USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 606 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 45 THR OG1 : rot 180:sc= 0.598 USER MOD Set 1.2: A 60 SER OG : rot -101:sc= 0.664 USER MOD Set 2.1: A 22 SER OG : rot -60:sc= -0.911! USER MOD Set 2.2: A 49 LYS NZ :NH3+ 145:sc= 0.992 (180deg=-0.0221) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.902 K(o=0.9,f=-0.39) USER MOD Single : A 32 ASN : amide:sc= -0.709 K(o=-0.71,f=-3.6!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.272 USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0661) USER MOD Single : A 46 TYR OH : rot -37:sc= -2.14! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -164:sc= -0.0947 (180deg=-0.502) USER MOD Single : A 58 GLN : amide:sc= -1.76 X(o=-1.8,f=-1.6) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0998 X(o=-0.1,f=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -1.74! C(o=-3!,f=-1.7!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 151:sc= 1.22 (180deg=0.63) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.437 USER MOD ----------------------------------------------------------------- ATOM 281 N LEU A 19 -14.455 -1.408 -3.562 1.00 75.44 N ATOM 282 CA LEU A 19 -13.143 -1.421 -2.908 1.00 62.33 C ATOM 283 C LEU A 19 -13.134 -0.412 -1.754 1.00 43.22 C ATOM 284 O LEU A 19 -13.267 0.792 -1.969 1.00 11.34 O ATOM 285 CB LEU A 19 -12.034 -1.080 -3.917 1.00 0.51 C ATOM 286 CG LEU A 19 -11.895 -2.054 -5.099 1.00 35.11 C ATOM 287 CD1 LEU A 19 -10.815 -1.577 -6.073 1.00 11.21 C ATOM 288 CD2 LEU A 19 -11.587 -3.464 -4.604 1.00 50.01 C ATOM 0 HA LEU A 19 -12.954 -2.420 -2.515 1.00 62.33 H new ATOM 0 HB2 LEU A 19 -12.220 -0.081 -4.311 1.00 0.51 H new ATOM 0 HB3 LEU A 19 -11.083 -1.041 -3.386 1.00 0.51 H new ATOM 0 HG LEU A 19 -12.846 -2.078 -5.631 1.00 35.11 H new ATOM 0 HD11 LEU A 19 -10.735 -2.282 -6.901 1.00 11.21 H new ATOM 0 HD12 LEU A 19 -11.082 -0.593 -6.459 1.00 11.21 H new ATOM 0 HD13 LEU A 19 -9.858 -1.516 -5.554 1.00 11.21 H new ATOM 0 HD21 LEU A 19 -11.493 -4.136 -5.457 1.00 50.01 H new ATOM 0 HD22 LEU A 19 -10.653 -3.457 -4.043 1.00 50.01 H new ATOM 0 HD23 LEU A 19 -12.395 -3.808 -3.958 1.00 50.01 H new ATOM 300 N LYS A 20 -13.000 -0.902 -0.523 1.00 24.44 N ATOM 301 CA LYS A 20 -13.084 -0.029 0.657 1.00 2.22 C ATOM 302 C LYS A 20 -11.855 -0.151 1.573 1.00 25.13 C ATOM 303 O LYS A 20 -11.444 -1.250 1.958 1.00 51.10 O ATOM 304 CB LYS A 20 -14.387 -0.306 1.423 1.00 10.41 C ATOM 305 CG LYS A 20 -15.623 0.212 0.686 1.00 40.13 C ATOM 306 CD LYS A 20 -16.931 -0.224 1.339 1.00 24.42 C ATOM 307 CE LYS A 20 -17.179 -1.723 1.182 1.00 61.14 C ATOM 308 NZ LYS A 20 -18.569 -2.092 1.553 1.00 51.35 N ATOM 0 H LYS A 20 -12.835 -1.886 -0.313 1.00 24.44 H new ATOM 0 HA LYS A 20 -13.094 1.002 0.305 1.00 2.22 H new ATOM 0 HB2 LYS A 20 -14.488 -1.379 1.585 1.00 10.41 H new ATOM 0 HB3 LYS A 20 -14.332 0.161 2.406 1.00 10.41 H new ATOM 0 HG2 LYS A 20 -15.587 1.301 0.648 1.00 40.13 H new ATOM 0 HG3 LYS A 20 -15.601 -0.144 -0.344 1.00 40.13 H new ATOM 0 HD2 LYS A 20 -16.909 0.031 2.399 1.00 24.42 H new ATOM 0 HD3 LYS A 20 -17.759 0.329 0.895 1.00 24.42 H new ATOM 0 HE2 LYS A 20 -16.988 -2.017 0.150 1.00 61.14 H new ATOM 0 HE3 LYS A 20 -16.477 -2.275 1.807 1.00 61.14 H new ATOM 0 HZ1 LYS A 20 -18.700 -3.117 1.434 1.00 51.35 H new ATOM 0 HZ2 LYS A 20 -18.744 -1.834 2.545 1.00 51.35 H new ATOM 0 HZ3 LYS A 20 -19.238 -1.584 0.940 1.00 51.35 H new ATOM 322 N PHE A 21 -11.280 1.004 1.913 1.00 42.51 N ATOM 323 CA PHE A 21 -10.061 1.087 2.727 1.00 55.20 C ATOM 324 C PHE A 21 -10.292 0.624 4.174 1.00 12.22 C ATOM 325 O PHE A 21 -11.310 0.950 4.785 1.00 23.35 O ATOM 326 CB PHE A 21 -9.546 2.536 2.715 1.00 45.33 C ATOM 327 CG PHE A 21 -8.269 2.755 3.491 1.00 22.20 C ATOM 328 CD1 PHE A 21 -7.040 2.421 2.940 1.00 14.34 C ATOM 329 CD2 PHE A 21 -8.298 3.299 4.770 1.00 50.45 C ATOM 330 CE1 PHE A 21 -5.872 2.624 3.646 1.00 20.23 C ATOM 331 CE2 PHE A 21 -7.128 3.503 5.477 1.00 53.15 C ATOM 332 CZ PHE A 21 -5.915 3.166 4.914 1.00 73.41 C ATOM 0 H PHE A 21 -11.647 1.913 1.631 1.00 42.51 H new ATOM 0 HA PHE A 21 -9.320 0.416 2.292 1.00 55.20 H new ATOM 0 HB2 PHE A 21 -9.385 2.842 1.681 1.00 45.33 H new ATOM 0 HB3 PHE A 21 -10.320 3.186 3.123 1.00 45.33 H new ATOM 0 HD1 PHE A 21 -6.997 1.997 1.947 1.00 14.34 H new ATOM 0 HD2 PHE A 21 -9.245 3.565 5.216 1.00 50.45 H new ATOM 0 HE1 PHE A 21 -4.923 2.358 3.205 1.00 20.23 H new ATOM 0 HE2 PHE A 21 -7.164 3.926 6.470 1.00 53.15 H new ATOM 0 HZ PHE A 21 -5.000 3.326 5.465 1.00 73.41 H new ATOM 342 N SER A 22 -9.343 -0.137 4.722 1.00 44.54 N ATOM 343 CA SER A 22 -9.432 -0.592 6.119 1.00 20.20 C ATOM 344 C SER A 22 -8.337 0.032 6.995 1.00 12.24 C ATOM 345 O SER A 22 -8.628 0.795 7.914 1.00 22.15 O ATOM 346 CB SER A 22 -9.331 -2.121 6.198 1.00 3.33 C ATOM 347 OG SER A 22 -10.383 -2.749 5.484 1.00 53.25 O ATOM 0 H SER A 22 -8.508 -0.452 4.228 1.00 44.54 H new ATOM 0 HA SER A 22 -10.402 -0.268 6.496 1.00 20.20 H new ATOM 0 HB2 SER A 22 -8.372 -2.445 5.794 1.00 3.33 H new ATOM 0 HB3 SER A 22 -9.360 -2.435 7.241 1.00 3.33 H new ATOM 0 HG SER A 22 -11.244 -2.477 5.864 1.00 53.25 H new ATOM 353 N ALA A 23 -7.075 -0.295 6.709 1.00 65.24 N ATOM 354 CA ALA A 23 -5.951 0.206 7.508 1.00 22.25 C ATOM 355 C ALA A 23 -4.615 0.119 6.757 1.00 15.21 C ATOM 356 O ALA A 23 -4.517 -0.498 5.691 1.00 11.44 O ATOM 357 CB ALA A 23 -5.865 -0.561 8.827 1.00 74.31 C ATOM 0 H ALA A 23 -6.805 -0.901 5.934 1.00 65.24 H new ATOM 0 HA ALA A 23 -6.139 1.261 7.708 1.00 22.25 H new ATOM 0 HB1 ALA A 23 -5.028 -0.183 9.414 1.00 74.31 H new ATOM 0 HB2 ALA A 23 -6.791 -0.427 9.387 1.00 74.31 H new ATOM 0 HB3 ALA A 23 -5.715 -1.621 8.622 1.00 74.31 H new ATOM 363 N LEU A 24 -3.595 0.760 7.323 1.00 24.24 N ATOM 364 CA LEU A 24 -2.221 0.653 6.829 1.00 5.51 C ATOM 365 C LEU A 24 -1.564 -0.635 7.355 1.00 44.44 C ATOM 366 O LEU A 24 -1.319 -0.770 8.558 1.00 0.33 O ATOM 367 CB LEU A 24 -1.412 1.883 7.277 1.00 70.13 C ATOM 368 CG LEU A 24 0.088 1.866 6.925 1.00 25.43 C ATOM 369 CD1 LEU A 24 0.299 1.844 5.415 1.00 60.53 C ATOM 370 CD2 LEU A 24 0.803 3.062 7.555 1.00 12.22 C ATOM 0 H LEU A 24 -3.696 1.368 8.136 1.00 24.24 H new ATOM 0 HA LEU A 24 -2.237 0.613 5.740 1.00 5.51 H new ATOM 0 HB2 LEU A 24 -1.860 2.771 6.831 1.00 70.13 H new ATOM 0 HB3 LEU A 24 -1.511 1.985 8.358 1.00 70.13 H new ATOM 0 HG LEU A 24 0.519 0.953 7.335 1.00 25.43 H new ATOM 0 HD11 LEU A 24 1.367 1.832 5.197 1.00 60.53 H new ATOM 0 HD12 LEU A 24 -0.167 0.952 4.995 1.00 60.53 H new ATOM 0 HD13 LEU A 24 -0.152 2.732 4.972 1.00 60.53 H new ATOM 0 HD21 LEU A 24 1.861 3.032 7.295 1.00 12.22 H new ATOM 0 HD22 LEU A 24 0.364 3.987 7.181 1.00 12.22 H new ATOM 0 HD23 LEU A 24 0.695 3.021 8.639 1.00 12.22 H new ATOM 382 N ARG A 25 -1.294 -1.576 6.455 1.00 23.14 N ATOM 383 CA ARG A 25 -0.679 -2.853 6.831 1.00 1.11 C ATOM 384 C ARG A 25 0.777 -2.660 7.288 1.00 1.13 C ATOM 385 O ARG A 25 1.162 -3.101 8.373 1.00 14.13 O ATOM 386 CB ARG A 25 -0.740 -3.834 5.648 1.00 61.35 C ATOM 387 CG ARG A 25 -0.049 -5.177 5.899 1.00 11.43 C ATOM 388 CD ARG A 25 -0.761 -6.015 6.958 1.00 42.33 C ATOM 389 NE ARG A 25 -2.102 -6.418 6.535 1.00 53.22 N ATOM 390 CZ ARG A 25 -2.450 -7.643 6.241 1.00 41.42 C ATOM 391 NH1 ARG A 25 -1.585 -8.605 6.258 1.00 53.30 N ATOM 392 NH2 ARG A 25 -3.671 -7.901 5.917 1.00 53.35 N ATOM 0 H ARG A 25 -1.490 -1.482 5.458 1.00 23.14 H new ATOM 0 HA ARG A 25 -1.240 -3.266 7.669 1.00 1.11 H new ATOM 0 HB2 ARG A 25 -1.785 -4.019 5.399 1.00 61.35 H new ATOM 0 HB3 ARG A 25 -0.284 -3.362 4.778 1.00 61.35 H new ATOM 0 HG2 ARG A 25 -0.005 -5.739 4.966 1.00 11.43 H new ATOM 0 HG3 ARG A 25 0.980 -4.999 6.213 1.00 11.43 H new ATOM 0 HD2 ARG A 25 -0.168 -6.904 7.175 1.00 42.33 H new ATOM 0 HD3 ARG A 25 -0.830 -5.444 7.884 1.00 42.33 H new ATOM 0 HE ARG A 25 -2.815 -5.692 6.465 1.00 53.22 H new ATOM 0 HH11 ARG A 25 -0.614 -8.413 6.504 1.00 53.30 H new ATOM 0 HH12 ARG A 25 -1.874 -9.555 6.026 1.00 53.30 H new ATOM 0 HH21 ARG A 25 -4.361 -7.150 5.891 1.00 53.35 H new ATOM 0 HH22 ARG A 25 -3.947 -8.856 5.687 1.00 53.35 H new ATOM 406 N ARG A 26 1.581 -1.993 6.458 1.00 1.13 N ATOM 407 CA ARG A 26 3.001 -1.779 6.766 1.00 63.30 C ATOM 408 C ARG A 26 3.690 -0.897 5.720 1.00 11.42 C ATOM 409 O ARG A 26 3.518 -1.095 4.522 1.00 1.45 O ATOM 410 CB ARG A 26 3.750 -3.123 6.839 1.00 43.25 C ATOM 411 CG ARG A 26 5.256 -2.973 7.050 1.00 55.12 C ATOM 412 CD ARG A 26 5.992 -4.305 6.946 1.00 22.15 C ATOM 413 NE ARG A 26 5.519 -5.281 7.922 1.00 64.23 N ATOM 414 CZ ARG A 26 6.265 -6.211 8.451 1.00 22.44 C ATOM 415 NH1 ARG A 26 7.524 -6.296 8.162 1.00 32.12 N ATOM 416 NH2 ARG A 26 5.747 -7.056 9.274 1.00 25.53 N ATOM 0 H ARG A 26 1.277 -1.592 5.571 1.00 1.13 H new ATOM 0 HA ARG A 26 3.036 -1.274 7.731 1.00 63.30 H new ATOM 0 HB2 ARG A 26 3.335 -3.717 7.653 1.00 43.25 H new ATOM 0 HB3 ARG A 26 3.574 -3.678 5.918 1.00 43.25 H new ATOM 0 HG2 ARG A 26 5.657 -2.280 6.310 1.00 55.12 H new ATOM 0 HG3 ARG A 26 5.441 -2.534 8.030 1.00 55.12 H new ATOM 0 HD2 ARG A 26 5.865 -4.709 5.942 1.00 22.15 H new ATOM 0 HD3 ARG A 26 7.060 -4.139 7.091 1.00 22.15 H new ATOM 0 HE ARG A 26 4.541 -5.233 8.209 1.00 64.23 H new ATOM 0 HH11 ARG A 26 7.944 -5.631 7.513 1.00 32.12 H new ATOM 0 HH12 ARG A 26 8.096 -7.028 8.583 1.00 32.12 H new ATOM 0 HH21 ARG A 26 4.756 -6.996 9.510 1.00 25.53 H new ATOM 0 HH22 ARG A 26 6.327 -7.785 9.690 1.00 25.53 H new ATOM 430 N GLU A 27 4.479 0.068 6.180 1.00 73.45 N ATOM 431 CA GLU A 27 5.366 0.825 5.293 1.00 41.24 C ATOM 432 C GLU A 27 6.755 0.174 5.264 1.00 32.20 C ATOM 433 O GLU A 27 7.562 0.378 6.174 1.00 14.52 O ATOM 434 CB GLU A 27 5.498 2.280 5.762 1.00 41.21 C ATOM 435 CG GLU A 27 4.173 3.011 5.932 1.00 21.14 C ATOM 436 CD GLU A 27 4.356 4.402 6.518 1.00 15.11 C ATOM 437 OE1 GLU A 27 4.603 4.504 7.742 1.00 3.34 O ATOM 438 OE2 GLU A 27 4.275 5.393 5.758 1.00 73.33 O ATOM 0 H GLU A 27 4.525 0.347 7.160 1.00 73.45 H new ATOM 0 HA GLU A 27 4.933 0.817 4.293 1.00 41.24 H new ATOM 0 HB2 GLU A 27 6.031 2.295 6.712 1.00 41.21 H new ATOM 0 HB3 GLU A 27 6.110 2.826 5.044 1.00 41.21 H new ATOM 0 HG2 GLU A 27 3.676 3.088 4.965 1.00 21.14 H new ATOM 0 HG3 GLU A 27 3.519 2.428 6.581 1.00 21.14 H new ATOM 445 N VAL A 28 7.025 -0.629 4.240 1.00 72.04 N ATOM 446 CA VAL A 28 8.314 -1.314 4.132 1.00 0.02 C ATOM 447 C VAL A 28 9.435 -0.316 3.813 1.00 1.23 C ATOM 448 O VAL A 28 9.326 0.483 2.883 1.00 44.04 O ATOM 449 CB VAL A 28 8.288 -2.444 3.069 1.00 62.02 C ATOM 450 CG1 VAL A 28 7.289 -3.533 3.464 1.00 2.41 C ATOM 451 CG2 VAL A 28 7.964 -1.896 1.680 1.00 54.24 C ATOM 0 H VAL A 28 6.376 -0.822 3.477 1.00 72.04 H new ATOM 0 HA VAL A 28 8.511 -1.775 5.100 1.00 0.02 H new ATOM 0 HB VAL A 28 9.284 -2.884 3.029 1.00 62.02 H new ATOM 0 HG11 VAL A 28 7.286 -4.316 2.706 1.00 2.41 H new ATOM 0 HG12 VAL A 28 7.577 -3.959 4.425 1.00 2.41 H new ATOM 0 HG13 VAL A 28 6.292 -3.100 3.543 1.00 2.41 H new ATOM 0 HG21 VAL A 28 7.954 -2.714 0.959 1.00 54.24 H new ATOM 0 HG22 VAL A 28 6.986 -1.416 1.697 1.00 54.24 H new ATOM 0 HG23 VAL A 28 8.721 -1.167 1.391 1.00 54.24 H new ATOM 461 N ARG A 29 10.501 -0.347 4.603 1.00 61.24 N ATOM 462 CA ARG A 29 11.597 0.612 4.464 1.00 1.40 C ATOM 463 C ARG A 29 12.809 0.028 3.720 1.00 31.11 C ATOM 464 O ARG A 29 12.904 -1.179 3.489 1.00 5.13 O ATOM 465 CB ARG A 29 12.017 1.135 5.844 1.00 4.14 C ATOM 466 CG ARG A 29 11.020 2.126 6.442 1.00 12.01 C ATOM 467 CD ARG A 29 11.508 2.700 7.765 1.00 35.33 C ATOM 468 NE ARG A 29 10.813 3.938 8.118 1.00 12.52 N ATOM 469 CZ ARG A 29 10.537 4.301 9.339 1.00 54.31 C ATOM 470 NH1 ARG A 29 10.807 3.518 10.334 1.00 73.35 N ATOM 471 NH2 ARG A 29 9.986 5.449 9.560 1.00 2.24 N ATOM 0 H ARG A 29 10.633 -1.028 5.351 1.00 61.24 H new ATOM 0 HA ARG A 29 11.225 1.438 3.857 1.00 1.40 H new ATOM 0 HB2 ARG A 29 12.134 0.292 6.525 1.00 4.14 H new ATOM 0 HB3 ARG A 29 12.992 1.616 5.762 1.00 4.14 H new ATOM 0 HG2 ARG A 29 10.849 2.938 5.736 1.00 12.01 H new ATOM 0 HG3 ARG A 29 10.062 1.629 6.594 1.00 12.01 H new ATOM 0 HD2 ARG A 29 11.360 1.964 8.555 1.00 35.33 H new ATOM 0 HD3 ARG A 29 12.579 2.891 7.703 1.00 35.33 H new ATOM 0 HE ARG A 29 10.526 4.557 7.360 1.00 12.52 H new ATOM 0 HH11 ARG A 29 11.239 2.609 10.165 1.00 73.35 H new ATOM 0 HH12 ARG A 29 10.588 3.810 11.287 1.00 73.35 H new ATOM 0 HH21 ARG A 29 9.768 6.069 8.780 1.00 2.24 H new ATOM 0 HH22 ARG A 29 9.769 5.735 10.515 1.00 2.24 H new ATOM 485 N ILE A 30 13.735 0.914 3.356 1.00 5.02 N ATOM 486 CA ILE A 30 14.933 0.537 2.607 1.00 3.21 C ATOM 487 C ILE A 30 15.938 -0.200 3.505 1.00 2.22 C ATOM 488 O ILE A 30 16.498 0.378 4.437 1.00 41.31 O ATOM 489 CB ILE A 30 15.611 1.794 1.997 1.00 50.45 C ATOM 490 CG1 ILE A 30 14.595 2.580 1.147 1.00 15.05 C ATOM 491 CG2 ILE A 30 16.836 1.404 1.166 1.00 43.33 C ATOM 492 CD1 ILE A 30 15.115 3.902 0.615 1.00 71.40 C ATOM 0 H ILE A 30 13.677 1.909 3.571 1.00 5.02 H new ATOM 0 HA ILE A 30 14.623 -0.133 1.805 1.00 3.21 H new ATOM 0 HB ILE A 30 15.953 2.435 2.809 1.00 50.45 H new ATOM 0 HG12 ILE A 30 14.286 1.960 0.306 1.00 15.05 H new ATOM 0 HG13 ILE A 30 13.705 2.768 1.748 1.00 15.05 H new ATOM 0 HG21 ILE A 30 17.294 2.301 0.749 1.00 43.33 H new ATOM 0 HG22 ILE A 30 17.558 0.890 1.801 1.00 43.33 H new ATOM 0 HG23 ILE A 30 16.530 0.743 0.355 1.00 43.33 H new ATOM 0 HD11 ILE A 30 14.337 4.389 0.028 1.00 71.40 H new ATOM 0 HD12 ILE A 30 15.396 4.545 1.449 1.00 71.40 H new ATOM 0 HD13 ILE A 30 15.986 3.723 -0.015 1.00 71.40 H new ATOM 504 N GLN A 31 16.143 -1.485 3.236 1.00 23.24 N ATOM 505 CA GLN A 31 17.088 -2.294 4.007 1.00 54.11 C ATOM 506 C GLN A 31 18.517 -2.143 3.463 1.00 53.31 C ATOM 507 O GLN A 31 18.807 -2.534 2.331 1.00 73.33 O ATOM 508 CB GLN A 31 16.654 -3.769 3.992 1.00 53.43 C ATOM 509 CG GLN A 31 17.536 -4.691 4.829 1.00 42.44 C ATOM 510 CD GLN A 31 16.992 -6.110 4.912 1.00 1.31 C ATOM 511 OE1 GLN A 31 16.324 -6.592 4.003 1.00 44.14 O ATOM 512 NE2 GLN A 31 17.273 -6.788 6.004 1.00 52.42 N ATOM 0 H GLN A 31 15.668 -1.992 2.489 1.00 23.24 H new ATOM 0 HA GLN A 31 17.086 -1.937 5.037 1.00 54.11 H new ATOM 0 HB2 GLN A 31 15.629 -3.838 4.355 1.00 53.43 H new ATOM 0 HB3 GLN A 31 16.651 -4.125 2.962 1.00 53.43 H new ATOM 0 HG2 GLN A 31 18.538 -4.715 4.401 1.00 42.44 H new ATOM 0 HG3 GLN A 31 17.629 -4.283 5.835 1.00 42.44 H new ATOM 0 HE21 GLN A 31 17.831 -6.358 6.742 1.00 52.42 H new ATOM 0 HE22 GLN A 31 16.933 -7.743 6.113 1.00 52.42 H new ATOM 521 N ASN A 32 19.400 -1.569 4.280 1.00 14.33 N ATOM 522 CA ASN A 32 20.798 -1.338 3.893 1.00 13.35 C ATOM 523 C ASN A 32 21.477 -2.645 3.455 1.00 52.42 C ATOM 524 O ASN A 32 21.206 -3.709 4.010 1.00 21.12 O ATOM 525 CB ASN A 32 21.576 -0.726 5.066 1.00 51.43 C ATOM 526 CG ASN A 32 20.958 0.571 5.566 1.00 1.51 C ATOM 527 OD1 ASN A 32 20.368 1.325 4.808 1.00 5.34 O ATOM 528 ND2 ASN A 32 21.081 0.834 6.851 1.00 20.35 N ATOM 0 H ASN A 32 19.172 -1.252 5.222 1.00 14.33 H new ATOM 0 HA ASN A 32 20.801 -0.647 3.050 1.00 13.35 H new ATOM 0 HB2 ASN A 32 21.616 -1.444 5.885 1.00 51.43 H new ATOM 0 HB3 ASN A 32 22.604 -0.538 4.757 1.00 51.43 H new ATOM 0 HD21 ASN A 32 20.677 1.687 7.238 1.00 20.35 H new ATOM 0 HD22 ASN A 32 21.580 0.184 7.459 1.00 20.35 H new ATOM 535 N GLU A 33 22.371 -2.551 2.471 1.00 42.30 N ATOM 536 CA GLU A 33 23.082 -3.725 1.939 1.00 4.13 C ATOM 537 C GLU A 33 23.825 -4.509 3.039 1.00 31.41 C ATOM 538 O GLU A 33 24.099 -5.702 2.891 1.00 55.45 O ATOM 539 CB GLU A 33 24.057 -3.284 0.837 1.00 60.12 C ATOM 540 CG GLU A 33 25.083 -2.242 1.283 1.00 20.32 C ATOM 541 CD GLU A 33 25.852 -1.648 0.113 1.00 3.41 C ATOM 542 OE1 GLU A 33 25.369 -0.653 -0.475 1.00 4.42 O ATOM 543 OE2 GLU A 33 26.923 -2.178 -0.243 1.00 32.11 O ATOM 0 H GLU A 33 22.625 -1.672 2.021 1.00 42.30 H new ATOM 0 HA GLU A 33 22.338 -4.402 1.519 1.00 4.13 H new ATOM 0 HB2 GLU A 33 24.586 -4.161 0.464 1.00 60.12 H new ATOM 0 HB3 GLU A 33 23.484 -2.879 0.003 1.00 60.12 H new ATOM 0 HG2 GLU A 33 24.575 -1.443 1.823 1.00 20.32 H new ATOM 0 HG3 GLU A 33 25.784 -2.701 1.980 1.00 20.32 H new ATOM 550 N ASP A 34 24.153 -3.825 4.136 1.00 10.01 N ATOM 551 CA ASP A 34 24.734 -4.468 5.320 1.00 74.14 C ATOM 552 C ASP A 34 23.816 -5.576 5.870 1.00 42.42 C ATOM 553 O ASP A 34 24.284 -6.621 6.322 1.00 35.24 O ATOM 554 CB ASP A 34 24.977 -3.425 6.412 1.00 23.43 C ATOM 555 CG ASP A 34 25.915 -2.322 5.963 1.00 43.22 C ATOM 556 OD1 ASP A 34 25.453 -1.390 5.276 1.00 74.40 O ATOM 557 OD2 ASP A 34 27.117 -2.383 6.304 1.00 53.43 O ATOM 0 H ASP A 34 24.026 -2.817 4.231 1.00 10.01 H new ATOM 0 HA ASP A 34 25.678 -4.922 5.021 1.00 74.14 H new ATOM 0 HB2 ASP A 34 24.024 -2.988 6.711 1.00 23.43 H new ATOM 0 HB3 ASP A 34 25.393 -3.915 7.292 1.00 23.43 H new ATOM 562 N GLY A 35 22.507 -5.332 5.826 1.00 53.31 N ATOM 563 CA GLY A 35 21.539 -6.282 6.365 1.00 24.53 C ATOM 564 C GLY A 35 20.532 -5.637 7.317 1.00 33.55 C ATOM 565 O GLY A 35 19.486 -6.216 7.611 1.00 14.13 O ATOM 0 H GLY A 35 22.096 -4.489 5.425 1.00 53.31 H new ATOM 0 HA2 GLY A 35 21.002 -6.751 5.541 1.00 24.53 H new ATOM 0 HA3 GLY A 35 22.071 -7.075 6.891 1.00 24.53 H new ATOM 569 N SER A 36 20.846 -4.443 7.810 1.00 61.04 N ATOM 570 CA SER A 36 19.951 -3.719 8.728 1.00 14.44 C ATOM 571 C SER A 36 19.050 -2.725 7.979 1.00 74.33 C ATOM 572 O SER A 36 19.441 -2.168 6.955 1.00 63.30 O ATOM 573 CB SER A 36 20.771 -2.980 9.793 1.00 55.34 C ATOM 574 OG SER A 36 21.569 -3.887 10.546 1.00 61.12 O ATOM 0 H SER A 36 21.712 -3.950 7.593 1.00 61.04 H new ATOM 0 HA SER A 36 19.308 -4.456 9.210 1.00 14.44 H new ATOM 0 HB2 SER A 36 21.411 -2.239 9.314 1.00 55.34 H new ATOM 0 HB3 SER A 36 20.101 -2.439 10.461 1.00 55.34 H new ATOM 0 HG SER A 36 22.083 -3.391 11.217 1.00 61.12 H new ATOM 580 N VAL A 37 17.845 -2.502 8.501 1.00 53.53 N ATOM 581 CA VAL A 37 16.868 -1.620 7.850 1.00 41.31 C ATOM 582 C VAL A 37 17.128 -0.138 8.178 1.00 71.42 C ATOM 583 O VAL A 37 17.537 0.203 9.290 1.00 25.33 O ATOM 584 CB VAL A 37 15.423 -1.993 8.265 1.00 53.40 C ATOM 585 CG1 VAL A 37 14.395 -1.175 7.482 1.00 51.45 C ATOM 586 CG2 VAL A 37 15.188 -3.491 8.081 1.00 33.44 C ATOM 0 H VAL A 37 17.518 -2.918 9.373 1.00 53.53 H new ATOM 0 HA VAL A 37 16.983 -1.761 6.775 1.00 41.31 H new ATOM 0 HB VAL A 37 15.298 -1.753 9.321 1.00 53.40 H new ATOM 0 HG11 VAL A 37 13.390 -1.459 7.795 1.00 51.45 H new ATOM 0 HG12 VAL A 37 14.550 -0.114 7.677 1.00 51.45 H new ATOM 0 HG13 VAL A 37 14.512 -1.369 6.416 1.00 51.45 H new ATOM 0 HG21 VAL A 37 14.168 -3.738 8.377 1.00 33.44 H new ATOM 0 HG22 VAL A 37 15.337 -3.757 7.034 1.00 33.44 H new ATOM 0 HG23 VAL A 37 15.891 -4.048 8.700 1.00 33.44 H new ATOM 596 N SER A 38 16.898 0.735 7.200 1.00 12.34 N ATOM 597 CA SER A 38 17.088 2.183 7.375 1.00 41.22 C ATOM 598 C SER A 38 15.781 2.885 7.778 1.00 41.13 C ATOM 599 O SER A 38 14.731 2.253 7.895 1.00 50.10 O ATOM 600 CB SER A 38 17.622 2.813 6.080 1.00 52.14 C ATOM 601 OG SER A 38 17.807 4.214 6.229 1.00 25.12 O ATOM 0 H SER A 38 16.577 0.467 6.269 1.00 12.34 H new ATOM 0 HA SER A 38 17.813 2.318 8.178 1.00 41.22 H new ATOM 0 HB2 SER A 38 18.568 2.345 5.808 1.00 52.14 H new ATOM 0 HB3 SER A 38 16.925 2.620 5.264 1.00 52.14 H new ATOM 0 HG SER A 38 18.149 4.590 5.391 1.00 25.12 H new ATOM 607 N ASP A 39 15.856 4.199 7.984 1.00 54.41 N ATOM 608 CA ASP A 39 14.678 5.006 8.319 1.00 24.32 C ATOM 609 C ASP A 39 13.922 5.444 7.052 1.00 44.41 C ATOM 610 O ASP A 39 12.738 5.779 7.107 1.00 64.45 O ATOM 611 CB ASP A 39 15.095 6.235 9.128 1.00 1.35 C ATOM 612 CG ASP A 39 15.722 5.865 10.456 1.00 61.04 C ATOM 613 OD1 ASP A 39 14.973 5.607 11.422 1.00 45.03 O ATOM 614 OD2 ASP A 39 16.969 5.826 10.538 1.00 63.50 O ATOM 0 H ASP A 39 16.724 4.732 7.925 1.00 54.41 H new ATOM 0 HA ASP A 39 14.008 4.389 8.918 1.00 24.32 H new ATOM 0 HB2 ASP A 39 15.803 6.826 8.547 1.00 1.35 H new ATOM 0 HB3 ASP A 39 14.223 6.864 9.304 1.00 1.35 H new ATOM 619 N GLU A 40 14.617 5.442 5.915 1.00 64.14 N ATOM 620 CA GLU A 40 14.004 5.802 4.631 1.00 11.01 C ATOM 621 C GLU A 40 13.008 4.724 4.181 1.00 42.32 C ATOM 622 O GLU A 40 13.290 3.531 4.276 1.00 3.30 O ATOM 623 CB GLU A 40 15.089 6.001 3.561 1.00 22.31 C ATOM 624 CG GLU A 40 16.110 7.077 3.907 1.00 64.13 C ATOM 625 CD GLU A 40 17.120 7.310 2.792 1.00 74.24 C ATOM 626 OE1 GLU A 40 18.161 6.619 2.763 1.00 74.35 O ATOM 627 OE2 GLU A 40 16.880 8.192 1.940 1.00 45.13 O ATOM 0 H GLU A 40 15.605 5.196 5.854 1.00 64.14 H new ATOM 0 HA GLU A 40 13.461 6.738 4.762 1.00 11.01 H new ATOM 0 HB2 GLU A 40 15.610 5.056 3.407 1.00 22.31 H new ATOM 0 HB3 GLU A 40 14.610 6.259 2.616 1.00 22.31 H new ATOM 0 HG2 GLU A 40 15.589 8.010 4.121 1.00 64.13 H new ATOM 0 HG3 GLU A 40 16.639 6.791 4.816 1.00 64.13 H new ATOM 634 N ILE A 41 11.847 5.145 3.688 1.00 40.41 N ATOM 635 CA ILE A 41 10.785 4.206 3.311 1.00 72.54 C ATOM 636 C ILE A 41 10.899 3.774 1.843 1.00 41.30 C ATOM 637 O ILE A 41 11.294 4.552 0.976 1.00 2.14 O ATOM 638 CB ILE A 41 9.374 4.804 3.570 1.00 74.23 C ATOM 639 CG1 ILE A 41 9.217 5.176 5.055 1.00 60.15 C ATOM 640 CG2 ILE A 41 8.278 3.824 3.142 1.00 31.13 C ATOM 641 CD1 ILE A 41 7.844 5.708 5.413 1.00 22.21 C ATOM 0 H ILE A 41 11.614 6.127 3.539 1.00 40.41 H new ATOM 0 HA ILE A 41 10.915 3.326 3.942 1.00 72.54 H new ATOM 0 HB ILE A 41 9.270 5.708 2.971 1.00 74.23 H new ATOM 0 HG12 ILE A 41 9.425 4.296 5.664 1.00 60.15 H new ATOM 0 HG13 ILE A 41 9.965 5.926 5.313 1.00 60.15 H new ATOM 0 HG21 ILE A 41 7.300 4.266 3.333 1.00 31.13 H new ATOM 0 HG22 ILE A 41 8.377 3.609 2.078 1.00 31.13 H new ATOM 0 HG23 ILE A 41 8.376 2.899 3.710 1.00 31.13 H new ATOM 0 HD11 ILE A 41 7.812 5.947 6.476 1.00 22.21 H new ATOM 0 HD12 ILE A 41 7.639 6.607 4.832 1.00 22.21 H new ATOM 0 HD13 ILE A 41 7.091 4.952 5.189 1.00 22.21 H new ATOM 653 N LYS A 42 10.552 2.517 1.585 1.00 21.33 N ATOM 654 CA LYS A 42 10.586 1.946 0.236 1.00 1.11 C ATOM 655 C LYS A 42 9.185 1.974 -0.409 1.00 21.32 C ATOM 656 O LYS A 42 8.983 2.594 -1.455 1.00 24.40 O ATOM 657 CB LYS A 42 11.105 0.501 0.330 1.00 32.44 C ATOM 658 CG LYS A 42 11.308 -0.202 -1.008 1.00 42.43 C ATOM 659 CD LYS A 42 12.422 0.438 -1.833 1.00 32.20 C ATOM 660 CE LYS A 42 12.769 -0.409 -3.055 1.00 34.15 C ATOM 661 NZ LYS A 42 11.590 -0.643 -3.927 1.00 22.22 N ATOM 0 H LYS A 42 10.239 1.863 2.302 1.00 21.33 H new ATOM 0 HA LYS A 42 11.249 2.539 -0.393 1.00 1.11 H new ATOM 0 HB2 LYS A 42 12.053 0.506 0.868 1.00 32.44 H new ATOM 0 HB3 LYS A 42 10.404 -0.082 0.927 1.00 32.44 H new ATOM 0 HG2 LYS A 42 11.545 -1.251 -0.833 1.00 42.43 H new ATOM 0 HG3 LYS A 42 10.377 -0.176 -1.575 1.00 42.43 H new ATOM 0 HD2 LYS A 42 12.113 1.433 -2.154 1.00 32.20 H new ATOM 0 HD3 LYS A 42 13.309 0.564 -1.213 1.00 32.20 H new ATOM 0 HE2 LYS A 42 13.551 0.088 -3.629 1.00 34.15 H new ATOM 0 HE3 LYS A 42 13.173 -1.367 -2.728 1.00 34.15 H new ATOM 0 HZ1 LYS A 42 11.896 -1.104 -4.808 1.00 22.22 H new ATOM 0 HZ2 LYS A 42 10.910 -1.256 -3.434 1.00 22.22 H new ATOM 0 HZ3 LYS A 42 11.138 0.266 -4.151 1.00 22.22 H new ATOM 675 N GLU A 43 8.216 1.313 0.238 1.00 71.13 N ATOM 676 CA GLU A 43 6.825 1.265 -0.248 1.00 40.03 C ATOM 677 C GLU A 43 5.825 1.238 0.930 1.00 72.14 C ATOM 678 O GLU A 43 6.212 1.070 2.086 1.00 71.22 O ATOM 679 CB GLU A 43 6.606 0.036 -1.152 1.00 1.11 C ATOM 680 CG GLU A 43 7.583 -0.048 -2.322 1.00 74.52 C ATOM 681 CD GLU A 43 7.255 -1.151 -3.318 1.00 75.42 C ATOM 682 OE1 GLU A 43 7.555 -2.328 -3.027 1.00 4.53 O ATOM 683 OE2 GLU A 43 6.728 -0.842 -4.407 1.00 75.04 O ATOM 0 H GLU A 43 8.369 0.800 1.106 1.00 71.13 H new ATOM 0 HA GLU A 43 6.647 2.168 -0.832 1.00 40.03 H new ATOM 0 HB2 GLU A 43 6.696 -0.868 -0.549 1.00 1.11 H new ATOM 0 HB3 GLU A 43 5.588 0.059 -1.541 1.00 1.11 H new ATOM 0 HG2 GLU A 43 7.593 0.909 -2.844 1.00 74.52 H new ATOM 0 HG3 GLU A 43 8.588 -0.210 -1.933 1.00 74.52 H new ATOM 690 N ARG A 44 4.537 1.397 0.624 1.00 24.43 N ATOM 691 CA ARG A 44 3.475 1.446 1.644 1.00 0.54 C ATOM 692 C ARG A 44 2.343 0.451 1.324 1.00 45.45 C ATOM 693 O ARG A 44 1.685 0.561 0.291 1.00 53.21 O ATOM 694 CB ARG A 44 2.901 2.870 1.738 1.00 34.01 C ATOM 695 CG ARG A 44 3.883 3.900 2.289 1.00 31.23 C ATOM 696 CD ARG A 44 3.327 5.319 2.199 1.00 51.42 C ATOM 697 NE ARG A 44 4.151 6.278 2.937 1.00 40.02 N ATOM 698 CZ ARG A 44 4.665 7.368 2.424 1.00 4.42 C ATOM 699 NH1 ARG A 44 4.498 7.660 1.174 1.00 42.32 N ATOM 700 NH2 ARG A 44 5.359 8.163 3.171 1.00 32.23 N ATOM 0 H ARG A 44 4.196 1.496 -0.332 1.00 24.43 H new ATOM 0 HA ARG A 44 3.916 1.165 2.600 1.00 0.54 H new ATOM 0 HB2 ARG A 44 2.577 3.186 0.746 1.00 34.01 H new ATOM 0 HB3 ARG A 44 2.015 2.852 2.372 1.00 34.01 H new ATOM 0 HG2 ARG A 44 4.111 3.664 3.328 1.00 31.23 H new ATOM 0 HG3 ARG A 44 4.820 3.841 1.735 1.00 31.23 H new ATOM 0 HD2 ARG A 44 3.269 5.620 1.153 1.00 51.42 H new ATOM 0 HD3 ARG A 44 2.311 5.336 2.592 1.00 51.42 H new ATOM 0 HE ARG A 44 4.338 6.083 3.921 1.00 40.02 H new ATOM 0 HH11 ARG A 44 3.959 7.037 0.572 1.00 42.32 H new ATOM 0 HH12 ARG A 44 4.905 8.513 0.791 1.00 42.32 H new ATOM 0 HH21 ARG A 44 5.504 7.940 4.156 1.00 32.23 H new ATOM 0 HH22 ARG A 44 5.761 9.013 2.776 1.00 32.23 H new ATOM 714 N THR A 45 2.115 -0.505 2.226 1.00 41.11 N ATOM 715 CA THR A 45 1.103 -1.563 2.029 1.00 63.21 C ATOM 716 C THR A 45 -0.199 -1.279 2.807 1.00 13.00 C ATOM 717 O THR A 45 -0.165 -0.983 4.003 1.00 43.42 O ATOM 718 CB THR A 45 1.654 -2.945 2.478 1.00 15.44 C ATOM 719 OG1 THR A 45 2.868 -3.247 1.773 1.00 60.55 O ATOM 720 CG2 THR A 45 0.637 -4.057 2.228 1.00 20.22 C ATOM 0 H THR A 45 2.619 -0.574 3.110 1.00 41.11 H new ATOM 0 HA THR A 45 0.878 -1.576 0.963 1.00 63.21 H new ATOM 0 HB THR A 45 1.852 -2.889 3.548 1.00 15.44 H new ATOM 0 HG1 THR A 45 3.207 -4.119 2.065 1.00 60.55 H new ATOM 0 HG21 THR A 45 1.053 -5.011 2.553 1.00 20.22 H new ATOM 0 HG22 THR A 45 -0.274 -3.849 2.788 1.00 20.22 H new ATOM 0 HG23 THR A 45 0.406 -4.106 1.164 1.00 20.22 H new ATOM 728 N TYR A 46 -1.344 -1.396 2.127 1.00 61.21 N ATOM 729 CA TYR A 46 -2.664 -1.145 2.738 1.00 15.22 C ATOM 730 C TYR A 46 -3.603 -2.356 2.565 1.00 71.12 C ATOM 731 O TYR A 46 -3.437 -3.152 1.639 1.00 22.43 O ATOM 732 CB TYR A 46 -3.334 0.077 2.084 1.00 11.30 C ATOM 733 CG TYR A 46 -2.470 1.323 2.015 1.00 53.52 C ATOM 734 CD1 TYR A 46 -1.633 1.548 0.928 1.00 11.21 C ATOM 735 CD2 TYR A 46 -2.505 2.280 3.024 1.00 4.32 C ATOM 736 CE1 TYR A 46 -0.856 2.685 0.849 1.00 31.11 C ATOM 737 CE2 TYR A 46 -1.732 3.423 2.947 1.00 32.31 C ATOM 738 CZ TYR A 46 -0.909 3.619 1.858 1.00 72.32 C ATOM 739 OH TYR A 46 -0.139 4.758 1.777 1.00 23.12 O ATOM 0 H TYR A 46 -1.388 -1.665 1.144 1.00 61.21 H new ATOM 0 HA TYR A 46 -2.497 -0.965 3.800 1.00 15.22 H new ATOM 0 HB2 TYR A 46 -3.638 -0.192 1.072 1.00 11.30 H new ATOM 0 HB3 TYR A 46 -4.243 0.314 2.637 1.00 11.30 H new ATOM 0 HD1 TYR A 46 -1.590 0.820 0.132 1.00 11.21 H new ATOM 0 HD2 TYR A 46 -3.146 2.128 3.880 1.00 4.32 H new ATOM 0 HE1 TYR A 46 -0.209 2.841 -0.001 1.00 31.11 H new ATOM 0 HE2 TYR A 46 -1.772 4.159 3.736 1.00 32.31 H new ATOM 0 HH TYR A 46 0.727 4.539 1.374 1.00 23.12 H new ATOM 749 N ASP A 47 -4.601 -2.473 3.447 1.00 5.12 N ATOM 750 CA ASP A 47 -5.644 -3.507 3.316 1.00 52.41 C ATOM 751 C ASP A 47 -6.934 -2.930 2.704 1.00 71.34 C ATOM 752 O ASP A 47 -7.516 -1.980 3.243 1.00 13.13 O ATOM 753 CB ASP A 47 -5.980 -4.130 4.681 1.00 21.42 C ATOM 754 CG ASP A 47 -4.886 -5.025 5.235 1.00 70.32 C ATOM 755 OD1 ASP A 47 -3.915 -5.320 4.515 1.00 1.24 O ATOM 756 OD2 ASP A 47 -5.020 -5.484 6.388 1.00 60.44 O ATOM 0 H ASP A 47 -4.712 -1.867 4.260 1.00 5.12 H new ATOM 0 HA ASP A 47 -5.245 -4.275 2.653 1.00 52.41 H new ATOM 0 HB2 ASP A 47 -6.178 -3.331 5.395 1.00 21.42 H new ATOM 0 HB3 ASP A 47 -6.898 -4.710 4.588 1.00 21.42 H new ATOM 761 N LEU A 48 -7.389 -3.507 1.589 1.00 70.13 N ATOM 762 CA LEU A 48 -8.656 -3.094 0.967 1.00 75.43 C ATOM 763 C LEU A 48 -9.661 -4.263 0.901 1.00 41.12 C ATOM 764 O LEU A 48 -9.324 -5.360 0.454 1.00 72.43 O ATOM 765 CB LEU A 48 -8.416 -2.550 -0.452 1.00 53.32 C ATOM 766 CG LEU A 48 -7.433 -1.369 -0.566 1.00 53.15 C ATOM 767 CD1 LEU A 48 -7.402 -0.833 -1.995 1.00 12.23 C ATOM 768 CD2 LEU A 48 -7.798 -0.258 0.415 1.00 31.24 C ATOM 0 H LEU A 48 -6.904 -4.258 1.098 1.00 70.13 H new ATOM 0 HA LEU A 48 -9.077 -2.306 1.591 1.00 75.43 H new ATOM 0 HB2 LEU A 48 -8.047 -3.365 -1.074 1.00 53.32 H new ATOM 0 HB3 LEU A 48 -9.375 -2.240 -0.868 1.00 53.32 H new ATOM 0 HG LEU A 48 -6.437 -1.732 -0.311 1.00 53.15 H new ATOM 0 HD11 LEU A 48 -6.702 0.001 -2.056 1.00 12.23 H new ATOM 0 HD12 LEU A 48 -7.084 -1.624 -2.674 1.00 12.23 H new ATOM 0 HD13 LEU A 48 -8.398 -0.492 -2.277 1.00 12.23 H new ATOM 0 HD21 LEU A 48 -7.089 0.564 0.314 1.00 31.24 H new ATOM 0 HD22 LEU A 48 -8.804 0.102 0.199 1.00 31.24 H new ATOM 0 HD23 LEU A 48 -7.762 -0.645 1.433 1.00 31.24 H new ATOM 780 N LYS A 49 -10.894 -4.021 1.357 1.00 4.02 N ATOM 781 CA LYS A 49 -11.980 -5.009 1.224 1.00 75.35 C ATOM 782 C LYS A 49 -12.593 -4.961 -0.184 1.00 22.33 C ATOM 783 O LYS A 49 -13.185 -3.954 -0.577 1.00 1.32 O ATOM 784 CB LYS A 49 -13.090 -4.771 2.271 1.00 51.22 C ATOM 785 CG LYS A 49 -12.928 -5.563 3.570 1.00 55.44 C ATOM 786 CD LYS A 49 -11.699 -5.141 4.369 1.00 1.42 C ATOM 787 CE LYS A 49 -11.639 -5.845 5.722 1.00 33.44 C ATOM 788 NZ LYS A 49 -10.520 -5.344 6.560 1.00 74.31 N ATOM 0 H LYS A 49 -11.169 -3.155 1.820 1.00 4.02 H new ATOM 0 HA LYS A 49 -11.542 -5.992 1.394 1.00 75.35 H new ATOM 0 HB2 LYS A 49 -13.121 -3.708 2.511 1.00 51.22 H new ATOM 0 HB3 LYS A 49 -14.051 -5.025 1.825 1.00 51.22 H new ATOM 0 HG2 LYS A 49 -13.818 -5.431 4.185 1.00 55.44 H new ATOM 0 HG3 LYS A 49 -12.857 -6.625 3.336 1.00 55.44 H new ATOM 0 HD2 LYS A 49 -10.798 -5.369 3.799 1.00 1.42 H new ATOM 0 HD3 LYS A 49 -11.716 -4.062 4.520 1.00 1.42 H new ATOM 0 HE2 LYS A 49 -12.581 -5.698 6.250 1.00 33.44 H new ATOM 0 HE3 LYS A 49 -11.524 -6.918 5.568 1.00 33.44 H new ATOM 0 HZ1 LYS A 49 -10.808 -5.344 7.559 1.00 74.31 H new ATOM 0 HZ2 LYS A 49 -9.692 -5.961 6.438 1.00 74.31 H new ATOM 0 HZ3 LYS A 49 -10.276 -4.376 6.270 1.00 74.31 H new ATOM 802 N SER A 50 -12.449 -6.050 -0.935 1.00 1.11 N ATOM 803 CA SER A 50 -13.037 -6.153 -2.278 1.00 74.33 C ATOM 804 C SER A 50 -14.323 -6.985 -2.257 1.00 24.13 C ATOM 805 O SER A 50 -14.281 -8.203 -2.074 1.00 52.22 O ATOM 806 CB SER A 50 -12.040 -6.784 -3.260 1.00 13.23 C ATOM 807 OG SER A 50 -12.597 -6.878 -4.568 1.00 14.13 O ATOM 0 H SER A 50 -11.930 -6.877 -0.640 1.00 1.11 H new ATOM 0 HA SER A 50 -13.277 -5.142 -2.607 1.00 74.33 H new ATOM 0 HB2 SER A 50 -11.129 -6.187 -3.292 1.00 13.23 H new ATOM 0 HB3 SER A 50 -11.758 -7.777 -2.909 1.00 13.23 H new ATOM 0 HG SER A 50 -11.942 -7.282 -5.174 1.00 14.13 H new ATOM 866 N ARG A 55 -12.468 -10.810 -1.270 1.00 70.24 N ATOM 867 CA ARG A 55 -11.163 -10.975 -0.613 1.00 14.12 C ATOM 868 C ARG A 55 -10.634 -9.644 -0.058 1.00 72.51 C ATOM 869 O ARG A 55 -11.040 -8.566 -0.499 1.00 32.22 O ATOM 870 CB ARG A 55 -10.130 -11.528 -1.612 1.00 51.24 C ATOM 871 CG ARG A 55 -10.492 -12.868 -2.245 1.00 20.25 C ATOM 872 CD ARG A 55 -10.506 -14.004 -1.229 1.00 53.34 C ATOM 873 NE ARG A 55 -10.742 -15.296 -1.869 1.00 3.40 N ATOM 874 CZ ARG A 55 -10.700 -16.441 -1.246 1.00 31.22 C ATOM 875 NH1 ARG A 55 -10.477 -16.494 0.029 1.00 51.20 N ATOM 876 NH2 ARG A 55 -10.888 -17.539 -1.909 1.00 2.34 N ATOM 0 HA ARG A 55 -11.307 -11.672 0.213 1.00 14.12 H new ATOM 0 HB2 ARG A 55 -9.988 -10.795 -2.407 1.00 51.24 H new ATOM 0 HB3 ARG A 55 -9.173 -11.633 -1.100 1.00 51.24 H new ATOM 0 HG2 ARG A 55 -11.473 -12.792 -2.715 1.00 20.25 H new ATOM 0 HG3 ARG A 55 -9.777 -13.099 -3.035 1.00 20.25 H new ATOM 0 HD2 ARG A 55 -9.555 -14.029 -0.698 1.00 53.34 H new ATOM 0 HD3 ARG A 55 -11.282 -13.819 -0.486 1.00 53.34 H new ATOM 0 HE ARG A 55 -10.953 -15.303 -2.867 1.00 3.40 H new ATOM 0 HH11 ARG A 55 -10.332 -15.634 0.558 1.00 51.20 H new ATOM 0 HH12 ARG A 55 -10.447 -17.396 0.504 1.00 51.20 H new ATOM 0 HH21 ARG A 55 -11.068 -17.504 -2.912 1.00 2.34 H new ATOM 0 HH22 ARG A 55 -10.856 -18.437 -1.427 1.00 2.34 H new ATOM 890 N MET A 56 -9.724 -9.724 0.913 1.00 71.41 N ATOM 891 CA MET A 56 -8.968 -8.551 1.359 1.00 31.52 C ATOM 892 C MET A 56 -7.641 -8.474 0.598 1.00 32.30 C ATOM 893 O MET A 56 -6.735 -9.268 0.839 1.00 23.02 O ATOM 894 CB MET A 56 -8.689 -8.602 2.867 1.00 44.02 C ATOM 895 CG MET A 56 -9.936 -8.583 3.736 1.00 21.55 C ATOM 896 SD MET A 56 -9.547 -8.385 5.491 1.00 22.54 S ATOM 897 CE MET A 56 -8.476 -9.797 5.770 1.00 71.12 C ATOM 0 H MET A 56 -9.492 -10.586 1.406 1.00 71.41 H new ATOM 0 HA MET A 56 -9.569 -7.665 1.154 1.00 31.52 H new ATOM 0 HB2 MET A 56 -8.120 -9.505 3.089 1.00 44.02 H new ATOM 0 HB3 MET A 56 -8.060 -7.754 3.137 1.00 44.02 H new ATOM 0 HG2 MET A 56 -10.586 -7.769 3.416 1.00 21.55 H new ATOM 0 HG3 MET A 56 -10.491 -9.510 3.592 1.00 21.55 H new ATOM 0 HE1 MET A 56 -8.384 -9.978 6.841 1.00 71.12 H new ATOM 0 HE2 MET A 56 -8.902 -10.677 5.289 1.00 71.12 H new ATOM 0 HE3 MET A 56 -7.491 -9.595 5.350 1.00 71.12 H new ATOM 907 N ILE A 57 -7.530 -7.522 -0.318 1.00 51.02 N ATOM 908 CA ILE A 57 -6.348 -7.420 -1.186 1.00 10.34 C ATOM 909 C ILE A 57 -5.316 -6.441 -0.613 1.00 64.13 C ATOM 910 O ILE A 57 -5.673 -5.345 -0.164 1.00 32.34 O ATOM 911 CB ILE A 57 -6.756 -6.966 -2.613 1.00 3.21 C ATOM 912 CG1 ILE A 57 -7.432 -5.581 -2.575 1.00 23.22 C ATOM 913 CG2 ILE A 57 -7.685 -7.997 -3.244 1.00 64.05 C ATOM 914 CD1 ILE A 57 -7.902 -5.078 -3.929 1.00 22.05 C ATOM 0 H ILE A 57 -8.238 -6.807 -0.485 1.00 51.02 H new ATOM 0 HA ILE A 57 -5.895 -8.410 -1.237 1.00 10.34 H new ATOM 0 HB ILE A 57 -5.855 -6.885 -3.221 1.00 3.21 H new ATOM 0 HG12 ILE A 57 -8.287 -5.625 -1.900 1.00 23.22 H new ATOM 0 HG13 ILE A 57 -6.731 -4.859 -2.155 1.00 23.22 H new ATOM 0 HG21 ILE A 57 -7.966 -7.669 -4.245 1.00 64.05 H new ATOM 0 HG22 ILE A 57 -7.174 -8.958 -3.307 1.00 64.05 H new ATOM 0 HG23 ILE A 57 -8.581 -8.102 -2.632 1.00 64.05 H new ATOM 0 HD11 ILE A 57 -8.365 -4.098 -3.812 1.00 22.05 H new ATOM 0 HD12 ILE A 57 -7.049 -4.998 -4.603 1.00 22.05 H new ATOM 0 HD13 ILE A 57 -8.629 -5.776 -4.344 1.00 22.05 H new ATOM 926 N GLN A 58 -4.034 -6.828 -0.615 1.00 65.42 N ATOM 927 CA GLN A 58 -2.991 -5.940 -0.090 1.00 31.40 C ATOM 928 C GLN A 58 -2.417 -5.046 -1.194 1.00 53.14 C ATOM 929 O GLN A 58 -1.640 -5.490 -2.038 1.00 33.32 O ATOM 930 CB GLN A 58 -1.873 -6.741 0.598 1.00 75.40 C ATOM 931 CG GLN A 58 -2.204 -7.139 2.032 1.00 31.44 C ATOM 932 CD GLN A 58 -3.400 -8.068 2.137 1.00 74.43 C ATOM 933 OE1 GLN A 58 -3.640 -8.899 1.271 1.00 50.04 O ATOM 934 NE2 GLN A 58 -4.177 -7.910 3.186 1.00 65.24 N ATOM 0 H GLN A 58 -3.700 -7.726 -0.965 1.00 65.42 H new ATOM 0 HA GLN A 58 -3.454 -5.297 0.658 1.00 31.40 H new ATOM 0 HB2 GLN A 58 -1.671 -7.641 0.017 1.00 75.40 H new ATOM 0 HB3 GLN A 58 -0.958 -6.148 0.596 1.00 75.40 H new ATOM 0 HG2 GLN A 58 -1.335 -7.625 2.476 1.00 31.44 H new ATOM 0 HG3 GLN A 58 -2.399 -6.239 2.615 1.00 31.44 H new ATOM 0 HE21 GLN A 58 -3.948 -7.208 3.889 1.00 65.24 H new ATOM 0 HE22 GLN A 58 -5.009 -8.490 3.296 1.00 65.24 H new ATOM 943 N VAL A 59 -2.808 -3.777 -1.175 1.00 70.31 N ATOM 944 CA VAL A 59 -2.365 -2.816 -2.185 1.00 11.05 C ATOM 945 C VAL A 59 -1.167 -2.001 -1.690 1.00 34.34 C ATOM 946 O VAL A 59 -1.207 -1.420 -0.609 1.00 75.12 O ATOM 947 CB VAL A 59 -3.512 -1.862 -2.594 1.00 43.13 C ATOM 948 CG1 VAL A 59 -3.013 -0.792 -3.565 1.00 12.04 C ATOM 949 CG2 VAL A 59 -4.668 -2.654 -3.203 1.00 45.42 C ATOM 0 H VAL A 59 -3.433 -3.386 -0.470 1.00 70.31 H new ATOM 0 HA VAL A 59 -2.059 -3.390 -3.060 1.00 11.05 H new ATOM 0 HB VAL A 59 -3.874 -1.356 -1.699 1.00 43.13 H new ATOM 0 HG11 VAL A 59 -3.838 -0.134 -3.837 1.00 12.04 H new ATOM 0 HG12 VAL A 59 -2.225 -0.208 -3.089 1.00 12.04 H new ATOM 0 HG13 VAL A 59 -2.619 -1.270 -4.462 1.00 12.04 H new ATOM 0 HG21 VAL A 59 -5.468 -1.970 -3.486 1.00 45.42 H new ATOM 0 HG22 VAL A 59 -4.318 -3.188 -4.086 1.00 45.42 H new ATOM 0 HG23 VAL A 59 -5.044 -3.369 -2.472 1.00 45.42 H new ATOM 959 N SER A 60 -0.104 -1.954 -2.490 1.00 0.34 N ATOM 960 CA SER A 60 1.130 -1.260 -2.093 1.00 25.54 C ATOM 961 C SER A 60 1.526 -0.176 -3.102 1.00 23.21 C ATOM 962 O SER A 60 1.437 -0.376 -4.314 1.00 51.43 O ATOM 963 CB SER A 60 2.284 -2.262 -1.926 1.00 3.01 C ATOM 964 OG SER A 60 1.968 -3.255 -0.960 1.00 65.02 O ATOM 0 H SER A 60 -0.067 -2.385 -3.414 1.00 0.34 H new ATOM 0 HA SER A 60 0.932 -0.774 -1.137 1.00 25.54 H new ATOM 0 HB2 SER A 60 2.497 -2.737 -2.883 1.00 3.01 H new ATOM 0 HB3 SER A 60 3.188 -1.733 -1.625 1.00 3.01 H new ATOM 0 HG SER A 60 2.406 -3.037 -0.111 1.00 65.02 H new ATOM 970 N ILE A 61 1.953 0.976 -2.590 1.00 41.33 N ATOM 971 CA ILE A 61 2.423 2.091 -3.429 1.00 63.34 C ATOM 972 C ILE A 61 3.849 2.517 -3.025 1.00 11.15 C ATOM 973 O ILE A 61 4.215 2.423 -1.854 1.00 3.35 O ATOM 974 CB ILE A 61 1.477 3.319 -3.320 1.00 22.10 C ATOM 975 CG1 ILE A 61 1.417 3.825 -1.867 1.00 34.50 C ATOM 976 CG2 ILE A 61 0.076 2.970 -3.829 1.00 61.11 C ATOM 977 CD1 ILE A 61 0.497 5.011 -1.663 1.00 51.12 C ATOM 0 H ILE A 61 1.986 1.169 -1.589 1.00 41.33 H new ATOM 0 HA ILE A 61 2.427 1.737 -4.460 1.00 63.34 H new ATOM 0 HB ILE A 61 1.877 4.117 -3.946 1.00 22.10 H new ATOM 0 HG12 ILE A 61 1.089 3.009 -1.223 1.00 34.50 H new ATOM 0 HG13 ILE A 61 2.422 4.099 -1.547 1.00 34.50 H new ATOM 0 HG21 ILE A 61 -0.570 3.844 -3.744 1.00 61.11 H new ATOM 0 HG22 ILE A 61 0.134 2.662 -4.873 1.00 61.11 H new ATOM 0 HG23 ILE A 61 -0.335 2.155 -3.233 1.00 61.11 H new ATOM 0 HD11 ILE A 61 0.511 5.306 -0.614 1.00 51.12 H new ATOM 0 HD12 ILE A 61 0.835 5.844 -2.279 1.00 51.12 H new ATOM 0 HD13 ILE A 61 -0.518 4.737 -1.949 1.00 51.12 H new ATOM 989 N PRO A 62 4.677 2.990 -3.978 1.00 22.13 N ATOM 990 CA PRO A 62 6.052 3.440 -3.677 1.00 42.34 C ATOM 991 C PRO A 62 6.081 4.641 -2.711 1.00 64.24 C ATOM 992 O PRO A 62 5.157 5.455 -2.688 1.00 13.52 O ATOM 993 CB PRO A 62 6.618 3.824 -5.058 1.00 62.41 C ATOM 994 CG PRO A 62 5.416 4.069 -5.911 1.00 65.13 C ATOM 995 CD PRO A 62 4.356 3.122 -5.410 1.00 72.42 C ATOM 0 HA PRO A 62 6.633 2.668 -3.172 1.00 42.34 H new ATOM 0 HB2 PRO A 62 7.245 4.713 -4.995 1.00 62.41 H new ATOM 0 HB3 PRO A 62 7.237 3.026 -5.467 1.00 62.41 H new ATOM 0 HG2 PRO A 62 5.085 5.104 -5.831 1.00 65.13 H new ATOM 0 HG3 PRO A 62 5.639 3.886 -6.962 1.00 65.13 H new ATOM 0 HD2 PRO A 62 3.353 3.521 -5.563 1.00 72.42 H new ATOM 0 HD3 PRO A 62 4.398 2.161 -5.923 1.00 72.42 H new ATOM 1003 N ALA A 63 7.154 4.745 -1.919 1.00 41.34 N ATOM 1004 CA ALA A 63 7.286 5.802 -0.900 1.00 61.42 C ATOM 1005 C ALA A 63 7.053 7.212 -1.471 1.00 64.15 C ATOM 1006 O ALA A 63 6.543 8.092 -0.776 1.00 21.01 O ATOM 1007 CB ALA A 63 8.661 5.728 -0.249 1.00 62.12 C ATOM 0 H ALA A 63 7.950 4.108 -1.962 1.00 41.34 H new ATOM 0 HA ALA A 63 6.510 5.625 -0.155 1.00 61.42 H new ATOM 0 HB1 ALA A 63 8.750 6.512 0.503 1.00 62.12 H new ATOM 0 HB2 ALA A 63 8.787 4.755 0.225 1.00 62.12 H new ATOM 0 HB3 ALA A 63 9.431 5.864 -1.008 1.00 62.12 H new ATOM 1013 N SER A 64 7.434 7.415 -2.731 1.00 4.11 N ATOM 1014 CA SER A 64 7.243 8.706 -3.414 1.00 12.30 C ATOM 1015 C SER A 64 5.787 9.187 -3.350 1.00 71.42 C ATOM 1016 O SER A 64 5.521 10.388 -3.296 1.00 32.04 O ATOM 1017 CB SER A 64 7.677 8.602 -4.880 1.00 61.04 C ATOM 1018 OG SER A 64 9.047 8.247 -4.982 1.00 62.14 O ATOM 0 H SER A 64 7.880 6.701 -3.307 1.00 4.11 H new ATOM 0 HA SER A 64 7.863 9.435 -2.892 1.00 12.30 H new ATOM 0 HB2 SER A 64 7.066 7.858 -5.392 1.00 61.04 H new ATOM 0 HB3 SER A 64 7.506 9.555 -5.382 1.00 61.04 H new ATOM 0 HG SER A 64 9.299 8.185 -5.927 1.00 62.14 H new ATOM 1024 N VAL A 65 4.847 8.245 -3.358 1.00 24.35 N ATOM 1025 CA VAL A 65 3.420 8.574 -3.277 1.00 2.34 C ATOM 1026 C VAL A 65 2.998 8.814 -1.817 1.00 13.32 C ATOM 1027 O VAL A 65 3.056 7.900 -0.991 1.00 1.54 O ATOM 1028 CB VAL A 65 2.546 7.448 -3.886 1.00 33.20 C ATOM 1029 CG1 VAL A 65 1.071 7.844 -3.896 1.00 43.52 C ATOM 1030 CG2 VAL A 65 3.023 7.095 -5.292 1.00 22.41 C ATOM 0 H VAL A 65 5.045 7.246 -3.420 1.00 24.35 H new ATOM 0 HA VAL A 65 3.265 9.487 -3.852 1.00 2.34 H new ATOM 0 HB VAL A 65 2.651 6.563 -3.258 1.00 33.20 H new ATOM 0 HG11 VAL A 65 0.480 7.036 -4.328 1.00 43.52 H new ATOM 0 HG12 VAL A 65 0.738 8.031 -2.875 1.00 43.52 H new ATOM 0 HG13 VAL A 65 0.941 8.748 -4.492 1.00 43.52 H new ATOM 0 HG21 VAL A 65 2.396 6.303 -5.701 1.00 22.41 H new ATOM 0 HG22 VAL A 65 2.957 7.976 -5.931 1.00 22.41 H new ATOM 0 HG23 VAL A 65 4.057 6.754 -5.250 1.00 22.41 H new ATOM 1040 N PRO A 66 2.566 10.051 -1.482 1.00 64.43 N ATOM 1041 CA PRO A 66 2.208 10.436 -0.100 1.00 31.14 C ATOM 1042 C PRO A 66 1.247 9.452 0.588 1.00 2.45 C ATOM 1043 O PRO A 66 0.323 8.923 -0.040 1.00 73.41 O ATOM 1044 CB PRO A 66 1.537 11.807 -0.280 1.00 53.23 C ATOM 1045 CG PRO A 66 2.145 12.360 -1.526 1.00 13.54 C ATOM 1046 CD PRO A 66 2.390 11.176 -2.426 1.00 34.45 C ATOM 0 HA PRO A 66 3.085 10.445 0.547 1.00 31.14 H new ATOM 0 HB2 PRO A 66 0.456 11.710 -0.375 1.00 53.23 H new ATOM 0 HB3 PRO A 66 1.725 12.456 0.575 1.00 53.23 H new ATOM 0 HG2 PRO A 66 1.478 13.080 -2.000 1.00 13.54 H new ATOM 0 HG3 PRO A 66 3.076 12.884 -1.307 1.00 13.54 H new ATOM 0 HD2 PRO A 66 1.551 11.005 -3.101 1.00 34.45 H new ATOM 0 HD3 PRO A 66 3.274 11.321 -3.047 1.00 34.45 H new ATOM 1054 N LEU A 67 1.470 9.215 1.885 1.00 21.14 N ATOM 1055 CA LEU A 67 0.618 8.320 2.673 1.00 44.44 C ATOM 1056 C LEU A 67 -0.865 8.716 2.539 1.00 14.14 C ATOM 1057 O LEU A 67 -1.206 9.901 2.558 1.00 50.24 O ATOM 1058 CB LEU A 67 1.054 8.342 4.147 1.00 10.12 C ATOM 1059 CG LEU A 67 0.349 7.335 5.066 1.00 2.03 C ATOM 1060 CD1 LEU A 67 0.501 5.916 4.532 1.00 40.41 C ATOM 1061 CD2 LEU A 67 0.889 7.443 6.491 1.00 33.41 C ATOM 0 H LEU A 67 2.237 9.633 2.412 1.00 21.14 H new ATOM 0 HA LEU A 67 0.730 7.306 2.289 1.00 44.44 H new ATOM 0 HB2 LEU A 67 2.127 8.157 4.192 1.00 10.12 H new ATOM 0 HB3 LEU A 67 0.887 9.344 4.541 1.00 10.12 H new ATOM 0 HG LEU A 67 -0.714 7.573 5.085 1.00 2.03 H new ATOM 0 HD11 LEU A 67 -0.007 5.220 5.200 1.00 40.41 H new ATOM 0 HD12 LEU A 67 0.060 5.852 3.537 1.00 40.41 H new ATOM 0 HD13 LEU A 67 1.559 5.660 4.476 1.00 40.41 H new ATOM 0 HD21 LEU A 67 0.378 6.722 7.129 1.00 33.41 H new ATOM 0 HD22 LEU A 67 1.959 7.234 6.491 1.00 33.41 H new ATOM 0 HD23 LEU A 67 0.716 8.450 6.870 1.00 33.41 H new ATOM 1073 N LYS A 68 -1.741 7.724 2.397 1.00 20.53 N ATOM 1074 CA LYS A 68 -3.150 7.981 2.060 1.00 44.32 C ATOM 1075 C LYS A 68 -3.984 8.408 3.284 1.00 33.52 C ATOM 1076 O LYS A 68 -4.604 9.470 3.270 1.00 73.51 O ATOM 1077 CB LYS A 68 -3.771 6.748 1.390 1.00 14.13 C ATOM 1078 CG LYS A 68 -2.923 6.157 0.255 1.00 64.30 C ATOM 1079 CD LYS A 68 -2.341 7.231 -0.673 1.00 74.24 C ATOM 1080 CE LYS A 68 -3.423 8.057 -1.359 1.00 65.31 C ATOM 1081 NZ LYS A 68 -2.850 9.102 -2.250 1.00 54.45 N ATOM 0 H LYS A 68 -1.507 6.737 2.508 1.00 20.53 H new ATOM 0 HA LYS A 68 -3.164 8.817 1.361 1.00 44.32 H new ATOM 0 HB2 LYS A 68 -3.933 5.980 2.146 1.00 14.13 H new ATOM 0 HB3 LYS A 68 -4.750 7.017 0.995 1.00 14.13 H new ATOM 0 HG2 LYS A 68 -2.108 5.573 0.683 1.00 64.30 H new ATOM 0 HG3 LYS A 68 -3.535 5.470 -0.330 1.00 64.30 H new ATOM 0 HD2 LYS A 68 -1.694 7.892 -0.097 1.00 74.24 H new ATOM 0 HD3 LYS A 68 -1.718 6.754 -1.430 1.00 74.24 H new ATOM 0 HE2 LYS A 68 -4.067 7.398 -1.942 1.00 65.31 H new ATOM 0 HE3 LYS A 68 -4.051 8.530 -0.604 1.00 65.31 H new ATOM 0 HZ1 LYS A 68 -3.621 9.639 -2.695 1.00 54.45 H new ATOM 0 HZ2 LYS A 68 -2.256 9.747 -1.691 1.00 54.45 H new ATOM 0 HZ3 LYS A 68 -2.272 8.651 -2.987 1.00 54.45 H new ATOM 1095 N GLU A 69 -4.011 7.563 4.320 1.00 24.42 N ATOM 1096 CA GLU A 69 -4.717 7.877 5.576 1.00 43.42 C ATOM 1097 C GLU A 69 -6.220 8.168 5.356 1.00 64.13 C ATOM 1098 O GLU A 69 -6.789 9.048 6.002 1.00 10.22 O ATOM 1099 CB GLU A 69 -4.039 9.074 6.268 1.00 44.12 C ATOM 1100 CG GLU A 69 -2.557 8.851 6.564 1.00 32.12 C ATOM 1101 CD GLU A 69 -1.881 10.068 7.178 1.00 34.20 C ATOM 1102 OE1 GLU A 69 -1.386 10.928 6.417 1.00 4.31 O ATOM 1103 OE2 GLU A 69 -1.846 10.175 8.420 1.00 50.40 O ATOM 0 H GLU A 69 -3.552 6.652 4.317 1.00 24.42 H new ATOM 0 HA GLU A 69 -4.655 6.995 6.214 1.00 43.42 H new ATOM 0 HB2 GLU A 69 -4.146 9.956 5.637 1.00 44.12 H new ATOM 0 HB3 GLU A 69 -4.560 9.285 7.202 1.00 44.12 H new ATOM 0 HG2 GLU A 69 -2.452 8.004 7.242 1.00 32.12 H new ATOM 0 HG3 GLU A 69 -2.044 8.586 5.640 1.00 32.12 H new ATOM 1110 N PHE A 70 -6.865 7.408 4.465 1.00 24.40 N ATOM 1111 CA PHE A 70 -8.300 7.591 4.185 1.00 74.31 C ATOM 1112 C PHE A 70 -9.183 7.132 5.363 1.00 21.51 C ATOM 1113 O PHE A 70 -8.696 6.558 6.340 1.00 31.31 O ATOM 1114 CB PHE A 70 -8.703 6.835 2.910 1.00 15.01 C ATOM 1115 CG PHE A 70 -8.093 7.395 1.648 1.00 72.34 C ATOM 1116 CD1 PHE A 70 -8.219 8.744 1.341 1.00 62.43 C ATOM 1117 CD2 PHE A 70 -7.405 6.577 0.763 1.00 53.10 C ATOM 1118 CE1 PHE A 70 -7.670 9.261 0.183 1.00 50.23 C ATOM 1119 CE2 PHE A 70 -6.858 7.091 -0.397 1.00 23.22 C ATOM 1120 CZ PHE A 70 -6.991 8.433 -0.687 1.00 1.05 C ATOM 0 H PHE A 70 -6.423 6.663 3.926 1.00 24.40 H new ATOM 0 HA PHE A 70 -8.462 8.659 4.040 1.00 74.31 H new ATOM 0 HB2 PHE A 70 -8.410 5.790 3.011 1.00 15.01 H new ATOM 0 HB3 PHE A 70 -9.789 6.854 2.816 1.00 15.01 H new ATOM 0 HD1 PHE A 70 -8.753 9.397 2.016 1.00 62.43 H new ATOM 0 HD2 PHE A 70 -7.296 5.525 0.984 1.00 53.10 H new ATOM 0 HE1 PHE A 70 -7.772 10.313 -0.041 1.00 50.23 H new ATOM 0 HE2 PHE A 70 -6.326 6.442 -1.077 1.00 23.22 H new ATOM 0 HZ PHE A 70 -6.564 8.835 -1.594 1.00 1.05 H new ATOM 1130 N ASP A 71 -10.484 7.399 5.261 1.00 25.42 N ATOM 1131 CA ASP A 71 -11.446 7.030 6.307 1.00 41.32 C ATOM 1132 C ASP A 71 -11.663 5.507 6.383 1.00 64.21 C ATOM 1133 O ASP A 71 -11.435 4.777 5.416 1.00 65.22 O ATOM 1134 CB ASP A 71 -12.785 7.731 6.058 1.00 63.32 C ATOM 1135 CG ASP A 71 -12.645 9.240 5.983 1.00 34.31 C ATOM 1136 OD1 ASP A 71 -12.290 9.754 4.901 1.00 14.24 O ATOM 1137 OD2 ASP A 71 -12.905 9.919 7.001 1.00 1.13 O ATOM 0 H ASP A 71 -10.902 7.873 4.460 1.00 25.42 H new ATOM 0 HA ASP A 71 -11.030 7.353 7.261 1.00 41.32 H new ATOM 0 HB2 ASP A 71 -13.217 7.363 5.127 1.00 63.32 H new ATOM 0 HB3 ASP A 71 -13.481 7.473 6.856 1.00 63.32 H new ATOM 1142 N TYR A 72 -12.125 5.046 7.540 1.00 31.51 N ATOM 1143 CA TYR A 72 -12.379 3.623 7.773 1.00 52.13 C ATOM 1144 C TYR A 72 -13.605 3.144 6.969 1.00 22.24 C ATOM 1145 O TYR A 72 -14.720 3.615 7.188 1.00 11.51 O ATOM 1146 CB TYR A 72 -12.587 3.392 9.279 1.00 40.21 C ATOM 1147 CG TYR A 72 -12.504 1.940 9.728 1.00 52.43 C ATOM 1148 CD1 TYR A 72 -11.487 1.108 9.274 1.00 61.32 C ATOM 1149 CD2 TYR A 72 -13.436 1.411 10.615 1.00 13.11 C ATOM 1150 CE1 TYR A 72 -11.403 -0.209 9.689 1.00 15.25 C ATOM 1151 CE2 TYR A 72 -13.355 0.098 11.038 1.00 60.52 C ATOM 1152 CZ TYR A 72 -12.338 -0.710 10.571 1.00 10.03 C ATOM 1153 OH TYR A 72 -12.253 -2.019 10.994 1.00 72.35 O ATOM 0 H TYR A 72 -12.334 5.642 8.341 1.00 31.51 H new ATOM 0 HA TYR A 72 -11.521 3.043 7.434 1.00 52.13 H new ATOM 0 HB2 TYR A 72 -11.840 3.968 9.825 1.00 40.21 H new ATOM 0 HB3 TYR A 72 -13.563 3.788 9.560 1.00 40.21 H new ATOM 0 HD1 TYR A 72 -10.750 1.496 8.586 1.00 61.32 H new ATOM 0 HD2 TYR A 72 -14.237 2.037 10.979 1.00 13.11 H new ATOM 0 HE1 TYR A 72 -10.608 -0.843 9.324 1.00 15.25 H new ATOM 0 HE2 TYR A 72 -14.084 -0.294 11.731 1.00 60.52 H new ATOM 0 HH TYR A 72 -12.988 -2.211 11.614 1.00 72.35 H new ATOM 1163 N ASN A 73 -13.374 2.203 6.044 1.00 44.41 N ATOM 1164 CA ASN A 73 -14.414 1.682 5.128 1.00 33.41 C ATOM 1165 C ASN A 73 -14.754 2.685 4.007 1.00 33.21 C ATOM 1166 O ASN A 73 -15.820 2.600 3.394 1.00 43.41 O ATOM 1167 CB ASN A 73 -15.694 1.280 5.884 1.00 60.44 C ATOM 1168 CG ASN A 73 -15.469 0.133 6.853 1.00 51.34 C ATOM 1169 OD1 ASN A 73 -15.568 -1.032 6.489 1.00 2.33 O ATOM 1170 ND2 ASN A 73 -15.188 0.450 8.099 1.00 64.43 N ATOM 0 H ASN A 73 -12.458 1.776 5.904 1.00 44.41 H new ATOM 0 HA ASN A 73 -13.993 0.789 4.667 1.00 33.41 H new ATOM 0 HB2 ASN A 73 -16.073 2.143 6.431 1.00 60.44 H new ATOM 0 HB3 ASN A 73 -16.462 0.996 5.164 1.00 60.44 H new ATOM 0 HD21 ASN A 73 -15.046 -0.284 8.792 1.00 64.43 H new ATOM 0 HD22 ASN A 73 -15.112 1.430 8.371 1.00 64.43 H new ATOM 1177 N ALA A 74 -13.841 3.612 3.719 1.00 51.40 N ATOM 1178 CA ALA A 74 -14.053 4.603 2.654 1.00 3.33 C ATOM 1179 C ALA A 74 -13.887 3.987 1.253 1.00 11.20 C ATOM 1180 O ALA A 74 -13.008 3.152 1.035 1.00 13.42 O ATOM 1181 CB ALA A 74 -13.094 5.774 2.823 1.00 14.15 C ATOM 0 H ALA A 74 -12.948 3.701 4.204 1.00 51.40 H new ATOM 0 HA ALA A 74 -15.080 4.959 2.741 1.00 3.33 H new ATOM 0 HB1 ALA A 74 -13.262 6.500 2.027 1.00 14.15 H new ATOM 0 HB2 ALA A 74 -13.266 6.248 3.789 1.00 14.15 H new ATOM 0 HB3 ALA A 74 -12.067 5.413 2.773 1.00 14.15 H new ATOM 1187 N ARG A 75 -14.731 4.412 0.309 1.00 61.41 N ATOM 1188 CA ARG A 75 -14.652 3.936 -1.079 1.00 33.23 C ATOM 1189 C ARG A 75 -13.365 4.435 -1.752 1.00 34.33 C ATOM 1190 O ARG A 75 -13.182 5.643 -1.934 1.00 4.53 O ATOM 1191 CB ARG A 75 -15.862 4.428 -1.889 1.00 1.14 C ATOM 1192 CG ARG A 75 -17.215 4.123 -1.254 1.00 12.32 C ATOM 1193 CD ARG A 75 -18.363 4.649 -2.114 1.00 14.44 C ATOM 1194 NE ARG A 75 -18.226 6.079 -2.414 1.00 45.54 N ATOM 1195 CZ ARG A 75 -18.991 6.736 -3.252 1.00 71.01 C ATOM 1196 NH1 ARG A 75 -19.969 6.142 -3.856 1.00 5.14 N ATOM 1197 NH2 ARG A 75 -18.785 7.994 -3.471 1.00 11.32 N ATOM 0 H ARG A 75 -15.478 5.085 0.479 1.00 61.41 H new ATOM 0 HA ARG A 75 -14.649 2.846 -1.056 1.00 33.23 H new ATOM 0 HB2 ARG A 75 -15.775 5.505 -2.029 1.00 1.14 H new ATOM 0 HB3 ARG A 75 -15.829 3.974 -2.879 1.00 1.14 H new ATOM 0 HG2 ARG A 75 -17.322 3.047 -1.120 1.00 12.32 H new ATOM 0 HG3 ARG A 75 -17.264 4.574 -0.263 1.00 12.32 H new ATOM 0 HD2 ARG A 75 -18.402 4.087 -3.047 1.00 14.44 H new ATOM 0 HD3 ARG A 75 -19.308 4.477 -1.599 1.00 14.44 H new ATOM 0 HE ARG A 75 -17.486 6.596 -1.939 1.00 45.54 H new ATOM 0 HH11 ARG A 75 -20.151 5.154 -3.682 1.00 5.14 H new ATOM 0 HH12 ARG A 75 -20.558 6.662 -4.506 1.00 5.14 H new ATOM 0 HH21 ARG A 75 -18.026 8.478 -2.991 1.00 11.32 H new ATOM 0 HH22 ARG A 75 -19.382 8.502 -4.123 1.00 11.32 H new ATOM 1211 N VAL A 76 -12.484 3.512 -2.129 1.00 55.40 N ATOM 1212 CA VAL A 76 -11.201 3.866 -2.747 1.00 24.22 C ATOM 1213 C VAL A 76 -10.949 3.086 -4.050 1.00 75.41 C ATOM 1214 O VAL A 76 -11.239 1.894 -4.142 1.00 61.24 O ATOM 1215 CB VAL A 76 -10.022 3.620 -1.770 1.00 13.51 C ATOM 1216 CG1 VAL A 76 -10.111 4.557 -0.567 1.00 72.43 C ATOM 1217 CG2 VAL A 76 -9.981 2.159 -1.319 1.00 5.35 C ATOM 0 H VAL A 76 -12.632 2.509 -2.018 1.00 55.40 H new ATOM 0 HA VAL A 76 -11.259 4.928 -2.987 1.00 24.22 H new ATOM 0 HB VAL A 76 -9.094 3.835 -2.300 1.00 13.51 H new ATOM 0 HG11 VAL A 76 -9.274 4.367 0.105 1.00 72.43 H new ATOM 0 HG12 VAL A 76 -10.075 5.592 -0.908 1.00 72.43 H new ATOM 0 HG13 VAL A 76 -11.048 4.382 -0.038 1.00 72.43 H new ATOM 0 HG21 VAL A 76 -9.145 2.013 -0.635 1.00 5.35 H new ATOM 0 HG22 VAL A 76 -10.913 1.908 -0.812 1.00 5.35 H new ATOM 0 HG23 VAL A 76 -9.855 1.513 -2.188 1.00 5.35 H new ATOM 1227 N GLU A 77 -10.396 3.766 -5.051 1.00 2.51 N ATOM 1228 CA GLU A 77 -10.070 3.142 -6.340 1.00 54.14 C ATOM 1229 C GLU A 77 -8.587 3.342 -6.690 1.00 11.33 C ATOM 1230 O GLU A 77 -7.933 4.270 -6.202 1.00 14.14 O ATOM 1231 CB GLU A 77 -10.960 3.712 -7.458 1.00 64.15 C ATOM 1232 CG GLU A 77 -10.937 5.235 -7.558 1.00 63.31 C ATOM 1233 CD GLU A 77 -11.619 5.762 -8.812 1.00 41.33 C ATOM 1234 OE1 GLU A 77 -12.834 5.530 -8.982 1.00 54.31 O ATOM 1235 OE2 GLU A 77 -10.937 6.400 -9.645 1.00 41.33 O ATOM 0 H GLU A 77 -10.161 4.757 -4.998 1.00 2.51 H new ATOM 0 HA GLU A 77 -10.260 2.072 -6.251 1.00 54.14 H new ATOM 0 HB2 GLU A 77 -10.641 3.291 -8.412 1.00 64.15 H new ATOM 0 HB3 GLU A 77 -11.987 3.385 -7.293 1.00 64.15 H new ATOM 0 HG2 GLU A 77 -11.426 5.658 -6.681 1.00 63.31 H new ATOM 0 HG3 GLU A 77 -9.903 5.578 -7.543 1.00 63.31 H new ATOM 1242 N LEU A 78 -8.060 2.467 -7.545 1.00 72.00 N ATOM 1243 CA LEU A 78 -6.637 2.496 -7.906 1.00 22.51 C ATOM 1244 C LEU A 78 -6.407 3.181 -9.259 1.00 11.11 C ATOM 1245 O LEU A 78 -7.084 2.884 -10.242 1.00 30.34 O ATOM 1246 CB LEU A 78 -6.076 1.067 -7.939 1.00 32.21 C ATOM 1247 CG LEU A 78 -6.168 0.307 -6.609 1.00 13.43 C ATOM 1248 CD1 LEU A 78 -5.578 -1.093 -6.735 1.00 63.42 C ATOM 1249 CD2 LEU A 78 -5.472 1.093 -5.503 1.00 25.13 C ATOM 0 H LEU A 78 -8.594 1.728 -8.002 1.00 72.00 H new ATOM 0 HA LEU A 78 -6.113 3.077 -7.147 1.00 22.51 H new ATOM 0 HB2 LEU A 78 -6.609 0.500 -8.702 1.00 32.21 H new ATOM 0 HB3 LEU A 78 -5.031 1.109 -8.245 1.00 32.21 H new ATOM 0 HG LEU A 78 -7.221 0.199 -6.348 1.00 13.43 H new ATOM 0 HD11 LEU A 78 -5.657 -1.608 -5.778 1.00 63.42 H new ATOM 0 HD12 LEU A 78 -6.126 -1.652 -7.494 1.00 63.42 H new ATOM 0 HD13 LEU A 78 -4.529 -1.021 -7.023 1.00 63.42 H new ATOM 0 HD21 LEU A 78 -5.545 0.543 -4.565 1.00 25.13 H new ATOM 0 HD22 LEU A 78 -4.422 1.233 -5.761 1.00 25.13 H new ATOM 0 HD23 LEU A 78 -5.951 2.066 -5.391 1.00 25.13 H new ATOM 1261 N ILE A 79 -5.443 4.098 -9.299 1.00 43.02 N ATOM 1262 CA ILE A 79 -5.086 4.799 -10.540 1.00 31.22 C ATOM 1263 C ILE A 79 -4.536 3.821 -11.600 1.00 64.54 C ATOM 1264 O ILE A 79 -5.216 3.513 -12.581 1.00 55.11 O ATOM 1265 CB ILE A 79 -4.050 5.922 -10.267 1.00 35.12 C ATOM 1266 CG1 ILE A 79 -4.610 6.934 -9.252 1.00 31.54 C ATOM 1267 CG2 ILE A 79 -3.661 6.628 -11.564 1.00 54.51 C ATOM 1268 CD1 ILE A 79 -5.868 7.637 -9.710 1.00 34.03 C ATOM 0 H ILE A 79 -4.892 4.377 -8.487 1.00 43.02 H new ATOM 0 HA ILE A 79 -5.998 5.251 -10.930 1.00 31.22 H new ATOM 0 HB ILE A 79 -3.155 5.465 -9.846 1.00 35.12 H new ATOM 0 HG12 ILE A 79 -4.817 6.416 -8.315 1.00 31.54 H new ATOM 0 HG13 ILE A 79 -3.845 7.682 -9.041 1.00 31.54 H new ATOM 0 HG21 ILE A 79 -2.934 7.411 -11.348 1.00 54.51 H new ATOM 0 HG22 ILE A 79 -3.223 5.907 -12.254 1.00 54.51 H new ATOM 0 HG23 ILE A 79 -4.548 7.071 -12.017 1.00 54.51 H new ATOM 0 HD11 ILE A 79 -6.198 8.333 -8.938 1.00 34.03 H new ATOM 0 HD12 ILE A 79 -5.664 8.185 -10.630 1.00 34.03 H new ATOM 0 HD13 ILE A 79 -6.650 6.900 -9.893 1.00 34.03 H new ATOM 1280 N ASN A 80 -3.308 3.330 -11.392 1.00 32.43 N ATOM 1281 CA ASN A 80 -2.712 2.303 -12.269 1.00 12.11 C ATOM 1282 C ASN A 80 -2.255 1.084 -11.439 1.00 52.23 C ATOM 1283 O ASN A 80 -1.135 1.059 -10.927 1.00 32.11 O ATOM 1284 CB ASN A 80 -1.517 2.867 -13.063 1.00 23.52 C ATOM 1285 CG ASN A 80 -1.873 4.107 -13.863 1.00 0.43 C ATOM 1286 OD1 ASN A 80 -1.527 5.272 -13.350 1.00 41.40 O flip ATOM 1287 ND2 ASN A 80 -2.425 4.019 -14.956 1.00 1.13 N flip ATOM 0 H ASN A 80 -2.704 3.625 -10.625 1.00 32.43 H new ATOM 0 HA ASN A 80 -3.479 1.990 -12.978 1.00 12.11 H new ATOM 0 HB2 ASN A 80 -0.708 3.106 -12.372 1.00 23.52 H new ATOM 0 HB3 ASN A 80 -1.142 2.099 -13.740 1.00 23.52 H new ATOM 0 HD21 ASN A 80 -2.680 3.103 -15.326 1.00 1.13 H new ATOM 0 HD22 ASN A 80 -2.628 4.861 -15.494 1.00 1.13 H new ATOM 1294 N PRO A 81 -3.145 0.086 -11.244 1.00 3.34 N ATOM 1295 CA PRO A 81 -2.832 -1.139 -10.481 1.00 64.14 C ATOM 1296 C PRO A 81 -2.077 -2.217 -11.289 1.00 64.22 C ATOM 1297 O PRO A 81 -2.272 -2.360 -12.498 1.00 44.44 O ATOM 1298 CB PRO A 81 -4.225 -1.648 -10.096 1.00 62.55 C ATOM 1299 CG PRO A 81 -5.093 -1.237 -11.236 1.00 63.32 C ATOM 1300 CD PRO A 81 -4.542 0.081 -11.731 1.00 1.34 C ATOM 0 HA PRO A 81 -2.163 -0.927 -9.647 1.00 64.14 H new ATOM 0 HB2 PRO A 81 -4.230 -2.730 -9.961 1.00 62.55 H new ATOM 0 HB3 PRO A 81 -4.565 -1.208 -9.158 1.00 62.55 H new ATOM 0 HG2 PRO A 81 -5.078 -1.987 -12.027 1.00 63.32 H new ATOM 0 HG3 PRO A 81 -6.130 -1.130 -10.917 1.00 63.32 H new ATOM 0 HD2 PRO A 81 -4.587 0.150 -12.818 1.00 1.34 H new ATOM 0 HD3 PRO A 81 -5.107 0.925 -11.334 1.00 1.34 H new ATOM 1308 N ILE A 82 -1.217 -2.978 -10.605 1.00 72.44 N ATOM 1309 CA ILE A 82 -0.540 -4.142 -11.197 1.00 44.11 C ATOM 1310 C ILE A 82 -0.468 -5.304 -10.188 1.00 33.41 C ATOM 1311 O ILE A 82 -0.395 -5.088 -8.974 1.00 62.22 O ATOM 1312 CB ILE A 82 0.901 -3.808 -11.688 1.00 45.10 C ATOM 1313 CG1 ILE A 82 1.794 -3.366 -10.515 1.00 41.34 C ATOM 1314 CG2 ILE A 82 0.874 -2.734 -12.775 1.00 13.11 C ATOM 1315 CD1 ILE A 82 3.235 -3.091 -10.901 1.00 13.14 C ATOM 0 H ILE A 82 -0.970 -2.808 -9.630 1.00 72.44 H new ATOM 0 HA ILE A 82 -1.135 -4.435 -12.062 1.00 44.11 H new ATOM 0 HB ILE A 82 1.325 -4.716 -12.116 1.00 45.10 H new ATOM 0 HG12 ILE A 82 1.371 -2.466 -10.070 1.00 41.34 H new ATOM 0 HG13 ILE A 82 1.776 -4.140 -9.748 1.00 41.34 H new ATOM 0 HG21 ILE A 82 1.892 -2.520 -13.100 1.00 13.11 H new ATOM 0 HG22 ILE A 82 0.290 -3.090 -13.624 1.00 13.11 H new ATOM 0 HG23 ILE A 82 0.421 -1.826 -12.378 1.00 13.11 H new ATOM 0 HD11 ILE A 82 3.796 -2.785 -10.018 1.00 13.14 H new ATOM 0 HD12 ILE A 82 3.679 -3.995 -11.318 1.00 13.14 H new ATOM 0 HD13 ILE A 82 3.267 -2.295 -11.645 1.00 13.14 H new ATOM 1327 N ALA A 83 -0.492 -6.538 -10.694 1.00 22.50 N ATOM 1328 CA ALA A 83 -0.414 -7.730 -9.839 1.00 30.34 C ATOM 1329 C ALA A 83 1.047 -8.174 -9.652 1.00 70.25 C ATOM 1330 O ALA A 83 1.722 -8.552 -10.612 1.00 2.20 O ATOM 1331 CB ALA A 83 -1.253 -8.862 -10.431 1.00 54.10 C ATOM 0 H ALA A 83 -0.565 -6.741 -11.691 1.00 22.50 H new ATOM 0 HA ALA A 83 -0.816 -7.478 -8.858 1.00 30.34 H new ATOM 0 HB1 ALA A 83 -1.186 -9.739 -9.787 1.00 54.10 H new ATOM 0 HB2 ALA A 83 -2.293 -8.544 -10.504 1.00 54.10 H new ATOM 0 HB3 ALA A 83 -0.879 -9.111 -11.424 1.00 54.10 H new ATOM 1337 N ASP A 84 1.532 -8.127 -8.413 1.00 70.04 N ATOM 1338 CA ASP A 84 2.945 -8.402 -8.127 1.00 63.41 C ATOM 1339 C ASP A 84 3.236 -9.910 -7.995 1.00 34.42 C ATOM 1340 O ASP A 84 2.339 -10.720 -7.745 1.00 52.23 O ATOM 1341 CB ASP A 84 3.366 -7.671 -6.847 1.00 12.31 C ATOM 1342 CG ASP A 84 4.866 -7.720 -6.625 1.00 1.23 C ATOM 1343 OD1 ASP A 84 5.575 -6.833 -7.146 1.00 31.44 O ATOM 1344 OD2 ASP A 84 5.341 -8.658 -5.956 1.00 74.12 O ATOM 0 H ASP A 84 0.972 -7.902 -7.591 1.00 70.04 H new ATOM 0 HA ASP A 84 3.527 -8.036 -8.973 1.00 63.41 H new ATOM 0 HB2 ASP A 84 3.042 -6.632 -6.901 1.00 12.31 H new ATOM 0 HB3 ASP A 84 2.859 -8.118 -5.992 1.00 12.31 H new ATOM 1522 N TRP A 98 -2.378 -12.363 -1.987 1.00 70.05 N ATOM 1523 CA TRP A 98 -1.864 -11.572 -3.123 1.00 54.33 C ATOM 1524 C TRP A 98 -1.759 -10.057 -2.837 1.00 52.51 C ATOM 1525 O TRP A 98 -2.603 -9.443 -2.154 1.00 23.30 O ATOM 1526 CB TRP A 98 -2.682 -11.816 -4.407 1.00 1.23 C ATOM 1527 CG TRP A 98 -4.154 -11.521 -4.309 1.00 65.15 C ATOM 1528 CD1 TRP A 98 -4.977 -11.736 -3.242 1.00 31.41 C ATOM 1529 CD2 TRP A 98 -4.983 -10.998 -5.355 1.00 5.21 C ATOM 1530 NE1 TRP A 98 -6.260 -11.361 -3.553 1.00 41.10 N ATOM 1531 CE2 TRP A 98 -6.290 -10.904 -4.844 1.00 70.35 C ATOM 1532 CE3 TRP A 98 -4.744 -10.591 -6.670 1.00 45.21 C ATOM 1533 CZ2 TRP A 98 -7.354 -10.430 -5.605 1.00 10.41 C ATOM 1534 CZ3 TRP A 98 -5.798 -10.113 -7.422 1.00 62.02 C ATOM 1535 CH2 TRP A 98 -7.091 -10.038 -6.888 1.00 72.31 C ATOM 0 HA TRP A 98 -0.846 -11.932 -3.276 1.00 54.33 H new ATOM 0 HB2 TRP A 98 -2.260 -11.206 -5.206 1.00 1.23 H new ATOM 0 HB3 TRP A 98 -2.558 -12.858 -4.702 1.00 1.23 H new ATOM 0 HD1 TRP A 98 -4.664 -12.142 -2.291 1.00 31.41 H new ATOM 0 HE1 TRP A 98 -7.062 -11.414 -2.924 1.00 41.10 H new ATOM 0 HE3 TRP A 98 -3.751 -10.649 -7.091 1.00 45.21 H new ATOM 0 HZ2 TRP A 98 -8.352 -10.374 -5.197 1.00 10.41 H new ATOM 0 HZ3 TRP A 98 -5.623 -9.792 -8.438 1.00 62.02 H new ATOM 0 HH2 TRP A 98 -7.896 -9.663 -7.502 1.00 72.31 H new ATOM 1546 N TYR A 99 -0.697 -9.467 -3.390 1.00 23.33 N ATOM 1547 CA TYR A 99 -0.417 -8.036 -3.264 1.00 25.05 C ATOM 1548 C TYR A 99 -0.611 -7.314 -4.607 1.00 51.30 C ATOM 1549 O TYR A 99 0.026 -7.653 -5.609 1.00 21.32 O ATOM 1550 CB TYR A 99 1.022 -7.819 -2.767 1.00 75.34 C ATOM 1551 CG TYR A 99 1.275 -8.317 -1.355 1.00 54.11 C ATOM 1552 CD1 TYR A 99 1.427 -9.673 -1.087 1.00 41.31 C ATOM 1553 CD2 TYR A 99 1.371 -7.426 -0.291 1.00 74.53 C ATOM 1554 CE1 TYR A 99 1.666 -10.125 0.198 1.00 43.50 C ATOM 1555 CE2 TYR A 99 1.608 -7.870 0.996 1.00 30.34 C ATOM 1556 CZ TYR A 99 1.757 -9.220 1.236 1.00 55.00 C ATOM 1557 OH TYR A 99 1.994 -9.667 2.520 1.00 64.41 O ATOM 0 H TYR A 99 -0.003 -9.972 -3.941 1.00 23.33 H new ATOM 0 HA TYR A 99 -1.119 -7.620 -2.541 1.00 25.05 H new ATOM 0 HB2 TYR A 99 1.709 -8.323 -3.447 1.00 75.34 H new ATOM 0 HB3 TYR A 99 1.253 -6.755 -2.812 1.00 75.34 H new ATOM 0 HD1 TYR A 99 1.357 -10.385 -1.896 1.00 41.31 H new ATOM 0 HD2 TYR A 99 1.258 -6.368 -0.474 1.00 74.53 H new ATOM 0 HE1 TYR A 99 1.781 -11.182 0.388 1.00 43.50 H new ATOM 0 HE2 TYR A 99 1.676 -7.163 1.810 1.00 30.34 H new ATOM 0 HH TYR A 99 2.030 -8.902 3.131 1.00 64.41 H new ATOM 1567 N ILE A 100 -1.489 -6.316 -4.625 1.00 72.22 N ATOM 1568 CA ILE A 100 -1.728 -5.517 -5.830 1.00 73.21 C ATOM 1569 C ILE A 100 -1.074 -4.132 -5.695 1.00 15.53 C ATOM 1570 O ILE A 100 -1.565 -3.267 -4.977 1.00 73.44 O ATOM 1571 CB ILE A 100 -3.244 -5.349 -6.114 1.00 24.13 C ATOM 1572 CG1 ILE A 100 -3.944 -6.718 -6.117 1.00 2.13 C ATOM 1573 CG2 ILE A 100 -3.466 -4.633 -7.448 1.00 45.03 C ATOM 1574 CD1 ILE A 100 -5.429 -6.649 -6.412 1.00 32.14 C ATOM 0 H ILE A 100 -2.049 -6.038 -3.819 1.00 72.22 H new ATOM 0 HA ILE A 100 -1.280 -6.051 -6.668 1.00 73.21 H new ATOM 0 HB ILE A 100 -3.677 -4.739 -5.321 1.00 24.13 H new ATOM 0 HG12 ILE A 100 -3.466 -7.358 -6.859 1.00 2.13 H new ATOM 0 HG13 ILE A 100 -3.798 -7.192 -5.146 1.00 2.13 H new ATOM 0 HG21 ILE A 100 -4.535 -4.525 -7.629 1.00 45.03 H new ATOM 0 HG22 ILE A 100 -3.002 -3.647 -7.413 1.00 45.03 H new ATOM 0 HG23 ILE A 100 -3.019 -5.216 -8.253 1.00 45.03 H new ATOM 0 HD11 ILE A 100 -5.850 -7.654 -6.396 1.00 32.14 H new ATOM 0 HD12 ILE A 100 -5.922 -6.037 -5.657 1.00 32.14 H new ATOM 0 HD13 ILE A 100 -5.584 -6.206 -7.396 1.00 32.14 H new ATOM 1586 N LYS A 101 0.042 -3.928 -6.375 1.00 34.35 N ATOM 1587 CA LYS A 101 0.789 -2.673 -6.271 1.00 10.52 C ATOM 1588 C LYS A 101 0.268 -1.632 -7.275 1.00 41.24 C ATOM 1589 O LYS A 101 0.103 -1.922 -8.456 1.00 24.32 O ATOM 1590 CB LYS A 101 2.284 -2.960 -6.463 1.00 71.33 C ATOM 1591 CG LYS A 101 2.898 -3.699 -5.271 1.00 64.55 C ATOM 1592 CD LYS A 101 4.195 -4.420 -5.624 1.00 14.33 C ATOM 1593 CE LYS A 101 5.241 -3.500 -6.233 1.00 34.32 C ATOM 1594 NZ LYS A 101 6.494 -4.240 -6.528 1.00 3.41 N ATOM 0 H LYS A 101 0.456 -4.613 -7.007 1.00 34.35 H new ATOM 0 HA LYS A 101 0.643 -2.245 -5.279 1.00 10.52 H new ATOM 0 HB2 LYS A 101 2.423 -3.555 -7.366 1.00 71.33 H new ATOM 0 HB3 LYS A 101 2.814 -2.020 -6.616 1.00 71.33 H new ATOM 0 HG2 LYS A 101 3.091 -2.987 -4.469 1.00 64.55 H new ATOM 0 HG3 LYS A 101 2.178 -4.423 -4.889 1.00 64.55 H new ATOM 0 HD2 LYS A 101 4.604 -4.881 -4.725 1.00 14.33 H new ATOM 0 HD3 LYS A 101 3.977 -5.226 -6.324 1.00 14.33 H new ATOM 0 HE2 LYS A 101 4.852 -3.057 -7.150 1.00 34.32 H new ATOM 0 HE3 LYS A 101 5.452 -2.679 -5.547 1.00 34.32 H new ATOM 0 HZ1 LYS A 101 6.978 -3.796 -7.334 1.00 3.41 H new ATOM 0 HZ2 LYS A 101 7.116 -4.216 -5.695 1.00 3.41 H new ATOM 0 HZ3 LYS A 101 6.267 -5.228 -6.762 1.00 3.41 H new ATOM 1608 N ALA A 102 -0.005 -0.423 -6.797 1.00 10.15 N ATOM 1609 CA ALA A 102 -0.645 0.602 -7.625 1.00 34.03 C ATOM 1610 C ALA A 102 0.183 1.888 -7.717 1.00 24.20 C ATOM 1611 O ALA A 102 1.031 2.164 -6.873 1.00 50.55 O ATOM 1612 CB ALA A 102 -2.040 0.911 -7.084 1.00 44.42 C ATOM 0 H ALA A 102 0.205 -0.126 -5.844 1.00 10.15 H new ATOM 0 HA ALA A 102 -0.720 0.200 -8.635 1.00 34.03 H new ATOM 0 HB1 ALA A 102 -2.510 1.674 -7.704 1.00 44.42 H new ATOM 0 HB2 ALA A 102 -2.646 0.005 -7.101 1.00 44.42 H new ATOM 0 HB3 ALA A 102 -1.961 1.275 -6.060 1.00 44.42 H new ATOM 1618 N ASP A 103 -0.074 2.659 -8.768 1.00 21.24 N ATOM 1619 CA ASP A 103 0.563 3.964 -8.959 1.00 21.53 C ATOM 1620 C ASP A 103 0.105 4.974 -7.885 1.00 64.42 C ATOM 1621 O ASP A 103 0.896 5.784 -7.400 1.00 4.43 O ATOM 1622 CB ASP A 103 0.230 4.472 -10.367 1.00 44.12 C ATOM 1623 CG ASP A 103 0.970 5.742 -10.735 1.00 62.44 C ATOM 1624 OD1 ASP A 103 2.197 5.804 -10.519 1.00 24.22 O ATOM 1625 OD2 ASP A 103 0.335 6.669 -11.275 1.00 60.14 O ATOM 0 H ASP A 103 -0.725 2.402 -9.510 1.00 21.24 H new ATOM 0 HA ASP A 103 1.643 3.856 -8.854 1.00 21.53 H new ATOM 0 HB2 ASP A 103 0.472 3.695 -11.093 1.00 44.12 H new ATOM 0 HB3 ASP A 103 -0.843 4.651 -10.437 1.00 44.12 H new ATOM 1630 N ASP A 104 -1.181 4.911 -7.527 1.00 43.41 N ATOM 1631 CA ASP A 104 -1.754 5.754 -6.467 1.00 33.41 C ATOM 1632 C ASP A 104 -3.176 5.290 -6.103 1.00 72.53 C ATOM 1633 O ASP A 104 -3.828 4.577 -6.875 1.00 52.45 O ATOM 1634 CB ASP A 104 -1.771 7.237 -6.885 1.00 3.30 C ATOM 1635 CG ASP A 104 -2.416 8.135 -5.835 1.00 42.45 C ATOM 1636 OD1 ASP A 104 -2.040 8.041 -4.644 1.00 51.25 O ATOM 1637 OD2 ASP A 104 -3.308 8.931 -6.190 1.00 72.54 O ATOM 0 H ASP A 104 -1.854 4.278 -7.960 1.00 43.41 H new ATOM 0 HA ASP A 104 -1.119 5.652 -5.587 1.00 33.41 H new ATOM 0 HB2 ASP A 104 -0.749 7.571 -7.066 1.00 3.30 H new ATOM 0 HB3 ASP A 104 -2.311 7.339 -7.826 1.00 3.30 H new ATOM 1642 N ILE A 105 -3.644 5.700 -4.924 1.00 61.40 N ATOM 1643 CA ILE A 105 -4.978 5.338 -4.431 1.00 63.24 C ATOM 1644 C ILE A 105 -5.839 6.594 -4.205 1.00 0.40 C ATOM 1645 O ILE A 105 -5.477 7.471 -3.423 1.00 54.33 O ATOM 1646 CB ILE A 105 -4.884 4.554 -3.090 1.00 43.11 C ATOM 1647 CG1 ILE A 105 -3.902 3.377 -3.223 1.00 61.55 C ATOM 1648 CG2 ILE A 105 -6.267 4.060 -2.657 1.00 30.33 C ATOM 1649 CD1 ILE A 105 -3.720 2.581 -1.947 1.00 1.05 C ATOM 0 H ILE A 105 -3.113 6.291 -4.284 1.00 61.40 H new ATOM 0 HA ILE A 105 -5.441 4.707 -5.190 1.00 63.24 H new ATOM 0 HB ILE A 105 -4.508 5.229 -2.321 1.00 43.11 H new ATOM 0 HG12 ILE A 105 -4.255 2.709 -4.009 1.00 61.55 H new ATOM 0 HG13 ILE A 105 -2.933 3.760 -3.542 1.00 61.55 H new ATOM 0 HG21 ILE A 105 -6.181 3.514 -1.717 1.00 30.33 H new ATOM 0 HG22 ILE A 105 -6.932 4.913 -2.521 1.00 30.33 H new ATOM 0 HG23 ILE A 105 -6.674 3.401 -3.424 1.00 30.33 H new ATOM 0 HD11 ILE A 105 -3.014 1.770 -2.122 1.00 1.05 H new ATOM 0 HD12 ILE A 105 -3.336 3.233 -1.163 1.00 1.05 H new ATOM 0 HD13 ILE A 105 -4.679 2.166 -1.637 1.00 1.05 H new ATOM 1661 N VAL A 106 -6.978 6.678 -4.887 1.00 44.43 N ATOM 1662 CA VAL A 106 -7.897 7.815 -4.725 1.00 24.31 C ATOM 1663 C VAL A 106 -9.280 7.345 -4.246 1.00 10.22 C ATOM 1664 O VAL A 106 -9.498 6.156 -4.031 1.00 22.42 O ATOM 1665 CB VAL A 106 -8.048 8.619 -6.044 1.00 33.33 C ATOM 1666 CG1 VAL A 106 -6.721 9.267 -6.442 1.00 31.42 C ATOM 1667 CG2 VAL A 106 -8.568 7.726 -7.166 1.00 2.44 C ATOM 0 H VAL A 106 -7.292 5.976 -5.558 1.00 44.43 H new ATOM 0 HA VAL A 106 -7.463 8.469 -3.969 1.00 24.31 H new ATOM 0 HB VAL A 106 -8.776 9.412 -5.874 1.00 33.33 H new ATOM 0 HG11 VAL A 106 -6.852 9.825 -7.369 1.00 31.42 H new ATOM 0 HG12 VAL A 106 -6.396 9.946 -5.653 1.00 31.42 H new ATOM 0 HG13 VAL A 106 -5.967 8.493 -6.588 1.00 31.42 H new ATOM 0 HG21 VAL A 106 -8.666 8.311 -8.081 1.00 2.44 H new ATOM 0 HG22 VAL A 106 -7.869 6.906 -7.332 1.00 2.44 H new ATOM 0 HG23 VAL A 106 -9.541 7.322 -6.888 1.00 2.44 H new ATOM 1677 N LEU A 107 -10.211 8.279 -4.066 1.00 15.41 N ATOM 1678 CA LEU A 107 -11.565 7.943 -3.596 1.00 60.33 C ATOM 1679 C LEU A 107 -12.504 7.586 -4.760 1.00 54.12 C ATOM 1680 O LEU A 107 -12.625 8.337 -5.730 1.00 62.20 O ATOM 1681 CB LEU A 107 -12.147 9.113 -2.788 1.00 15.21 C ATOM 1682 CG LEU A 107 -11.403 9.444 -1.482 1.00 63.33 C ATOM 1683 CD1 LEU A 107 -12.042 10.641 -0.783 1.00 30.52 C ATOM 1684 CD2 LEU A 107 -11.376 8.231 -0.553 1.00 22.51 C ATOM 0 H LEU A 107 -10.059 9.273 -4.236 1.00 15.41 H new ATOM 0 HA LEU A 107 -11.484 7.064 -2.957 1.00 60.33 H new ATOM 0 HB2 LEU A 107 -12.153 10.002 -3.419 1.00 15.21 H new ATOM 0 HB3 LEU A 107 -13.186 8.886 -2.548 1.00 15.21 H new ATOM 0 HG LEU A 107 -10.375 9.705 -1.735 1.00 63.33 H new ATOM 0 HD11 LEU A 107 -11.500 10.857 0.138 1.00 30.52 H new ATOM 0 HD12 LEU A 107 -12.002 11.510 -1.440 1.00 30.52 H new ATOM 0 HD13 LEU A 107 -13.081 10.412 -0.547 1.00 30.52 H new ATOM 0 HD21 LEU A 107 -10.845 8.487 0.364 1.00 22.51 H new ATOM 0 HD22 LEU A 107 -12.397 7.935 -0.311 1.00 22.51 H new ATOM 0 HD23 LEU A 107 -10.866 7.405 -1.048 1.00 22.51 H new ATOM 1696 N THR A 108 -13.171 6.438 -4.653 1.00 61.40 N ATOM 1697 CA THR A 108 -14.123 5.988 -5.679 1.00 55.54 C ATOM 1698 C THR A 108 -15.319 6.935 -5.778 1.00 65.34 C ATOM 1699 O THR A 108 -16.193 6.959 -4.910 1.00 52.15 O ATOM 1700 CB THR A 108 -14.651 4.557 -5.402 1.00 14.35 C ATOM 1701 OG1 THR A 108 -13.558 3.658 -5.186 1.00 41.41 O ATOM 1702 CG2 THR A 108 -15.499 4.049 -6.562 1.00 24.42 C ATOM 0 H THR A 108 -13.072 5.798 -3.865 1.00 61.40 H new ATOM 0 HA THR A 108 -13.572 5.985 -6.620 1.00 55.54 H new ATOM 0 HB THR A 108 -15.272 4.600 -4.507 1.00 14.35 H new ATOM 0 HG1 THR A 108 -13.904 2.758 -5.010 1.00 41.41 H new ATOM 0 HG21 THR A 108 -15.855 3.043 -6.339 1.00 24.42 H new ATOM 0 HG22 THR A 108 -16.352 4.712 -6.707 1.00 24.42 H new ATOM 0 HG23 THR A 108 -14.897 4.028 -7.471 1.00 24.42 H new