.00 30.14 C ATOM 288 CG ASN A 18 -6.090 6.737 4.386 1.00 3.55 C ATOM 289 OD1 ASN A 18 -6.148 5.639 3.845 1.00 5.54 O ATOM 290 ND2 ASN A 18 -5.223 6.997 5.343 1.00 43.22 N ATOM 0 HA ASN A 18 -5.550 9.260 3.198 1.00 75.03 H new ATOM 0 HB2 ASN A 18 -7.220 8.501 4.831 1.00 30.14 H new ATOM 0 HB3 ASN A 18 -7.969 7.450 3.646 1.00 30.14 H new ATOM 0 HD21 ASN A 18 -4.574 6.274 5.654 1.00 43.22 H new ATOM 0 HD22 ASN A 18 -5.200 7.922 5.773 1.00 43.22 H new ATOM 297 N PRO A 19 -4.644 7.610 1.517 1.00 34.35 N ATOM 298 CA PRO A 19 -4.086 6.803 0.411 1.00 40.21 C ATOM 299 C PRO A 19 -4.713 5.403 0.279 1.00 13.54 C ATOM 300 O PRO A 19 -5.023 4.964 -0.826 1.00 75.13 O ATOM 301 CB PRO A 19 -2.585 6.690 0.752 1.00 72.12 C ATOM 302 CG PRO A 19 -2.460 7.139 2.172 1.00 42.25 C ATOM 303 CD PRO A 19 -3.575 8.122 2.396 1.00 25.43 C ATOM 0 HA PRO A 19 -4.290 7.278 -0.549 1.00 40.21 H new ATOM 0 HB2 PRO A 19 -2.232 5.666 0.632 1.00 72.12 H new ATOM 0 HB3 PRO A 19 -1.985 7.313 0.090 1.00 72.12 H new ATOM 0 HG2 PRO A 19 -2.541 6.295 2.857 1.00 42.25 H new ATOM 0 HG3 PRO A 19 -1.490 7.602 2.351 1.00 42.25 H new ATOM 0 HD2 PRO A 19 -3.888 8.148 3.440 1.00 25.43 H new ATOM 0 HD3 PRO A 19 -3.280 9.136 2.126 1.00 25.43 H new ATOM 311 N VAL A 20 -4.900 4.703 1.403 1.00 45.54 N ATOM 312 CA VAL A 20 -5.434 3.332 1.377 1.00 63.53 C ATOM 313 C VAL A 20 -6.861 3.300 0.814 1.00 21.35 C ATOM 314 O VAL A 20 -7.130 2.657 -0.199 1.00 33.11 O ATOM 315 CB VAL A 20 -5.444 2.692 2.792 1.00 30.01 C ATOM 316 CG1 VAL A 20 -5.908 1.235 2.733 1.00 33.45 C ATOM 317 CG2 VAL A 20 -4.072 2.797 3.449 1.00 44.20 C ATOM 0 H VAL A 20 -4.692 5.057 2.337 1.00 45.54 H new ATOM 0 HA VAL A 20 -4.773 2.757 0.729 1.00 63.53 H new ATOM 0 HB VAL A 20 -6.155 3.248 3.404 1.00 30.01 H new ATOM 0 HG11 VAL A 20 -5.905 0.811 3.737 1.00 33.45 H new ATOM 0 HG12 VAL A 20 -6.917 1.191 2.323 1.00 33.45 H new ATOM 0 HG13 VAL A 20 -5.232 0.664 2.097 1.00 33.45 H new ATOM 0 HG21 VAL A 20 -4.107 2.341 4.439 1.00 44.20 H new ATOM 0 HG22 VAL A 20 -3.335 2.278 2.836 1.00 44.20 H new ATOM 0 HG23 VAL A 20 -3.793 3.846 3.542 1.00 44.20 H new ATOM 327 N MET A 21 -7.766 4.026 1.467 1.00 55.20 N ATOM 328 CA MET A 21 -9.177 4.040 1.068 1.00 0.11 C ATOM 329 C MET A 21 -9.371 4.695 -0.309 1.00 20.13 C ATOM 330 O MET A 21 -10.331 4.385 -1.014 1.00 60.12 O ATOM 331 CB MET A 21 -10.023 4.752 2.134 1.00 0.53 C ATOM 332 CG MET A 21 -10.000 4.053 3.489 1.00 73.12 C ATOM 333 SD MET A 21 -11.020 4.876 4.729 1.00 23.12 S ATOM 334 CE MET A 21 -10.200 6.466 4.866 1.00 30.24 C ATOM 0 H MET A 21 -7.551 4.612 2.274 1.00 55.20 H new ATOM 0 HA MET A 21 -9.512 3.006 0.985 1.00 0.11 H new ATOM 0 HB2 MET A 21 -9.660 5.773 2.254 1.00 0.53 H new ATOM 0 HB3 MET A 21 -11.053 4.819 1.785 1.00 0.53 H new ATOM 0 HG2 MET A 21 -10.345 3.026 3.367 1.00 73.12 H new ATOM 0 HG3 MET A 21 -8.972 4.003 3.848 1.00 73.12 H new ATOM 0 HE1 MET A 21 -10.655 7.042 5.672 1.00 30.24 H new ATOM 0 HE2 MET A 21 -9.143 6.313 5.081 1.00 30.24 H new ATOM 0 HE3 MET A 21 -10.304 7.011 3.928 1.00 30.24 H new ATOM 344 N GLU A 22 -8.465 5.599 -0.692 1.00 74.44 N ATOM 345 CA GLU A 22 -8.488 6.174 -2.040 1.00 55.23 C ATOM 346 C GLU A 22 -8.070 5.130 -3.084 1.00 32.10 C ATOM 347 O GLU A 22 -8.802 4.858 -4.033 1.00 52.42 O ATOM 348 CB GLU A 22 -7.559 7.390 -2.156 1.00 1.51 C ATOM 349 CG GLU A 22 -7.546 7.984 -3.566 1.00 14.40 C ATOM 350 CD GLU A 22 -6.535 9.103 -3.767 1.00 63.11 C ATOM 351 OE1 GLU A 22 -6.130 9.744 -2.777 1.00 33.01 O ATOM 352 OE2 GLU A 22 -6.158 9.352 -4.935 1.00 43.23 O ATOM 0 H GLU A 22 -7.714 5.946 -0.095 1.00 74.44 H new ATOM 0 HA GLU A 22 -9.512 6.495 -2.228 1.00 55.23 H new ATOM 0 HB2 GLU A 22 -7.875 8.154 -1.446 1.00 1.51 H new ATOM 0 HB3 GLU A 22 -6.546 7.097 -1.879 1.00 1.51 H new ATOM 0 HG2 GLU A 22 -7.336 7.188 -4.280 1.00 14.40 H new ATOM 0 HG3 GLU A 22 -8.541 8.364 -3.796 1.00 14.40 H new ATOM 359 N LEU A 23 -6.881 4.554 -2.897 1.00 3.51 N ATOM 360 CA LEU A 23 -6.343 3.544 -3.816 1.00 72.24 C ATOM 361 C LEU A 23 -7.325 2.375 -4.001 1.00 2.23 C ATOM 362 O LEU A 23 -7.464 1.838 -5.100 1.00 13.20 O ATOM 363 CB LEU A 23 -4.991 3.027 -3.301 1.00 45.11 C ATOM 364 CG LEU A 23 -4.251 2.065 -4.245 1.00 15.52 C ATOM 365 CD1 LEU A 23 -3.864 2.763 -5.545 1.00 72.31 C ATOM 366 CD2 LEU A 23 -3.021 1.478 -3.556 1.00 15.12 C ATOM 0 H LEU A 23 -6.267 4.771 -2.112 1.00 3.51 H new ATOM 0 HA LEU A 23 -6.198 4.016 -4.788 1.00 72.24 H new ATOM 0 HB2 LEU A 23 -4.346 3.883 -3.102 1.00 45.11 H new ATOM 0 HB3 LEU A 23 -5.153 2.522 -2.349 1.00 45.11 H new ATOM 0 HG LEU A 23 -4.927 1.247 -4.494 1.00 15.52 H new ATOM 0 HD11 LEU A 23 -3.342 2.060 -6.194 1.00 72.31 H new ATOM 0 HD12 LEU A 23 -4.763 3.122 -6.047 1.00 72.31 H new ATOM 0 HD13 LEU A 23 -3.210 3.607 -5.324 1.00 72.31 H new ATOM 0 HD21 LEU A 23 -2.510 0.800 -4.239 1.00 15.12 H new ATOM 0 HD22 LEU A 23 -2.344 2.284 -3.271 1.00 15.12 H new ATOM 0 HD23 LEU A 23 -3.329 0.931 -2.665 1.00 15.12 H new ATOM 378 N ASN A 24 -8.018 2.004 -2.922 1.00 52.34 N ATOM 379 CA ASN A 24 -9.049 0.957 -2.975 1.00 62.01 C ATOM 380 C ASN A 24 -10.181 1.307 -3.966 1.00 44.40 C ATOM 381 O ASN A 24 -10.886 0.425 -4.458 1.00 44.31 O ATOM 382 CB ASN A 24 -9.641 0.724 -1.577 1.00 62.12 C ATOM 383 CG ASN A 24 -8.626 0.177 -0.588 1.00 33.53 C ATOM 384 OD1 ASN A 24 -7.639 -0.441 -0.965 1.00 24.11 O ATOM 385 ND2 ASN A 24 -8.877 0.375 0.689 1.00 21.11 N ATOM 0 H ASN A 24 -7.886 2.413 -1.997 1.00 52.34 H new ATOM 0 HA ASN A 24 -8.566 0.046 -3.328 1.00 62.01 H new ATOM 0 HB2 ASN A 24 -10.041 1.664 -1.196 1.00 62.12 H new ATOM 0 HB3 ASN A 24 -10.477 0.029 -1.653 1.00 62.12 H new ATOM 0 HD21 ASN A 24 -8.240 0.009 1.397 1.00 21.11 H new ATOM 0 HD22 ASN A 24 -9.708 0.894 0.971 1.00 21.11 H new ATOM 392 N GLU A 25 -10.365 2.597 -4.233 1.00 11.00 N ATOM 393 CA GLU A 25 -11.358 3.057 -5.213 1.00 20.35 C ATOM 394 C GLU A 25 -10.703 3.350 -6.572 1.00 74.42 C ATOM 395 O GLU A 25 -11.330 3.206 -7.622 1.00 52.52 O ATOM 396 CB GLU A 25 -12.065 4.313 -4.696 1.00 32.11 C ATOM 397 CG GLU A 25 -12.765 4.110 -3.360 1.00 4.30 C ATOM 398 CD GLU A 25 -13.555 5.333 -2.927 1.00 12.13 C ATOM 399 OE1 GLU A 25 -12.950 6.289 -2.407 1.00 13.40 O ATOM 400 OE2 GLU A 25 -14.792 5.342 -3.109 1.00 13.42 O ATOM 0 H GLU A 25 -9.840 3.348 -3.785 1.00 11.00 H new ATOM 0 HA GLU A 25 -12.089 2.260 -5.350 1.00 20.35 H new ATOM 0 HB2 GLU A 25 -11.335 5.116 -4.596 1.00 32.11 H new ATOM 0 HB3 GLU A 25 -12.797 4.638 -5.435 1.00 32.11 H new ATOM 0 HG2 GLU A 25 -13.436 3.254 -3.431 1.00 4.30 H new ATOM 0 HG3 GLU A 25 -12.024 3.871 -2.597 1.00 4.30 H new ATOM 407 N LYS A 26 -9.439 3.772 -6.541 1.00 62.14 N ATOM 408 CA LYS A 26 -8.668 4.027 -7.768 1.00 30.40 C ATOM 409 C LYS A 26 -8.346 2.706 -8.488 1.00 34.01 C ATOM 410 O LYS A 26 -8.130 2.675 -9.699 1.00 54.40 O ATOM 411 CB LYS A 26 -7.377 4.796 -7.430 1.00 13.52 C ATOM 412 CG LYS A 26 -7.621 6.087 -6.648 1.00 60.10 C ATOM 413 CD LYS A 26 -8.406 7.124 -7.456 1.00 15.04 C ATOM 414 CE LYS A 26 -7.496 7.970 -8.342 1.00 51.44 C ATOM 415 NZ LYS A 26 -6.705 8.949 -7.544 1.00 44.44 N ATOM 0 H LYS A 26 -8.922 3.946 -5.679 1.00 62.14 H new ATOM 0 HA LYS A 26 -9.269 4.639 -8.440 1.00 30.40 H new ATOM 0 HB2 LYS A 26 -6.719 4.148 -6.850 1.00 13.52 H new ATOM 0 HB3 LYS A 26 -6.853 5.035 -8.356 1.00 13.52 H new ATOM 0 HG2 LYS A 26 -8.166 5.856 -5.733 1.00 60.10 H new ATOM 0 HG3 LYS A 26 -6.663 6.513 -6.349 1.00 60.10 H new ATOM 0 HD2 LYS A 26 -9.145 6.616 -8.076 1.00 15.04 H new ATOM 0 HD3 LYS A 26 -8.954 7.774 -6.775 1.00 15.04 H new ATOM 0 HE2 LYS A 26 -6.818 7.319 -8.895 1.00 51.44 H new ATOM 0 HE3 LYS A 26 -8.098 8.503 -9.078 1.00 51.44 H new ATOM 0 HZ1 LYS A 26 -7.060 9.910 -7.723 1.00 44.44 H new ATOM 0 HZ2 LYS A 26 -6.798 8.728 -6.532 1.00 44.44 H new ATOM 0 HZ3 LYS A 26 -5.704 8.893 -7.820 1.00 44.44 H new ATOM 429 N ARG A 27 -8.310 1.623 -7.715 1.00 32.31 N ATOM 430 CA ARG A 27 -8.181 0.260 -8.246 1.00 50.21 C ATOM 431 C ARG A 27 -9.045 -0.705 -7.423 1.00 43.31 C ATOM 432 O ARG A 27 -8.841 -0.867 -6.221 1.00 12.32 O ATOM 433 CB ARG A 27 -6.715 -0.196 -8.242 1.00 41.11 C ATOM 434 CG ARG A 27 -5.871 0.440 -9.342 1.00 53.54 C ATOM 435 CD ARG A 27 -6.354 0.030 -10.730 1.00 51.20 C ATOM 436 NE ARG A 27 -5.604 0.690 -11.797 1.00 1.32 N ATOM 437 CZ ARG A 27 -5.684 0.360 -13.059 1.00 41.11 C ATOM 438 NH1 ARG A 27 -6.445 -0.616 -13.439 1.00 54.33 N ATOM 439 NH2 ARG A 27 -5.002 1.011 -13.941 1.00 2.25 N ATOM 0 H ARG A 27 -8.369 1.662 -6.697 1.00 32.31 H new ATOM 0 HA ARG A 27 -8.530 0.257 -9.279 1.00 50.21 H new ATOM 0 HB2 ARG A 27 -6.273 0.041 -7.274 1.00 41.11 H new ATOM 0 HB3 ARG A 27 -6.681 -1.280 -8.351 1.00 41.11 H new ATOM 0 HG2 ARG A 27 -5.909 1.525 -9.249 1.00 53.54 H new ATOM 0 HG3 ARG A 27 -4.829 0.146 -9.217 1.00 53.54 H new ATOM 0 HD2 ARG A 27 -6.262 -1.051 -10.839 1.00 51.20 H new ATOM 0 HD3 ARG A 27 -7.412 0.272 -10.830 1.00 51.20 H new ATOM 0 HE ARG A 27 -4.980 1.455 -11.541 1.00 1.32 H new ATOM 0 HH11 ARG A 27 -6.990 -1.136 -12.751 1.00 54.33 H new ATOM 0 HH12 ARG A 27 -6.500 -0.865 -14.427 1.00 54.33 H new ATOM 0 HH21 ARG A 27 -4.401 1.783 -13.653 1.00 2.25 H new ATOM 0 HH22 ARG A 27 -5.064 0.753 -14.926 1.00 2.25 H new ATOM 453 N ARG A 28 -10.006 -1.349 -8.078 1.00 73.15 N ATOM 454 CA ARG A 28 -11.022 -2.146 -7.377 1.00 75.44 C ATOM 455 C ARG A 28 -10.502 -3.530 -6.940 1.00 61.14 C ATOM 456 O ARG A 28 -9.962 -4.289 -7.748 1.00 11.21 O ATOM 457 CB ARG A 28 -12.255 -2.317 -8.276 1.00 20.05 C ATOM 458 CG ARG A 28 -12.770 -1.007 -8.874 1.00 1.14 C ATOM 459 CD ARG A 28 -13.189 -0.003 -7.801 1.00 15.14 C ATOM 460 NE ARG A 28 -14.282 -0.510 -6.975 1.00 21.42 N ATOM 461 CZ ARG A 28 -15.394 0.132 -6.747 1.00 64.15 C ATOM 462 NH1 ARG A 28 -15.593 1.315 -7.240 1.00 73.34 N ATOM 463 NH2 ARG A 28 -16.306 -0.418 -6.021 1.00 2.31 N ATOM 0 H ARG A 28 -10.107 -1.338 -9.093 1.00 73.15 H new ATOM 0 HA ARG A 28 -11.285 -1.602 -6.470 1.00 75.44 H new ATOM 0 HB2 ARG A 28 -12.010 -3.004 -9.086 1.00 20.05 H new ATOM 0 HB3 ARG A 28 -13.054 -2.780 -7.697 1.00 20.05 H new ATOM 0 HG2 ARG A 28 -11.993 -0.565 -9.498 1.00 1.14 H new ATOM 0 HG3 ARG A 28 -13.620 -1.216 -9.524 1.00 1.14 H new ATOM 0 HD2 ARG A 28 -12.333 0.229 -7.167 1.00 15.14 H new ATOM 0 HD3 ARG A 28 -13.496 0.929 -8.276 1.00 15.14 H new ATOM 0 HE ARG A 28 -14.168 -1.429 -6.547 1.00 21.42 H new ATOM 0 HH11 ARG A 28 -14.875 1.755 -7.815 1.00 73.34 H new ATOM 0 HH12 ARG A 28 -16.468 1.805 -7.053 1.00 73.34 H new ATOM 0 HH21 ARG A 28 -16.155 -1.348 -5.630 1.00 2.31 H new ATOM 0 HH22 ARG A 28 -17.179 0.077 -5.837 1.00 2.31 H new ATOM 477 N GLY A 29 -10.694 -3.852 -5.656 1.00 62.45 N ATOM 478 CA GLY A 29 -10.342 -5.174 -5.131 1.00 24.30 C ATOM 479 C GLY A 29 -8.840 -5.420 -5.016 1.00 43.20 C ATOM 480 O GLY A 29 -8.301 -6.334 -5.644 1.00 2.34 O ATOM 0 H GLY A 29 -11.090 -3.216 -4.964 1.00 62.45 H new ATOM 0 HA2 GLY A 29 -10.795 -5.295 -4.147 1.00 24.30 H new ATOM 0 HA3 GLY A 29 -10.776 -5.937 -5.777 1.00 24.30 H new ATOM 484 N LEU A 30 -8.162 -4.619 -4.198 1.00 10.42 N ATOM 485 CA LEU A 30 -6.712 -4.766 -4.001 1.00 31.01 C ATOM 486 C LEU A 30 -6.367 -5.683 -2.812 1.00 3.02 C ATOM 487 O LEU A 30 -7.220 -6.004 -1.981 1.00 61.42 O ATOM 488 CB LEU A 30 -6.065 -3.392 -3.805 1.00 73.31 C ATOM 489 CG LEU A 30 -6.243 -2.422 -4.981 1.00 25.03 C ATOM 490 CD1 LEU A 30 -5.517 -1.111 -4.713 1.00 34.13 C ATOM 491 CD2 LEU A 30 -5.759 -3.057 -6.284 1.00 2.01 C ATOM 0 H LEU A 30 -8.586 -3.863 -3.660 1.00 10.42 H new ATOM 0 HA LEU A 30 -6.314 -5.238 -4.899 1.00 31.01 H new ATOM 0 HB2 LEU A 30 -6.483 -2.934 -2.908 1.00 73.31 H new ATOM 0 HB3 LEU A 30 -4.999 -3.531 -3.625 1.00 73.31 H new ATOM 0 HG LEU A 30 -7.306 -2.204 -5.086 1.00 25.03 H new ATOM 0 HD11 LEU A 30 -5.656 -0.438 -5.559 1.00 34.13 H new ATOM 0 HD12 LEU A 30 -5.921 -0.649 -3.812 1.00 34.13 H new ATOM 0 HD13 LEU A 30 -4.453 -1.306 -4.576 1.00 34.13 H new ATOM 0 HD21 LEU A 30 -5.894 -2.352 -7.104 1.00 2.01 H new ATOM 0 HD22 LEU A 30 -4.703 -3.311 -6.195 1.00 2.01 H new ATOM 0 HD23 LEU A 30 -6.334 -3.961 -6.484 1.00 2.01 H new ATOM 503 N LYS A 31 -5.100 -6.095 -2.737 1.00 22.11 N ATOM 504 CA LYS A 31 -4.634 -7.012 -1.688 1.00 35.44 C ATOM 505 C LYS A 31 -3.442 -6.436 -0.904 1.00 30.14 C ATOM 506 O LYS A 31 -2.344 -6.289 -1.440 1.00 60.43 O ATOM 507 CB LYS A 31 -4.263 -8.369 -2.308 1.00 53.32 C ATOM 508 CG LYS A 31 -3.651 -9.366 -1.322 1.00 61.25 C ATOM 509 CD LYS A 31 -3.573 -10.778 -1.907 1.00 41.33 C ATOM 510 CE LYS A 31 -2.713 -10.839 -3.168 1.00 72.13 C ATOM 511 NZ LYS A 31 -1.277 -10.574 -2.891 1.00 20.21 N ATOM 0 H LYS A 31 -4.373 -5.808 -3.392 1.00 22.11 H new ATOM 0 HA LYS A 31 -5.450 -7.147 -0.978 1.00 35.44 H new ATOM 0 HB2 LYS A 31 -5.158 -8.812 -2.746 1.00 53.32 H new ATOM 0 HB3 LYS A 31 -3.558 -8.202 -3.123 1.00 53.32 H new ATOM 0 HG2 LYS A 31 -2.651 -9.033 -1.044 1.00 61.25 H new ATOM 0 HG3 LYS A 31 -4.246 -9.384 -0.409 1.00 61.25 H new ATOM 0 HD2 LYS A 31 -3.164 -11.456 -1.158 1.00 41.33 H new ATOM 0 HD3 LYS A 31 -4.579 -11.128 -2.139 1.00 41.33 H new ATOM 0 HE2 LYS A 31 -2.816 -11.822 -3.627 1.00 72.13 H new ATOM 0 HE3 LYS A 31 -3.081 -10.110 -3.890 1.00 72.13 H new ATOM 0 HZ1 LYS A 31 -0.946 -9.793 -3.493 1.00 20.21 H new ATOM 0 HZ2 LYS A 31 -1.159 -10.314 -1.891 1.00 20.21 H new ATOM 0 HZ3 LYS A 31 -0.721 -11.429 -3.095 1.00 20.21 H new ATOM 525 N TYR A 32 -3.681 -6.103 0.365 1.00 25.41 N ATOM 526 CA TYR A 32 -2.626 -5.613 1.265 1.00 23.24 C ATOM 527 C TYR A 32 -2.137 -6.740 2.199 1.00 73.21 C ATOM 528 O TYR A 32 -2.911 -7.284 2.990 1.00 73.43 O ATOM 529 CB TYR A 32 -3.147 -4.436 2.110 1.00 41.42 C ATOM 530 CG TYR A 32 -3.578 -3.214 1.307 1.00 35.40 C ATOM 531 CD1 TYR A 32 -4.728 -3.242 0.523 1.00 70.12 C ATOM 532 CD2 TYR A 32 -2.842 -2.033 1.346 1.00 3.51 C ATOM 533 CE1 TYR A 32 -5.127 -2.134 -0.202 1.00 33.15 C ATOM 534 CE2 TYR A 32 -3.237 -0.921 0.625 1.00 15.53 C ATOM 535 CZ TYR A 32 -4.380 -0.977 -0.145 1.00 20.14 C ATOM 536 OH TYR A 32 -4.774 0.128 -0.866 1.00 63.21 O ATOM 0 H TYR A 32 -4.602 -6.163 0.799 1.00 25.41 H new ATOM 0 HA TYR A 32 -1.791 -5.275 0.652 1.00 23.24 H new ATOM 0 HB2 TYR A 32 -3.994 -4.780 2.704 1.00 41.42 H new ATOM 0 HB3 TYR A 32 -2.367 -4.137 2.810 1.00 41.42 H new ATOM 0 HD1 TYR A 32 -5.319 -4.145 0.480 1.00 70.12 H new ATOM 0 HD2 TYR A 32 -1.948 -1.984 1.949 1.00 3.51 H new ATOM 0 HE1 TYR A 32 -6.019 -2.175 -0.810 1.00 33.15 H new ATOM 0 HE2 TYR A 32 -2.653 -0.013 0.665 1.00 15.53 H new ATOM 0 HH TYR A 32 -5.745 0.103 -0.998 1.00 63.21 H new ATOM 546 N GLU A 33 -0.854 -7.082 2.106 1.00 24.03 N ATOM 547 CA GLU A 33 -0.264 -8.157 2.922 1.00 50.33 C ATOM 548 C GLU A 33 0.952 -7.655 3.726 1.00 71.43 C ATOM 549 O GLU A 33 1.520 -6.606 3.424 1.00 73.22 O ATOM 550 CB GLU A 33 0.138 -9.324 2.011 1.00 33.34 C ATOM 551 CG GLU A 33 1.162 -8.944 0.946 1.00 50.11 C ATOM 552 CD GLU A 33 1.183 -9.915 -0.225 1.00 51.21 C ATOM 553 OE1 GLU A 33 0.422 -9.701 -1.192 1.00 20.43 O ATOM 554 OE2 GLU A 33 1.954 -10.898 -0.187 1.00 64.30 O ATOM 0 H GLU A 33 -0.194 -6.631 1.472 1.00 24.03 H new ATOM 0 HA GLU A 33 -1.010 -8.495 3.641 1.00 50.33 H new ATOM 0 HB2 GLU A 33 0.545 -10.128 2.624 1.00 33.34 H new ATOM 0 HB3 GLU A 33 -0.754 -9.716 1.522 1.00 33.34 H new ATOM 0 HG2 GLU A 33 0.941 -7.942 0.577 1.00 50.11 H new ATOM 0 HG3 GLU A 33 2.153 -8.906 1.398 1.00 50.11 H new ATOM 561 N LEU A 34 1.345 -8.416 4.745 1.00 54.34 N ATOM 562 CA LEU A 34 2.444 -8.018 5.641 1.00 22.33 C ATOM 563 C LEU A 34 3.799 -8.561 5.156 1.00 41.34 C ATOM 564 O LEU A 34 3.914 -9.727 4.766 1.00 45.23 O ATOM 565 CB LEU A 34 2.173 -8.515 7.072 1.00 70.13 C ATOM 566 CG LEU A 34 3.265 -8.185 8.109 1.00 11.10 C ATOM 567 CD1 LEU A 34 3.335 -6.682 8.375 1.00 41.21 C ATOM 568 CD2 LEU A 34 3.025 -8.951 9.407 1.00 61.45 C ATOM 0 H LEU A 34 0.922 -9.315 4.976 1.00 54.34 H new ATOM 0 HA LEU A 34 2.492 -6.929 5.634 1.00 22.33 H new ATOM 0 HB2 LEU A 34 1.231 -8.087 7.414 1.00 70.13 H new ATOM 0 HB3 LEU A 34 2.040 -9.596 7.043 1.00 70.13 H new ATOM 0 HG LEU A 34 4.224 -8.498 7.697 1.00 11.10 H new ATOM 0 HD11 LEU A 34 4.114 -6.478 9.110 1.00 41.21 H new ATOM 0 HD12 LEU A 34 3.566 -6.159 7.447 1.00 41.21 H new ATOM 0 HD13 LEU A 34 2.375 -6.335 8.758 1.00 41.21 H new ATOM 0 HD21 LEU A 34 3.807 -8.704 10.125 1.00 61.45 H new ATOM 0 HD22 LEU A 34 2.054 -8.675 9.818 1.00 61.45 H new ATOM 0 HD23 LEU A 34 3.043 -10.022 9.206 1.00 61.45 H new ATOM 580 N ILE A 35 4.826 -7.710 5.193 1.00 12.43 N ATOM 581 CA ILE A 35 6.182 -8.110 4.787 1.00 3.51 C ATOM 582 C ILE A 35 7.150 -8.154 5.986 1.00 62.31 C ATOM 583 O ILE A 35 7.830 -9.158 6.213 1.00 21.03 O ATOM 584 CB ILE A 35 6.755 -7.150 3.708 1.00 44.20 C ATOM 585 CG1 ILE A 35 5.813 -7.080 2.493 1.00 20.33 C ATOM 586 CG2 ILE A 35 8.157 -7.585 3.271 1.00 52.41 C ATOM 587 CD1 ILE A 35 5.596 -8.411 1.799 1.00 33.32 C ATOM 0 H ILE A 35 4.749 -6.740 5.499 1.00 12.43 H new ATOM 0 HA ILE A 35 6.095 -9.113 4.369 1.00 3.51 H new ATOM 0 HB ILE A 35 6.831 -6.156 4.149 1.00 44.20 H new ATOM 0 HG12 ILE A 35 4.848 -6.690 2.817 1.00 20.33 H new ATOM 0 HG13 ILE A 35 6.219 -6.369 1.773 1.00 20.33 H new ATOM 0 HG21 ILE A 35 8.533 -6.895 2.515 1.00 52.41 H new ATOM 0 HG22 ILE A 35 8.825 -7.579 4.132 1.00 52.41 H new ATOM 0 HG23 ILE A 35 8.112 -8.591 2.854 1.00 52.41 H new ATOM 0 HD11 ILE A 35 4.921 -8.275 0.954 1.00 33.32 H new ATOM 0 HD12 ILE A 35 6.551 -8.795 1.442 1.00 33.32 H new ATOM 0 HD13 ILE A 35 5.160 -9.121 2.502 1.00 33.32 H new ATOM 599 N SER A 36 7.209 -7.065 6.756 1.00 25.13 N ATOM 600 CA SER A 36 8.164 -6.955 7.875 1.00 63.40 C ATOM 601 C SER A 36 7.567 -6.212 9.079 1.00 63.24 C ATOM 602 O SER A 36 6.743 -5.311 8.923 1.00 22.32 O ATOM 603 CB SER A 36 9.439 -6.234 7.414 1.00 44.42 C ATOM 604 OG SER A 36 10.366 -6.094 8.480 1.00 1.21 O ATOM 0 H SER A 36 6.612 -6.247 6.631 1.00 25.13 H new ATOM 0 HA SER A 36 8.402 -7.970 8.192 1.00 63.40 H new ATOM 0 HB2 SER A 36 9.900 -6.792 6.599 1.00 44.42 H new ATOM 0 HB3 SER A 36 9.181 -5.250 7.022 1.00 44.42 H new ATOM 0 HG SER A 36 11.168 -5.633 8.157 1.00 1.21 H new ATOM 740 N PHE A 46 6.611 -0.859 10.525 1.00 41.22 N ATOM 741 CA PHE A 46 6.058 -2.021 9.826 1.00 4.13 C ATOM 742 C PHE A 46 6.131 -1.817 8.309 1.00 72.02 C ATOM 743 O PHE A 46 6.045 -0.689 7.827 1.00 72.21 O ATOM 744 CB PHE A 46 4.597 -2.235 10.249 1.00 51.23 C ATOM 745 CG PHE A 46 4.416 -2.523 11.721 1.00 0.53 C ATOM 746 CD1 PHE A 46 4.764 -1.580 12.681 1.00 70.01 C ATOM 747 CD2 PHE A 46 3.902 -3.738 12.143 1.00 12.34 C ATOM 748 CE1 PHE A 46 4.601 -1.846 14.027 1.00 32.23 C ATOM 749 CE2 PHE A 46 3.737 -4.007 13.486 1.00 30.55 C ATOM 750 CZ PHE A 46 4.087 -3.061 14.431 1.00 24.14 C ATOM 0 HA PHE A 46 6.645 -2.900 10.091 1.00 4.13 H new ATOM 0 HB2 PHE A 46 4.021 -1.346 9.990 1.00 51.23 H new ATOM 0 HB3 PHE A 46 4.181 -3.063 9.674 1.00 51.23 H new ATOM 0 HD1 PHE A 46 5.167 -0.627 12.371 1.00 70.01 H new ATOM 0 HD2 PHE A 46 3.627 -4.484 11.412 1.00 12.34 H new ATOM 0 HE1 PHE A 46 4.876 -1.104 14.762 1.00 32.23 H new ATOM 0 HE2 PHE A 46 3.334 -4.959 13.800 1.00 30.55 H new ATOM 0 HZ PHE A 46 3.959 -3.272 15.482 1.00 24.14 H new ATOM 760 N VAL A 47 6.286 -2.906 7.560 1.00 72.44 N ATOM 761 CA VAL A 47 6.344 -2.841 6.094 1.00 33.23 C ATOM 762 C VAL A 47 5.243 -3.705 5.458 1.00 51.41 C ATOM 763 O VAL A 47 5.209 -4.927 5.640 1.00 42.12 O ATOM 764 CB VAL A 47 7.722 -3.299 5.553 1.00 54.11 C ATOM 765 CG1 VAL A 47 7.763 -3.228 4.024 1.00 64.14 C ATOM 766 CG2 VAL A 47 8.848 -2.466 6.166 1.00 10.34 C ATOM 0 H VAL A 47 6.374 -3.848 7.941 1.00 72.44 H new ATOM 0 HA VAL A 47 6.189 -1.797 5.821 1.00 33.23 H new ATOM 0 HB VAL A 47 7.870 -4.339 5.844 1.00 54.11 H new ATOM 0 HG11 VAL A 47 8.741 -3.555 3.671 1.00 64.14 H new ATOM 0 HG12 VAL A 47 6.992 -3.877 3.609 1.00 64.14 H new ATOM 0 HG13 VAL A 47 7.585 -2.202 3.703 1.00 64.14 H new ATOM 0 HG21 VAL A 47 9.807 -2.804 5.772 1.00 10.34 H new ATOM 0 HG22 VAL A 47 8.702 -1.416 5.914 1.00 10.34 H new ATOM 0 HG23 VAL A 47 8.839 -2.583 7.250 1.00 10.34 H new ATOM 776 N MET A 48 4.351 -3.060 4.713 1.00 22.32 N ATOM 777 CA MET A 48 3.230 -3.742 4.056 1.00 22.23 C ATOM 778 C MET A 48 3.364 -3.663 2.528 1.00 42.11 C ATOM 779 O MET A 48 3.873 -2.678 1.992 1.00 2.33 O ATOM 780 CB MET A 48 1.904 -3.101 4.492 1.00 70.10 C ATOM 781 CG MET A 48 1.652 -3.158 5.996 1.00 42.23 C ATOM 782 SD MET A 48 1.277 -4.817 6.590 1.00 4.44 S ATOM 783 CE MET A 48 -0.296 -5.125 5.784 1.00 63.31 C ATOM 0 H MET A 48 4.380 -2.054 4.545 1.00 22.32 H new ATOM 0 HA MET A 48 3.244 -4.791 4.352 1.00 22.23 H new ATOM 0 HB2 MET A 48 1.893 -2.059 4.171 1.00 70.10 H new ATOM 0 HB3 MET A 48 1.084 -3.601 3.977 1.00 70.10 H new ATOM 0 HG2 MET A 48 2.531 -2.781 6.520 1.00 42.23 H new ATOM 0 HG3 MET A 48 0.824 -2.494 6.245 1.00 42.23 H new ATOM 0 HE1 MET A 48 -0.733 -6.043 6.177 1.00 63.31 H new ATOM 0 HE2 MET A 48 -0.972 -4.291 5.974 1.00 63.31 H new ATOM 0 HE3 MET A 48 -0.140 -5.228 4.710 1.00 63.31 H new ATOM 793 N GLU A 49 2.911 -4.702 1.832 1.00 71.34 N ATOM 794 CA GLU A 49 2.908 -4.708 0.362 1.00 44.24 C ATOM 795 C GLU A 49 1.478 -4.769 -0.183 1.00 32.31 C ATOM 796 O GLU A 49 0.632 -5.489 0.345 1.00 24.52 O ATOM 797 CB GLU A 49 3.713 -5.896 -0.183 1.00 44.01 C ATOM 798 CG GLU A 49 3.792 -5.930 -1.709 1.00 11.54 C ATOM 799 CD GLU A 49 4.607 -7.100 -2.239 1.00 21.23 C ATOM 800 OE1 GLU A 49 4.028 -8.180 -2.468 1.00 3.34 O ATOM 801 OE2 GLU A 49 5.828 -6.942 -2.439 1.00 1.44 O ATOM 0 H GLU A 49 2.541 -5.552 2.256 1.00 71.34 H new ATOM 0 HA GLU A 49 3.375 -3.780 0.031 1.00 44.24 H new ATOM 0 HB2 GLU A 49 4.723 -5.858 0.224 1.00 44.01 H new ATOM 0 HB3 GLU A 49 3.262 -6.823 0.170 1.00 44.01 H new ATOM 0 HG2 GLU A 49 2.783 -5.983 -2.118 1.00 11.54 H new ATOM 0 HG3 GLU A 49 4.231 -4.998 -2.065 1.00 11.54 H new ATOM 808 N VAL A 50 1.210 -4.014 -1.240 1.00 52.24 N ATOM 809 CA VAL A 50 -0.105 -4.019 -1.877 1.00 33.14 C ATOM 810 C VAL A 50 -0.009 -4.407 -3.361 1.00 24.34 C ATOM 811 O VAL A 50 0.779 -3.835 -4.118 1.00 1.11 O ATOM 812 CB VAL A 50 -0.805 -2.640 -1.736 1.00 3.54 C ATOM 813 CG1 VAL A 50 0.063 -1.513 -2.296 1.00 40.31 C ATOM 814 CG2 VAL A 50 -2.178 -2.662 -2.410 1.00 51.13 C ATOM 0 H VAL A 50 1.886 -3.388 -1.677 1.00 52.24 H new ATOM 0 HA VAL A 50 -0.705 -4.769 -1.362 1.00 33.14 H new ATOM 0 HB VAL A 50 -0.948 -2.444 -0.673 1.00 3.54 H new ATOM 0 HG11 VAL A 50 -0.457 -0.562 -2.181 1.00 40.31 H new ATOM 0 HG12 VAL A 50 1.008 -1.478 -1.754 1.00 40.31 H new ATOM 0 HG13 VAL A 50 0.258 -1.695 -3.353 1.00 40.31 H new ATOM 0 HG21 VAL A 50 -2.653 -1.687 -2.300 1.00 51.13 H new ATOM 0 HG22 VAL A 50 -2.060 -2.891 -3.469 1.00 51.13 H new ATOM 0 HG23 VAL A 50 -2.801 -3.424 -1.941 1.00 51.13 H new ATOM 824 N GLU A 51 -0.798 -5.403 -3.765 1.00 53.23 N ATOM 825 CA GLU A 51 -0.893 -5.787 -5.176 1.00 43.42 C ATOM 826 C GLU A 51 -1.924 -4.907 -5.900 1.00 35.21 C ATOM 827 O GLU A 51 -3.134 -5.097 -5.757 1.00 1.31 O ATOM 828 CB GLU A 51 -1.266 -7.274 -5.313 1.00 73.23 C ATOM 829 CG GLU A 51 -1.486 -7.721 -6.758 1.00 33.14 C ATOM 830 CD GLU A 51 -1.832 -9.198 -6.884 1.00 73.11 C ATOM 831 OE1 GLU A 51 -2.896 -9.613 -6.379 1.00 33.40 O ATOM 832 OE2 GLU A 51 -1.044 -9.951 -7.492 1.00 33.21 O ATOM 0 H GLU A 51 -1.380 -5.958 -3.138 1.00 53.23 H new ATOM 0 HA GLU A 51 0.082 -5.636 -5.639 1.00 43.42 H new ATOM 0 HB2 GLU A 51 -0.475 -7.880 -4.871 1.00 73.23 H new ATOM 0 HB3 GLU A 51 -2.173 -7.466 -4.740 1.00 73.23 H new ATOM 0 HG2 GLU A 51 -2.289 -7.128 -7.196 1.00 33.14 H new ATOM 0 HG3 GLU A 51 -0.585 -7.515 -7.336 1.00 33.14 H new ATOM 839 N VAL A 52 -1.431 -3.931 -6.654 1.00 32.04 N ATOM 840 CA VAL A 52 -2.285 -2.994 -7.388 1.00 52.23 C ATOM 841 C VAL A 52 -2.249 -3.269 -8.896 1.00 3.34 C ATOM 842 O VAL A 52 -1.241 -3.007 -9.556 1.00 34.41 O ATOM 843 CB VAL A 52 -1.843 -1.532 -7.131 1.00 0.13 C ATOM 844 CG1 VAL A 52 -2.796 -0.544 -7.803 1.00 42.41 C ATOM 845 CG2 VAL A 52 -1.740 -1.256 -5.636 1.00 15.43 C ATOM 0 H VAL A 52 -0.432 -3.764 -6.776 1.00 32.04 H new ATOM 0 HA VAL A 52 -3.303 -3.137 -7.027 1.00 52.23 H new ATOM 0 HB VAL A 52 -0.855 -1.395 -7.572 1.00 0.13 H new ATOM 0 HG11 VAL A 52 -2.462 0.475 -7.606 1.00 42.41 H new ATOM 0 HG12 VAL A 52 -2.805 -0.722 -8.878 1.00 42.41 H new ATOM 0 HG13 VAL A 52 -3.801 -0.680 -7.404 1.00 42.41 H new ATOM 0 HG21 VAL A 52 -1.428 -0.224 -5.477 1.00 15.43 H new ATOM 0 HG22 VAL A 52 -2.711 -1.418 -5.168 1.00 15.43 H new ATOM 0 HG23 VAL A 52 -1.007 -1.929 -5.191 1.00 15.43 H new ATOM 855 N ASP A 53 -3.345 -3.812 -9.434 1.00 22.22 N ATOM 856 CA ASP A 53 -3.457 -4.082 -10.876 1.00 42.01 C ATOM 857 C ASP A 53 -2.380 -5.095 -11.329 1.00 60.51 C ATOM 858 O ASP A 53 -1.978 -5.135 -12.493 1.00 2.24 O ATOM 859 CB ASP A 53 -3.352 -2.753 -11.651 1.00 24.53 C ATOM 860 CG ASP A 53 -3.688 -2.888 -13.129 1.00 53.53 C ATOM 861 OD1 ASP A 53 -4.819 -3.312 -13.450 1.00 52.45 O ATOM 862 OD2 ASP A 53 -2.829 -2.560 -13.974 1.00 73.35 O ATOM 0 H ASP A 53 -4.170 -4.075 -8.894 1.00 22.22 H new ATOM 0 HA ASP A 53 -4.427 -4.532 -11.089 1.00 42.01 H new ATOM 0 HB2 ASP A 53 -4.023 -2.023 -11.199 1.00 24.53 H new ATOM 0 HB3 ASP A 53 -2.340 -2.361 -11.550 1.00 24.53 H new ATOM 867 N GLY A 54 -1.945 -5.943 -10.395 1.00 42.43 N ATOM 868 CA GLY A 54 -0.884 -6.906 -10.676 1.00 40.44 C ATOM 869 C GLY A 54 0.496 -6.432 -10.218 1.00 51.43 C ATOM 870 O GLY A 54 1.403 -7.241 -10.023 1.00 50.12 O ATOM 0 H GLY A 54 -2.310 -5.981 -9.443 1.00 42.43 H new ATOM 0 HA2 GLY A 54 -1.119 -7.850 -10.184 1.00 40.44 H new ATOM 0 HA3 GLY A 54 -0.856 -7.104 -11.748 1.00 40.44 H new ATOM 874 N GLN A 55 0.644 -5.122 -10.033 1.00 13.33 N ATOM 875 CA GLN A 55 1.923 -4.519 -9.628 1.00 23.13 C ATOM 876 C GLN A 55 2.022 -4.393 -8.098 1.00 0.35 C ATOM 877 O GLN A 55 1.173 -3.772 -7.467 1.00 14.54 O ATOM 878 CB GLN A 55 2.056 -3.131 -10.267 1.00 73.25 C ATOM 879 CG GLN A 55 2.060 -3.153 -11.792 1.00 54.11 C ATOM 880 CD GLN A 55 1.885 -1.772 -12.398 1.00 44.11 C ATOM 881 OE1 GLN A 55 2.849 -1.047 -12.625 1.00 34.00 O ATOM 882 NE2 GLN A 55 0.652 -1.401 -12.668 1.00 24.33 N ATOM 0 H GLN A 55 -0.111 -4.448 -10.157 1.00 13.33 H new ATOM 0 HA GLN A 55 2.731 -5.167 -9.968 1.00 23.13 H new ATOM 0 HB2 GLN A 55 1.234 -2.503 -9.924 1.00 73.25 H new ATOM 0 HB3 GLN A 55 2.978 -2.667 -9.917 1.00 73.25 H new ATOM 0 HG2 GLN A 55 2.998 -3.583 -12.143 1.00 54.11 H new ATOM 0 HG3 GLN A 55 1.260 -3.804 -12.144 1.00 54.11 H new ATOM 0 HE21 GLN A 55 -0.126 -2.030 -12.466 1.00 24.33 H new ATOM 0 HE22 GLN A 55 0.474 -0.485 -13.079 1.00 24.33 H new ATOM 891 N LYS A 56 3.062 -4.977 -7.506 1.00 61.10 N ATOM 892 CA LYS A 56 3.232 -4.952 -6.043 1.00 3.50 C ATOM 893 C LYS A 56 4.066 -3.743 -5.578 1.00 74.24 C ATOM 894 O LYS A 56 5.136 -3.462 -6.125 1.00 54.04 O ATOM 895 CB LYS A 56 3.887 -6.255 -5.548 1.00 10.40 C ATOM 896 CG LYS A 56 3.015 -7.505 -5.706 1.00 65.54 C ATOM 897 CD LYS A 56 2.868 -7.923 -7.167 1.00 11.52 C ATOM 898 CE LYS A 56 2.061 -9.207 -7.319 1.00 24.50 C ATOM 899 NZ LYS A 56 1.903 -9.597 -8.747 1.00 41.53 N ATOM 0 H LYS A 56 3.799 -5.472 -8.008 1.00 61.10 H new ATOM 0 HA LYS A 56 2.236 -4.860 -5.610 1.00 3.50 H new ATOM 0 HB2 LYS A 56 4.820 -6.407 -6.091 1.00 10.40 H new ATOM 0 HB3 LYS A 56 4.147 -6.139 -4.496 1.00 10.40 H new ATOM 0 HG2 LYS A 56 3.452 -8.326 -5.137 1.00 65.54 H new ATOM 0 HG3 LYS A 56 2.029 -7.314 -5.283 1.00 65.54 H new ATOM 0 HD2 LYS A 56 2.383 -7.122 -7.725 1.00 11.52 H new ATOM 0 HD3 LYS A 56 3.856 -8.063 -7.605 1.00 11.52 H new ATOM 0 HE2 LYS A 56 2.554 -10.012 -6.775 1.00 24.50 H new ATOM 0 HE3 LYS A 56 1.078 -9.073 -6.868 1.00 24.50 H new ATOM 0 HZ1 LYS A 56 1.048 -10.179 -8.855 1.00 41.53 H new ATOM 0 HZ2 LYS A 56 1.816 -8.742 -9.333 1.00 41.53 H new ATOM 0 HZ3 LYS A 56 2.734 -10.143 -9.052 1.00 41.53 H new ATOM 913 N PHE A 57 3.567 -3.035 -4.559 1.00 44.32 N ATOM 914 CA PHE A 57 4.262 -1.869 -3.987 1.00 2.24 C ATOM 915 C PHE A 57 4.366 -1.981 -2.454 1.00 21.21 C ATOM 916 O PHE A 57 3.377 -2.264 -1.779 1.00 51.23 O ATOM 917 CB PHE A 57 3.524 -0.575 -4.355 1.00 15.24 C ATOM 918 CG PHE A 57 3.416 -0.327 -5.842 1.00 1.14 C ATOM 919 CD1 PHE A 57 4.449 0.289 -6.536 1.00 4.31 C ATOM 920 CD2 PHE A 57 2.281 -0.713 -6.544 1.00 13.55 C ATOM 921 CE1 PHE A 57 4.351 0.516 -7.895 1.00 23.53 C ATOM 922 CE2 PHE A 57 2.180 -0.487 -7.905 1.00 74.34 C ATOM 923 CZ PHE A 57 3.217 0.126 -8.580 1.00 2.21 C ATOM 0 H PHE A 57 2.677 -3.249 -4.108 1.00 44.32 H new ATOM 0 HA PHE A 57 5.269 -1.845 -4.404 1.00 2.24 H new ATOM 0 HB2 PHE A 57 2.521 -0.608 -3.929 1.00 15.24 H new ATOM 0 HB3 PHE A 57 4.039 0.268 -3.894 1.00 15.24 H new ATOM 0 HD1 PHE A 57 5.340 0.594 -6.007 1.00 4.31 H new ATOM 0 HD2 PHE A 57 1.468 -1.195 -6.021 1.00 13.55 H new ATOM 0 HE1 PHE A 57 5.161 0.998 -8.422 1.00 23.53 H new ATOM 0 HE2 PHE A 57 1.291 -0.790 -8.439 1.00 74.34 H new ATOM 0 HZ PHE A 57 3.141 0.300 -9.643 1.00 2.21 H new ATOM 933 N GLN A 58 5.563 -1.756 -1.910 1.00 13.45 N ATOM 934 CA GLN A 58 5.794 -1.844 -0.457 1.00 50.24 C ATOM 935 C GLN A 58 5.998 -0.461 0.193 1.00 40.23 C ATOM 936 O GLN A 58 6.582 0.447 -0.404 1.00 21.02 O ATOM 937 CB GLN A 58 7.018 -2.726 -0.168 1.00 14.35 C ATOM 938 CG GLN A 58 6.786 -4.211 -0.421 1.00 23.33 C ATOM 939 CD GLN A 58 8.036 -5.048 -0.209 1.00 65.53 C ATOM 940 OE1 GLN A 58 8.911 -4.696 0.570 1.00 40.14 O ATOM 941 NE2 GLN A 58 8.115 -6.176 -0.878 1.00 4.01 N ATOM 0 H GLN A 58 6.393 -1.511 -2.450 1.00 13.45 H new ATOM 0 HA GLN A 58 4.899 -2.287 -0.021 1.00 50.24 H new ATOM 0 HB2 GLN A 58 7.850 -2.388 -0.786 1.00 14.35 H new ATOM 0 HB3 GLN A 58 7.316 -2.587 0.871 1.00 14.35 H new ATOM 0 HG2 GLN A 58 5.998 -4.569 0.242 1.00 23.33 H new ATOM 0 HG3 GLN A 58 6.431 -4.350 -1.442 1.00 23.33 H new ATOM 0 HE21 GLN A 58 7.368 -6.441 -1.520 1.00 4.01 H new ATOM 0 HE22 GLN A 58 8.923 -6.786 -0.755 1.00 4.01 H new ATOM 950 N GLY A 59 5.524 -0.323 1.432 1.00 0.52 N ATOM 951 CA GLY A 59 5.691 0.917 2.186 1.00 41.34 C ATOM 952 C GLY A 59 5.853 0.677 3.686 1.00 32.21 C ATOM 953 O GLY A 59 5.410 -0.351 4.205 1.00 1.44 O ATOM 0 H GLY A 59 5.022 -1.056 1.933 1.00 0.52 H new ATOM 0 HA2 GLY A 59 6.564 1.451 1.811 1.00 41.34 H new ATOM 0 HA3 GLY A 59 4.827 1.560 2.016 1.00 41.34 H new ATOM 957 N ALA A 60 6.479 1.624 4.383 1.00 2.33 N ATOM 958 CA ALA A 60 6.755 1.485 5.822 1.00 1.33 C ATOM 959 C ALA A 60 6.024 2.552 6.658 1.00 41.43 C ATOM 960 O ALA A 60 5.868 3.693 6.226 1.00 50.34 O ATOM 961 CB ALA A 60 8.259 1.560 6.073 1.00 4.12 C ATOM 0 H ALA A 60 6.808 2.500 3.978 1.00 2.33 H new ATOM 0 HA ALA A 60 6.379 0.512 6.137 1.00 1.33 H new ATOM 0 HB1 ALA A 60 8.455 1.456 7.140 1.00 4.12 H new ATOM 0 HB2 ALA A 60 8.759 0.756 5.532 1.00 4.12 H new ATOM 0 HB3 ALA A 60 8.638 2.521 5.726 1.00 4.12 H new ATOM 967 N GLY A 61 5.586 2.170 7.860 1.00 20.02 N ATOM 968 CA GLY A 61 4.884 3.101 8.745 1.00 15.52 C ATOM 969 C GLY A 61 4.965 2.704 10.221 1.00 3.22 C ATOM 970 O GLY A 61 5.531 1.669 10.557 1.00 74.45 O ATOM 0 H GLY A 61 5.704 1.231 8.240 1.00 20.02 H new ATOM 0 HA2 GLY A 61 5.305 4.099 8.620 1.00 15.52 H new ATOM 0 HA3 GLY A 61 3.837 3.157 8.447 1.00 15.52 H new ATOM 974 N SER A 62 4.387 3.522 11.103 1.00 21.22 N ATOM 975 CA SER A 62 4.434 3.268 12.562 1.00 3.53 C ATOM 976 C SER A 62 3.606 2.040 12.983 1.00 23.20 C ATOM 977 O SER A 62 3.734 1.547 14.101 1.00 35.03 O ATOM 978 CB SER A 62 3.938 4.498 13.337 1.00 15.02 C ATOM 979 OG SER A 62 4.695 5.652 13.007 1.00 73.32 O ATOM 0 H SER A 62 3.879 4.367 10.842 1.00 21.22 H new ATOM 0 HA SER A 62 5.477 3.064 12.804 1.00 3.53 H new ATOM 0 HB2 SER A 62 2.886 4.673 13.112 1.00 15.02 H new ATOM 0 HB3 SER A 62 4.007 4.308 14.408 1.00 15.02 H new ATOM 0 HG SER A 62 4.357 6.420 13.513 1.00 73.32 H new ATOM 985 N ASN A 63 2.745 1.568 12.090 1.00 74.12 N ATOM 986 CA ASN A 63 1.909 0.382 12.339 1.00 54.11 C ATOM 987 C ASN A 63 1.365 -0.163 11.015 1.00 53.12 C ATOM 988 O ASN A 63 1.595 0.434 9.967 1.00 31.51 O ATOM 989 CB ASN A 63 0.752 0.711 13.298 1.00 53.25 C ATOM 990 CG ASN A 63 -0.009 1.954 12.886 1.00 55.41 C ATOM 991 OD1 ASN A 63 -0.880 1.909 12.024 1.00 70.22 O ATOM 992 ND2 ASN A 63 0.300 3.073 13.510 1.00 73.20 N ATOM 0 H ASN A 63 2.601 1.990 11.172 1.00 74.12 H new ATOM 0 HA ASN A 63 2.529 -0.381 12.810 1.00 54.11 H new ATOM 0 HB2 ASN A 63 0.066 -0.135 13.337 1.00 53.25 H new ATOM 0 HB3 ASN A 63 1.147 0.848 14.305 1.00 53.25 H new ATOM 0 HD21 ASN A 63 -0.191 3.937 13.281 1.00 73.20 H new ATOM 0 HD22 ASN A 63 1.030 3.075 14.222 1.00 73.20 H new ATOM 999 N LYS A 64 0.648 -1.290 11.058 1.00 52.52 N ATOM 1000 CA LYS A 64 0.087 -1.887 9.834 1.00 42.05 C ATOM 1001 C LYS A 64 -0.746 -0.875 9.028 1.00 12.42 C ATOM 1002 O LYS A 64 -0.593 -0.766 7.813 1.00 61.13 O ATOM 1003 CB LYS A 64 -0.767 -3.123 10.162 1.00 0.21 C ATOM 1004 CG LYS A 64 0.041 -4.374 10.505 1.00 44.13 C ATOM 1005 CD LYS A 64 -0.867 -5.591 10.674 1.00 64.20 C ATOM 1006 CE LYS A 64 -0.080 -6.887 10.849 1.00 63.01 C ATOM 1007 NZ LYS A 64 0.733 -6.894 12.094 1.00 25.21 N ATOM 0 H LYS A 64 0.442 -1.805 11.914 1.00 52.52 H new ATOM 0 HA LYS A 64 0.933 -2.193 9.219 1.00 42.05 H new ATOM 0 HB2 LYS A 64 -1.421 -2.886 11.001 1.00 0.21 H new ATOM 0 HB3 LYS A 64 -1.410 -3.342 9.309 1.00 0.21 H new ATOM 0 HG2 LYS A 64 0.769 -4.567 9.717 1.00 44.13 H new ATOM 0 HG3 LYS A 64 0.603 -4.206 11.424 1.00 44.13 H new ATOM 0 HD2 LYS A 64 -1.512 -5.442 11.540 1.00 64.20 H new ATOM 0 HD3 LYS A 64 -1.517 -5.679 9.804 1.00 64.20 H new ATOM 0 HE2 LYS A 64 -0.772 -7.729 10.866 1.00 63.01 H new ATOM 0 HE3 LYS A 64 0.575 -7.030 9.990 1.00 63.01 H new ATOM 0 HZ1 LYS A 64 1.248 -7.794 12.167 1.00 25.21 H new ATOM 0 HZ2 LYS A 64 1.413 -6.107 12.069 1.00 25.21 H new ATOM 0 HZ3 LYS A 64 0.107 -6.785 12.918 1.00 25.21 H new ATOM 1021 N LYS A 65 -1.616 -0.133 9.713 1.00 43.42 N ATOM 1022 CA LYS A 65 -2.463 0.877 9.059 1.00 31.42 C ATOM 1023 C LYS A 65 -1.617 1.944 8.338 1.00 22.43 C ATOM 1024 O LYS A 65 -1.802 2.210 7.149 1.00 61.22 O ATOM 1025 CB LYS A 65 -3.372 1.554 10.098 1.00 74.02 C ATOM 1026 CG LYS A 65 -4.374 0.611 10.764 1.00 33.04 C ATOM 1027 CD LYS A 65 -5.080 1.276 11.948 1.00 73.41 C ATOM 1028 CE LYS A 65 -5.806 2.557 11.543 1.00 3.20 C ATOM 1029 NZ LYS A 65 -6.947 2.295 10.625 1.00 2.04 N ATOM 0 H LYS A 65 -1.756 -0.209 10.720 1.00 43.42 H new ATOM 0 HA LYS A 65 -3.073 0.367 8.313 1.00 31.42 H new ATOM 0 HB2 LYS A 65 -2.749 2.007 10.869 1.00 74.02 H new ATOM 0 HB3 LYS A 65 -3.918 2.363 9.614 1.00 74.02 H new ATOM 0 HG2 LYS A 65 -5.115 0.292 10.031 1.00 33.04 H new ATOM 0 HG3 LYS A 65 -3.857 -0.286 11.106 1.00 33.04 H new ATOM 0 HD2 LYS A 65 -5.795 0.577 12.381 1.00 73.41 H new ATOM 0 HD3 LYS A 65 -4.348 1.505 12.723 1.00 73.41 H new ATOM 0 HE2 LYS A 65 -6.171 3.063 12.437 1.00 3.20 H new ATOM 0 HE3 LYS A 65 -5.101 3.233 11.059 1.00 3.20 H new ATOM 0 HZ1 LYS A 65 -7.418 3.192 10.392 1.00 2.04 H new ATOM 0 HZ2 LYS A 65 -6.596 1.852 9.752 1.00 2.04 H new ATOM 0 HZ3 LYS A 65 -7.626 1.658 11.088 1.00 2.04 H new ATOM 1043 N VAL A 66 -0.681 2.545 9.071 1.00 73.20 N ATOM 1044 CA VAL A 66 0.198 3.583 8.516 1.00 21.33 C ATOM 1045 C VAL A 66 1.111 3.025 7.408 1.00 74.52 C ATOM 1046 O VAL A 66 1.371 3.692 6.408 1.00 33.31 O ATOM 1047 CB VAL A 66 1.062 4.236 9.627 1.00 14.12 C ATOM 1048 CG1 VAL A 66 1.968 5.322 9.051 1.00 64.30 C ATOM 1049 CG2 VAL A 66 0.177 4.803 10.736 1.00 11.12 C ATOM 0 H VAL A 66 -0.509 2.333 10.054 1.00 73.20 H new ATOM 0 HA VAL A 66 -0.448 4.343 8.077 1.00 21.33 H new ATOM 0 HB VAL A 66 1.697 3.462 10.057 1.00 14.12 H new ATOM 0 HG11 VAL A 66 2.562 5.763 9.852 1.00 64.30 H new ATOM 0 HG12 VAL A 66 2.632 4.884 8.305 1.00 64.30 H new ATOM 0 HG13 VAL A 66 1.358 6.095 8.584 1.00 64.30 H new ATOM 0 HG21 VAL A 66 0.803 5.256 11.505 1.00 11.12 H new ATOM 0 HG22 VAL A 66 -0.490 5.558 10.319 1.00 11.12 H new ATOM 0 HG23 VAL A 66 -0.414 4.000 11.176 1.00 11.12 H new ATOM 1059 N ALA A 67 1.587 1.798 7.589 1.00 64.25 N ATOM 1060 CA ALA A 67 2.426 1.138 6.584 1.00 73.52 C ATOM 1061 C ALA A 67 1.645 0.895 5.286 1.00 55.20 C ATOM 1062 O ALA A 67 2.162 1.108 4.192 1.00 42.14 O ATOM 1063 CB ALA A 67 2.974 -0.172 7.132 1.00 30.51 C ATOM 0 H ALA A 67 1.408 1.236 8.422 1.00 64.25 H new ATOM 0 HA ALA A 67 3.262 1.798 6.353 1.00 73.52 H new ATOM 0 HB1 ALA A 67 3.595 -0.651 6.375 1.00 30.51 H new ATOM 0 HB2 ALA A 67 3.573 0.028 8.020 1.00 30.51 H new ATOM 0 HB3 ALA A 67 2.147 -0.832 7.393 1.00 30.51 H new ATOM 1069 N LYS A 68 0.394 0.449 5.421 1.00 53.42 N ATOM 1070 CA LYS A 68 -0.508 0.311 4.270 1.00 4.34 C ATOM 1071 C LYS A 68 -0.708 1.662 3.569 1.00 24.51 C ATOM 1072 O LYS A 68 -0.867 1.723 2.351 1.00 62.34 O ATOM 1073 CB LYS A 68 -1.867 -0.254 4.718 1.00 74.23 C ATOM 1074 CG LYS A 68 -1.809 -1.710 5.175 1.00 72.04 C ATOM 1075 CD LYS A 68 -3.121 -2.173 5.810 1.00 3.24 C ATOM 1076 CE LYS A 68 -4.298 -2.091 4.842 1.00 13.13 C ATOM 1077 NZ LYS A 68 -5.540 -2.652 5.436 1.00 45.41 N ATOM 0 H LYS A 68 -0.019 0.177 6.313 1.00 53.42 H new ATOM 0 HA LYS A 68 -0.051 -0.382 3.564 1.00 4.34 H new ATOM 0 HB2 LYS A 68 -2.253 0.358 5.533 1.00 74.23 H new ATOM 0 HB3 LYS A 68 -2.575 -0.170 3.893 1.00 74.23 H new ATOM 0 HG2 LYS A 68 -1.577 -2.347 4.322 1.00 72.04 H new ATOM 0 HG3 LYS A 68 -0.998 -1.831 5.893 1.00 72.04 H new ATOM 0 HD2 LYS A 68 -3.011 -3.200 6.157 1.00 3.24 H new ATOM 0 HD3 LYS A 68 -3.332 -1.561 6.687 1.00 3.24 H new ATOM 0 HE2 LYS A 68 -4.466 -1.051 4.562 1.00 13.13 H new ATOM 0 HE3 LYS A 68 -4.055 -2.632 3.928 1.00 13.13 H new ATOM 0 HZ1 LYS A 68 -6.317 -2.579 4.749 1.00 45.41 H new ATOM 0 HZ2 LYS A 68 -5.387 -3.651 5.681 1.00 45.41 H new ATOM 0 HZ3 LYS A 68 -5.786 -2.119 6.295 1.00 45.41 H new ATOM 1091 N ALA A 69 -0.703 2.743 4.352 1.00 14.24 N ATOM 1092 CA ALA A 69 -0.819 4.100 3.808 1.00 30.23 C ATOM 1093 C ALA A 69 0.361 4.444 2.885 1.00 10.02 C ATOM 1094 O ALA A 69 0.164 4.892 1.754 1.00 40.14 O ATOM 1095 CB ALA A 69 -0.933 5.121 4.938 1.00 33.43 C ATOM 0 H ALA A 69 -0.620 2.706 5.368 1.00 14.24 H new ATOM 0 HA ALA A 69 -1.728 4.139 3.207 1.00 30.23 H new ATOM 0 HB1 ALA A 69 -1.018 6.122 4.516 1.00 33.43 H new ATOM 0 HB2 ALA A 69 -1.817 4.903 5.537 1.00 33.43 H new ATOM 0 HB3 ALA A 69 -0.045 5.067 5.568 1.00 33.43 H new ATOM 1101 N TYR A 70 1.586 4.233 3.369 1.00 33.31 N ATOM 1102 CA TYR A 70 2.788 4.491 2.561 1.00 52.34 C ATOM 1103 C TYR A 70 2.920 3.491 1.400 1.00 21.45 C ATOM 1104 O TYR A 70 3.436 3.831 0.334 1.00 73.11 O ATOM 1105 CB TYR A 70 4.049 4.477 3.441 1.00 24.25 C ATOM 1106 CG TYR A 70 4.175 5.708 4.327 1.00 40.01 C ATOM 1107 CD1 TYR A 70 3.546 5.769 5.566 1.00 13.42 C ATOM 1108 CD2 TYR A 70 4.922 6.811 3.920 1.00 63.14 C ATOM 1109 CE1 TYR A 70 3.654 6.889 6.370 1.00 64.12 C ATOM 1110 CE2 TYR A 70 5.035 7.934 4.720 1.00 44.22 C ATOM 1111 CZ TYR A 70 4.400 7.967 5.946 1.00 14.25 C ATOM 1112 OH TYR A 70 4.512 9.082 6.749 1.00 43.23 O ATOM 0 H TYR A 70 1.776 3.887 4.309 1.00 33.31 H new ATOM 0 HA TYR A 70 2.682 5.484 2.125 1.00 52.34 H new ATOM 0 HB2 TYR A 70 4.037 3.586 4.068 1.00 24.25 H new ATOM 0 HB3 TYR A 70 4.929 4.405 2.802 1.00 24.25 H new ATOM 0 HD1 TYR A 70 2.963 4.926 5.906 1.00 13.42 H new ATOM 0 HD2 TYR A 70 5.422 6.789 2.963 1.00 63.14 H new ATOM 0 HE1 TYR A 70 3.155 6.919 7.327 1.00 64.12 H new ATOM 0 HE2 TYR A 70 5.617 8.781 4.387 1.00 44.22 H new ATOM 0 HH TYR A 70 5.073 9.751 6.304 1.00 43.23 H new ATOM 1122 N ALA A 71 2.449 2.262 1.605 1.00 3.53 N ATOM 1123 CA ALA A 71 2.391 1.269 0.527 1.00 33.41 C ATOM 1124 C ALA A 71 1.451 1.741 -0.591 1.00 75.04 C ATOM 1125 O ALA A 71 1.784 1.677 -1.777 1.00 74.23 O ATOM 1126 CB ALA A 71 1.938 -0.082 1.076 1.00 54.13 C ATOM 0 H ALA A 71 2.102 1.928 2.504 1.00 3.53 H new ATOM 0 HA ALA A 71 3.390 1.154 0.106 1.00 33.41 H new ATOM 0 HB1 ALA A 71 1.899 -0.810 0.265 1.00 54.13 H new ATOM 0 HB2 ALA A 71 2.643 -0.421 1.835 1.00 54.13 H new ATOM 0 HB3 ALA A 71 0.948 0.019 1.520 1.00 54.13 H new ATOM 1132 N ALA A 72 0.281 2.231 -0.193 1.00 50.14 N ATOM 1133 CA ALA A 72 -0.678 2.814 -1.131 1.00 71.41 C ATOM 1134 C ALA A 72 -0.096 4.064 -1.808 1.00 10.15 C ATOM 1135 O ALA A 72 -0.300 4.287 -3.001 1.00 53.22 O ATOM 1136 CB ALA A 72 -1.977 3.151 -0.409 1.00 34.31 C ATOM 0 H ALA A 72 -0.029 2.237 0.779 1.00 50.14 H new ATOM 0 HA ALA A 72 -0.888 2.080 -1.909 1.00 71.41 H new ATOM 0 HB1 ALA A 72 -2.684 3.584 -1.116 1.00 34.31 H new ATOM 0 HB2 ALA A 72 -2.402 2.243 0.019 1.00 34.31 H new ATOM 0 HB3 ALA A 72 -1.775 3.867 0.388 1.00 34.31 H new ATOM 1142 N LEU A 73 0.634 4.871 -1.036 1.00 53.21 N ATOM 1143 CA LEU A 73 1.339 6.043 -1.575 1.00 31.02 C ATOM 1144 C LEU A 73 2.309 5.649 -2.699 1.00 12.22 C ATOM 1145 O LEU A 73 2.369 6.312 -3.733 1.00 75.13 O ATOM 1146 CB LEU A 73 2.099 6.775 -0.456 1.00 13.43 C ATOM 1147 CG LEU A 73 1.256 7.730 0.402 1.00 2.02 C ATOM 1148 CD1 LEU A 73 2.079 8.287 1.562 1.00 35.12 C ATOM 1149 CD2 LEU A 73 0.703 8.868 -0.451 1.00 13.42 C ATOM 0 H LEU A 73 0.755 4.737 -0.032 1.00 53.21 H new ATOM 0 HA LEU A 73 0.589 6.713 -1.996 1.00 31.02 H new ATOM 0 HB2 LEU A 73 2.552 6.030 0.199 1.00 13.43 H new ATOM 0 HB3 LEU A 73 2.914 7.342 -0.905 1.00 13.43 H new ATOM 0 HG LEU A 73 0.419 7.166 0.815 1.00 2.02 H new ATOM 0 HD11 LEU A 73 1.461 8.961 2.156 1.00 35.12 H new ATOM 0 HD12 LEU A 73 2.426 7.466 2.189 1.00 35.12 H new ATOM 0 HD13 LEU A 73 2.937 8.832 1.170 1.00 35.12 H new ATOM 0 HD21 LEU A 73 0.108 9.535 0.173 1.00 13.42 H new ATOM 0 HD22 LEU A 73 1.529 9.425 -0.893 1.00 13.42 H new ATOM 0 HD23 LEU A 73 0.077 8.458 -1.243 1.00 13.42 H new ATOM 1161 N ALA A 74 3.063 4.570 -2.490 1.00 72.44 N ATOM 1162 CA ALA A 74 3.986 4.059 -3.512 1.00 53.53 C ATOM 1163 C ALA A 74 3.245 3.716 -4.817 1.00 5.54 C ATOM 1164 O ALA A 74 3.754 3.936 -5.916 1.00 13.40 O ATOM 1165 CB ALA A 74 4.730 2.832 -2.987 1.00 65.33 C ATOM 0 H ALA A 74 3.055 4.031 -1.624 1.00 72.44 H new ATOM 0 HA ALA A 74 4.708 4.845 -3.734 1.00 53.53 H new ATOM 0 HB1 ALA A 74 5.411 2.463 -3.754 1.00 65.33 H new ATOM 0 HB2 ALA A 74 5.299 3.104 -2.098 1.00 65.33 H new ATOM 0 HB3 ALA A 74 4.012 2.052 -2.734 1.00 65.33 H new ATOM 1171 N ALA A 75 2.037 3.176 -4.681 1.00 60.13 N ATOM 1172 CA ALA A 75 1.196 2.850 -5.836 1.00 53.35 C ATOM 1173 C ALA A 75 0.586 4.111 -6.473 1.00 64.24 C ATOM 1174 O ALA A 75 0.500 4.222 -7.698 1.00 73.02 O ATOM 1175 CB ALA A 75 0.096 1.884 -5.416 1.00 51.32 C ATOM 0 H ALA A 75 1.615 2.953 -3.780 1.00 60.13 H new ATOM 0 HA ALA A 75 1.827 2.378 -6.589 1.00 53.35 H new ATOM 0 HB1 ALA A 75 -0.527 1.645 -6.278 1.00 51.32 H new ATOM 0 HB2 ALA A 75 0.544 0.970 -5.027 1.00 51.32 H new ATOM 0 HB3 ALA A 75 -0.518 2.345 -4.642 1.00 51.32 H new ATOM 1181 N LEU A 76 0.165 5.056 -5.637 1.00 12.12 N ATOM 1182 CA LEU A 76 -0.443 6.305 -6.113 1.00 63.50 C ATOM 1183 C LEU A 76 0.561 7.182 -6.877 1.00 24.30 C ATOM 1184 O LEU A 76 0.282 7.627 -7.983 1.00 54.43 O ATOM 1185 CB LEU A 76 -1.040 7.088 -4.935 1.00 11.22 C ATOM 1186 CG LEU A 76 -2.295 6.468 -4.297 1.00 72.31 C ATOM 1187 CD1 LEU A 76 -2.729 7.270 -3.074 1.00 33.23 C ATOM 1188 CD2 LEU A 76 -3.433 6.382 -5.312 1.00 4.11 C ATOM 0 H LEU A 76 0.232 4.984 -4.622 1.00 12.12 H new ATOM 0 HA LEU A 76 -1.238 6.035 -6.809 1.00 63.50 H new ATOM 0 HB2 LEU A 76 -0.275 7.191 -4.165 1.00 11.22 H new ATOM 0 HB3 LEU A 76 -1.286 8.093 -5.277 1.00 11.22 H new ATOM 0 HG LEU A 76 -2.047 5.457 -3.975 1.00 72.31 H new ATOM 0 HD11 LEU A 76 -3.618 6.815 -2.637 1.00 33.23 H new ATOM 0 HD12 LEU A 76 -1.925 7.275 -2.338 1.00 33.23 H new ATOM 0 HD13 LEU A 76 -2.954 8.294 -3.372 1.00 33.23 H new ATOM 0 HD21 LEU A 76 -4.310 5.941 -4.839 1.00 4.11 H new ATOM 0 HD22 LEU A 76 -3.678 7.382 -5.669 1.00 4.11 H new ATOM 0 HD23 LEU A 76 -3.124 5.762 -6.153 1.00 4.11 H new ATOM 1200 N GLU A 77 1.732 7.418 -6.296 1.00 72.15 N ATOM 1201 CA GLU A 77 2.757 8.253 -6.943 1.00 60.34 C ATOM 1202 C GLU A 77 3.242 7.637 -8.274 1.00 5.13 C ATOM 1203 O GLU A 77 3.714 8.347 -9.160 1.00 20.54 O ATOM 1204 CB GLU A 77 3.950 8.458 -5.992 1.00 60.34 C ATOM 1205 CG GLU A 77 3.603 9.201 -4.701 1.00 53.31 C ATOM 1206 CD GLU A 77 3.261 10.669 -4.928 1.00 3.41 C ATOM 1207 OE1 GLU A 77 2.081 10.983 -5.195 1.00 73.45 O ATOM 1208 OE2 GLU A 77 4.175 11.524 -4.827 1.00 2.02 O ATOM 0 H GLU A 77 2.001 7.049 -5.384 1.00 72.15 H new ATOM 0 HA GLU A 77 2.302 9.217 -7.170 1.00 60.34 H new ATOM 0 HB2 GLU A 77 4.368 7.484 -5.736 1.00 60.34 H new ATOM 0 HB3 GLU A 77 4.728 9.011 -6.518 1.00 60.34 H new ATOM 0 HG2 GLU A 77 2.758 8.707 -4.221 1.00 53.31 H new ATOM 0 HG3 GLU A 77 4.445 9.133 -4.012 1.00 53.31 H new ATOM 1215 N LYS A 78 3.111 6.316 -8.409 1.00 21.22 N ATOM 1216 CA LYS A 78 3.582 5.605 -9.607 1.00 22.43 C ATOM 1217 C LYS A 78 2.470 5.467 -10.672 1.00 53.23 C ATOM 1218 O LYS A 78 2.708 5.686 -11.863 1.00 24.14 O ATOM 1219 CB LYS A 78 4.123 4.219 -9.192 1.00 14.33 C ATOM 1220 CG LYS A 78 4.930 3.480 -10.268 1.00 22.21 C ATOM 1221 CD LYS A 78 4.047 2.751 -11.280 1.00 2.50 C ATOM 1222 CE LYS A 78 4.871 1.957 -12.290 1.00 10.34 C ATOM 1223 NZ LYS A 78 5.769 2.828 -13.098 1.00 14.12 N ATOM 0 H LYS A 78 2.683 5.714 -7.706 1.00 21.22 H new ATOM 0 HA LYS A 78 4.381 6.188 -10.064 1.00 22.43 H new ATOM 0 HB2 LYS A 78 4.752 4.342 -8.310 1.00 14.33 H new ATOM 0 HB3 LYS A 78 3.281 3.592 -8.898 1.00 14.33 H new ATOM 0 HG2 LYS A 78 5.563 4.194 -10.794 1.00 22.21 H new ATOM 0 HG3 LYS A 78 5.593 2.760 -9.787 1.00 22.21 H new ATOM 0 HD2 LYS A 78 3.372 2.077 -10.753 1.00 2.50 H new ATOM 0 HD3 LYS A 78 3.426 3.475 -11.808 1.00 2.50 H new ATOM 0 HE2 LYS A 78 5.468 1.213 -11.763 1.00 10.34 H new ATOM 0 HE3 LYS A 78 4.200 1.414 -12.956 1.00 10.34 H new ATOM 0 HZ1 LYS A 78 6.206 2.267 -13.857 1.00 14.12 H new ATOM 0 HZ2 LYS A 78 5.217 3.604 -13.515 1.00 14.12 H new ATOM 0 HZ3 LYS A 78 6.513 3.222 -12.487 1.00 14.12 H new ATOM 1237 N LEU A 79 1.261 5.099 -10.242 1.00 14.25 N ATOM 1238 CA LEU A 79 0.147 4.833 -11.174 1.00 31.42 C ATOM 1239 C LEU A 79 -0.859 5.998 -11.261 1.00 0.01 C ATOM 1240 O LEU A 79 -1.526 6.166 -12.283 1.00 13.13 O ATOM 1241 CB LEU A 79 -0.588 3.550 -10.755 1.00 70.21 C ATOM 1242 CG LEU A 79 0.244 2.259 -10.834 1.00 33.42 C ATOM 1243 CD1 LEU A 79 -0.557 1.063 -10.322 1.00 64.04 C ATOM 1244 CD2 LEU A 79 0.726 2.015 -12.265 1.00 40.35 C ATOM 0 H LEU A 79 1.022 4.977 -9.258 1.00 14.25 H new ATOM 0 HA LEU A 79 0.587 4.715 -12.164 1.00 31.42 H new ATOM 0 HB2 LEU A 79 -0.942 3.672 -9.731 1.00 70.21 H new ATOM 0 HB3 LEU A 79 -1.469 3.434 -11.386 1.00 70.21 H new ATOM 0 HG LEU A 79 1.118 2.379 -10.194 1.00 33.42 H new ATOM 0 HD11 LEU A 79 0.053 0.162 -10.388 1.00 64.04 H new ATOM 0 HD12 LEU A 79 -0.842 1.233 -9.284 1.00 64.04 H new ATOM 0 HD13 LEU A 79 -1.454 0.939 -10.929 1.00 64.04 H new ATOM 0 HD21 LEU A 79 1.313 1.097 -12.300 1.00 40.35 H new ATOM 0 HD22 LEU A 79 -0.134 1.921 -12.928 1.00 40.35 H new ATOM 0 HD23 LEU A 79 1.344 2.853 -12.589 1.00 40.35 H new ATOM 1256 N PHE A 80 -0.973 6.798 -10.197 1.00 73.24 N ATOM 1257 CA PHE A 80 -1.975 7.883 -10.137 1.00 3.15 C ATOM 1258 C PHE A 80 -1.377 9.215 -9.628 1.00 75.54 C ATOM 1259 O PHE A 80 -1.885 9.797 -8.663 1.00 61.44 O ATOM 1260 CB PHE A 80 -3.136 7.467 -9.213 1.00 60.25 C ATOM 1261 CG PHE A 80 -3.809 6.176 -9.604 1.00 11.55 C ATOM 1262 CD1 PHE A 80 -4.711 6.138 -10.656 1.00 3.43 C ATOM 1263 CD2 PHE A 80 -3.535 5.001 -8.920 1.00 71.53 C ATOM 1264 CE1 PHE A 80 -5.329 4.957 -11.015 1.00 24.24 C ATOM 1265 CE2 PHE A 80 -4.151 3.816 -9.275 1.00 34.11 C ATOM 1266 CZ PHE A 80 -5.046 3.795 -10.326 1.00 71.22 C ATOM 0 H PHE A 80 -0.389 6.721 -9.364 1.00 73.24 H new ATOM 0 HA PHE A 80 -2.331 8.046 -11.154 1.00 3.15 H new ATOM 0 HB2 PHE A 80 -2.758 7.372 -8.195 1.00 60.25 H new ATOM 0 HB3 PHE A 80 -3.881 8.263 -9.204 1.00 60.25 H new ATOM 0 HD1 PHE A 80 -4.933 7.043 -11.201 1.00 3.43 H new ATOM 0 HD2 PHE A 80 -2.832 5.012 -8.100 1.00 71.53 H new ATOM 0 HE1 PHE A 80 -6.033 4.942 -11.834 1.00 24.24 H new ATOM 0 HE2 PHE A 80 -3.933 2.909 -8.732 1.00 34.11 H new ATOM 0 HZ PHE A 80 -5.525 2.869 -10.609 1.00 71.22 H new