USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 625 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 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 80 TYR OH : rot 180:sc= -0.841 USER MOD Single : A 20 MET CE :methyl -162:sc= -0.465 (180deg=-1.21) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 102:sc= -4.28 USER MOD Single : A 29 THR OG1 : rot 65:sc= 1.19 USER MOD Single : A 32 CYS SG : rot 87:sc= -0.0541 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 43 TYR OH : rot 157:sc= -5.03! USER MOD Single : A 45 ASN : amide:sc= -1.38 K(o=-1.4,f=-11!) USER MOD Single : A 48 ASN : amide:sc= -0.168 K(o=-0.17,f=-2!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00585 USER MOD Single : A 51 THR OG1 : rot -45:sc= 0.672 USER MOD Single : A 53 LYS NZ :NH3+ -125:sc= -0.0703 (180deg=-0.811) USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= -1.87 (180deg=-2.59) USER MOD Single : A 58 SER OG : rot 78:sc= 1.11 USER MOD Single : A 60 SER OG : rot 17:sc= 0.00202 USER MOD Single : A 61 SER OG : rot 101:sc= -2.23 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.801 USER MOD Single : A 76 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0668) USER MOD Single : A 86 SER OG : rot 107:sc= 0.194 USER MOD Single : A 89 GLN : amide:sc= -0.159 K(o=-0.16,f=-2!) USER MOD Single : A 90 LYS NZ :NH3+ 157:sc= 0.41 (180deg=-0.0599) USER MOD Single : A 91 TYR OH : rot 10:sc= -0.554 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 260 N ARG A 17 -13.286 -2.128 -0.196 1.00 0.00 N ATOM 261 CA ARG A 17 -12.081 -1.316 -0.065 1.00 0.00 C ATOM 262 C ARG A 17 -11.733 -1.082 1.402 1.00 0.00 C ATOM 263 O ARG A 17 -10.560 -1.009 1.768 1.00 0.00 O ATOM 264 CB ARG A 17 -12.267 0.025 -0.776 1.00 0.00 C ATOM 265 CG ARG A 17 -13.512 0.779 -0.334 1.00 0.00 C ATOM 266 CD ARG A 17 -13.653 2.103 -1.067 1.00 0.00 C ATOM 267 NE ARG A 17 -13.245 3.235 -0.237 1.00 0.00 N ATOM 268 CZ ARG A 17 -13.609 4.494 -0.470 1.00 0.00 C ATOM 269 NH1 ARG A 17 -14.384 4.788 -1.506 1.00 0.00 N ATOM 270 NH2 ARG A 17 -13.196 5.463 0.337 1.00 0.00 N ATOM 0 HA ARG A 17 -11.258 -1.858 -0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.391 0.648 -0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.319 -0.147 -1.851 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.394 0.165 -0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.467 0.960 0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.048 2.082 -1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.689 2.237 -1.378 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.646 3.049 0.568 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.705 4.047 -2.130 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.659 5.755 -1.679 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.600 5.243 1.135 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.474 6.428 0.159 1.00 0.00 H new ATOM 284 N GLU A 18 -12.759 -0.965 2.238 1.00 0.00 N ATOM 285 CA GLU A 18 -12.560 -0.736 3.665 1.00 0.00 C ATOM 286 C GLU A 18 -11.786 -1.887 4.299 1.00 0.00 C ATOM 287 O GLU A 18 -10.859 -1.670 5.078 1.00 0.00 O ATOM 288 CB GLU A 18 -13.909 -0.565 4.367 1.00 0.00 C ATOM 289 CG GLU A 18 -14.809 0.470 3.715 1.00 0.00 C ATOM 290 CD GLU A 18 -15.912 0.949 4.637 1.00 0.00 C ATOM 291 OE1 GLU A 18 -16.705 0.104 5.102 1.00 0.00 O ATOM 292 OE2 GLU A 18 -15.982 2.169 4.896 1.00 0.00 O ATOM 0 H GLU A 18 -13.736 -1.025 1.953 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.977 0.177 3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.425 -1.525 4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.735 -0.280 5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.207 1.323 3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -15.253 0.045 2.815 1.00 0.00 H new ATOM 299 N GLU A 19 -12.173 -3.112 3.961 1.00 0.00 N ATOM 300 CA GLU A 19 -11.516 -4.298 4.498 1.00 0.00 C ATOM 301 C GLU A 19 -10.144 -4.502 3.859 1.00 0.00 C ATOM 302 O GLU A 19 -9.261 -5.125 4.449 1.00 0.00 O ATOM 303 CB GLU A 19 -12.387 -5.535 4.270 1.00 0.00 C ATOM 304 CG GLU A 19 -13.189 -5.950 5.493 1.00 0.00 C ATOM 305 CD GLU A 19 -12.759 -7.297 6.044 1.00 0.00 C ATOM 306 OE1 GLU A 19 -11.553 -7.473 6.309 1.00 0.00 O ATOM 307 OE2 GLU A 19 -13.633 -8.175 6.210 1.00 0.00 O ATOM 0 H GLU A 19 -12.939 -3.310 3.317 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.377 -4.151 5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -13.073 -5.339 3.446 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.751 -6.366 3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.079 -5.192 6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.247 -5.989 5.233 1.00 0.00 H new ATOM 314 N MET A 20 -9.973 -3.978 2.649 1.00 0.00 N ATOM 315 CA MET A 20 -8.709 -4.107 1.931 1.00 0.00 C ATOM 316 C MET A 20 -7.639 -3.199 2.530 1.00 0.00 C ATOM 317 O MET A 20 -6.527 -3.642 2.819 1.00 0.00 O ATOM 318 CB MET A 20 -8.904 -3.779 0.450 1.00 0.00 C ATOM 319 CG MET A 20 -9.651 -4.858 -0.318 1.00 0.00 C ATOM 320 SD MET A 20 -8.664 -6.349 -0.557 1.00 0.00 S ATOM 321 CE MET A 20 -7.265 -5.690 -1.459 1.00 0.00 C ATOM 0 H MET A 20 -10.693 -3.460 2.145 1.00 0.00 H new ATOM 0 HA MET A 20 -8.373 -5.139 2.027 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.449 -2.839 0.363 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.928 -3.625 -0.011 1.00 0.00 H new ATOM 0 HG2 MET A 20 -10.565 -5.114 0.218 1.00 0.00 H new ATOM 0 HG3 MET A 20 -9.951 -4.466 -1.290 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.734 -6.504 -1.953 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.616 -4.979 -2.207 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.591 -5.185 -0.767 1.00 0.00 H new ATOM 331 N VAL A 21 -7.976 -1.925 2.710 1.00 0.00 N ATOM 332 CA VAL A 21 -7.036 -0.961 3.271 1.00 0.00 C ATOM 333 C VAL A 21 -6.563 -1.391 4.654 1.00 0.00 C ATOM 334 O VAL A 21 -5.387 -1.256 4.989 1.00 0.00 O ATOM 335 CB VAL A 21 -7.652 0.448 3.369 1.00 0.00 C ATOM 336 CG1 VAL A 21 -8.010 0.968 1.989 1.00 0.00 C ATOM 337 CG2 VAL A 21 -8.874 0.441 4.276 1.00 0.00 C ATOM 0 H VAL A 21 -8.890 -1.538 2.476 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.185 -0.928 2.591 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.911 1.117 3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.444 1.964 2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.111 1.016 1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.732 0.297 1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.292 1.446 4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.622 -0.242 3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.584 0.114 5.275 1.00 0.00 H new ATOM 347 N LYS A 22 -7.485 -1.908 5.456 1.00 0.00 N ATOM 348 CA LYS A 22 -7.151 -2.354 6.801 1.00 0.00 C ATOM 349 C LYS A 22 -6.100 -3.460 6.757 1.00 0.00 C ATOM 350 O LYS A 22 -5.132 -3.447 7.520 1.00 0.00 O ATOM 351 CB LYS A 22 -8.403 -2.847 7.527 1.00 0.00 C ATOM 352 CG LYS A 22 -9.400 -1.743 7.837 1.00 0.00 C ATOM 353 CD LYS A 22 -8.822 -0.723 8.805 1.00 0.00 C ATOM 354 CE LYS A 22 -9.879 0.263 9.275 1.00 0.00 C ATOM 355 NZ LYS A 22 -9.365 1.659 9.301 1.00 0.00 N ATOM 0 H LYS A 22 -8.465 -2.028 5.200 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.739 -1.506 7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.892 -3.606 6.916 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.107 -3.330 8.458 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.691 -1.244 6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.304 -2.178 8.263 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.396 -1.238 9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.008 -0.182 8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.745 0.208 8.616 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.219 -0.017 10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.117 2.300 9.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.554 1.718 9.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.065 1.936 8.345 1.00 0.00 H new ATOM 369 N LYS A 23 -6.297 -4.413 5.851 1.00 0.00 N ATOM 370 CA LYS A 23 -5.369 -5.527 5.698 1.00 0.00 C ATOM 371 C LYS A 23 -3.967 -5.019 5.382 1.00 0.00 C ATOM 372 O LYS A 23 -2.971 -5.613 5.798 1.00 0.00 O ATOM 373 CB LYS A 23 -5.847 -6.469 4.589 1.00 0.00 C ATOM 374 CG LYS A 23 -6.577 -7.697 5.107 1.00 0.00 C ATOM 375 CD LYS A 23 -5.699 -8.938 5.040 1.00 0.00 C ATOM 376 CE LYS A 23 -6.431 -10.168 5.546 1.00 0.00 C ATOM 377 NZ LYS A 23 -5.792 -11.429 5.079 1.00 0.00 N ATOM 0 H LYS A 23 -7.091 -4.436 5.212 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.336 -6.076 6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.507 -5.920 3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.987 -6.789 4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.891 -7.527 6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.482 -7.858 4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.378 -9.102 4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.799 -8.780 5.633 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.452 -10.154 6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.466 -10.139 5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.323 -12.244 5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.794 -11.455 4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.812 -11.470 5.424 1.00 0.00 H new ATOM 391 N CYS A 24 -3.895 -3.913 4.647 1.00 0.00 N ATOM 392 CA CYS A 24 -2.616 -3.322 4.280 1.00 0.00 C ATOM 393 C CYS A 24 -1.855 -2.879 5.525 1.00 0.00 C ATOM 394 O CYS A 24 -0.635 -3.008 5.596 1.00 0.00 O ATOM 395 CB CYS A 24 -2.828 -2.137 3.331 1.00 0.00 C ATOM 396 SG CYS A 24 -1.367 -1.095 3.088 1.00 0.00 S ATOM 0 H CYS A 24 -4.709 -3.409 4.295 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.022 -4.077 3.764 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.152 -2.518 2.362 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.638 -1.519 3.718 1.00 0.00 H new ATOM 0 HG CYS A 24 -0.813 -1.383 1.948 1.00 0.00 H new ATOM 402 N LEU A 25 -2.584 -2.360 6.507 1.00 0.00 N ATOM 403 CA LEU A 25 -1.973 -1.904 7.748 1.00 0.00 C ATOM 404 C LEU A 25 -1.296 -3.063 8.472 1.00 0.00 C ATOM 405 O LEU A 25 -0.246 -2.894 9.093 1.00 0.00 O ATOM 406 CB LEU A 25 -3.023 -1.262 8.657 1.00 0.00 C ATOM 407 CG LEU A 25 -2.472 -0.242 9.655 1.00 0.00 C ATOM 408 CD1 LEU A 25 -3.341 1.004 9.685 1.00 0.00 C ATOM 409 CD2 LEU A 25 -2.368 -0.858 11.042 1.00 0.00 C ATOM 0 H LEU A 25 -3.597 -2.245 6.467 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.218 -1.158 7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.771 -0.772 8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.535 -2.050 9.210 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.473 0.049 9.332 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.931 1.716 10.401 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.362 1.457 8.694 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.354 0.734 9.981 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.974 -0.119 11.740 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.356 -1.179 11.373 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.699 -1.718 11.009 1.00 0.00 H new ATOM 421 N GLY A 26 -1.906 -4.243 8.385 1.00 0.00 N ATOM 422 CA GLY A 26 -1.346 -5.415 9.034 1.00 0.00 C ATOM 423 C GLY A 26 -0.181 -6.007 8.264 1.00 0.00 C ATOM 424 O GLY A 26 0.906 -6.193 8.813 1.00 0.00 O ATOM 0 H GLY A 26 -2.776 -4.407 7.878 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.015 -5.147 10.037 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.124 -6.170 9.146 1.00 0.00 H new ATOM 428 N GLU A 27 -0.407 -6.306 6.987 1.00 0.00 N ATOM 429 CA GLU A 27 0.631 -6.883 6.138 1.00 0.00 C ATOM 430 C GLU A 27 1.867 -5.990 6.103 1.00 0.00 C ATOM 431 O GLU A 27 2.998 -6.476 6.020 1.00 0.00 O ATOM 432 CB GLU A 27 0.100 -7.095 4.721 1.00 0.00 C ATOM 433 CG GLU A 27 -0.896 -8.239 4.607 1.00 0.00 C ATOM 434 CD GLU A 27 -0.979 -8.802 3.202 1.00 0.00 C ATOM 435 OE1 GLU A 27 -1.248 -8.022 2.265 1.00 0.00 O ATOM 436 OE2 GLU A 27 -0.775 -10.023 3.039 1.00 0.00 O ATOM 0 H GLU A 27 -1.300 -6.158 6.518 1.00 0.00 H new ATOM 0 HA GLU A 27 0.915 -7.847 6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.375 -6.176 4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.939 -7.288 4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.611 -9.034 5.297 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.882 -7.889 4.913 1.00 0.00 H new ATOM 443 N LEU A 28 1.650 -4.682 6.170 1.00 0.00 N ATOM 444 CA LEU A 28 2.752 -3.730 6.150 1.00 0.00 C ATOM 445 C LEU A 28 3.507 -3.746 7.476 1.00 0.00 C ATOM 446 O LEU A 28 4.666 -3.338 7.545 1.00 0.00 O ATOM 447 CB LEU A 28 2.241 -2.321 5.853 1.00 0.00 C ATOM 448 CG LEU A 28 2.091 -1.995 4.367 1.00 0.00 C ATOM 449 CD1 LEU A 28 1.569 -0.582 4.181 1.00 0.00 C ATOM 450 CD2 LEU A 28 3.421 -2.175 3.645 1.00 0.00 C ATOM 0 H LEU A 28 0.725 -4.258 6.238 1.00 0.00 H new ATOM 0 HA LEU A 28 3.439 -4.027 5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.274 -2.190 6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.924 -1.600 6.302 1.00 0.00 H new ATOM 0 HG LEU A 28 1.368 -2.686 3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.469 -0.368 3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.596 -0.487 4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.267 0.126 4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.296 -1.939 2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.165 -1.508 4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.755 -3.207 3.749 1.00 0.00 H new ATOM 462 N THR A 29 2.845 -4.225 8.524 1.00 0.00 N ATOM 463 CA THR A 29 3.456 -4.298 9.845 1.00 0.00 C ATOM 464 C THR A 29 4.566 -5.345 9.870 1.00 0.00 C ATOM 465 O THR A 29 5.702 -5.047 10.238 1.00 0.00 O ATOM 466 CB THR A 29 2.401 -4.632 10.900 1.00 0.00 C ATOM 467 OG1 THR A 29 1.342 -3.691 10.866 1.00 0.00 O ATOM 468 CG2 THR A 29 2.950 -4.654 12.312 1.00 0.00 C ATOM 0 H THR A 29 1.885 -4.568 8.484 1.00 0.00 H new ATOM 0 HA THR A 29 3.891 -3.325 10.073 1.00 0.00 H new ATOM 0 HB THR A 29 2.049 -5.633 10.649 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.875 -3.754 10.007 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.149 -4.897 13.010 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.736 -5.406 12.385 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.361 -3.675 12.558 1.00 0.00 H new ATOM 476 N GLU A 30 4.229 -6.572 9.480 1.00 0.00 N ATOM 477 CA GLU A 30 5.204 -7.660 9.463 1.00 0.00 C ATOM 478 C GLU A 30 6.409 -7.307 8.595 1.00 0.00 C ATOM 479 O GLU A 30 7.553 -7.460 9.023 1.00 0.00 O ATOM 480 CB GLU A 30 4.560 -8.959 8.971 1.00 0.00 C ATOM 481 CG GLU A 30 3.807 -8.816 7.659 1.00 0.00 C ATOM 482 CD GLU A 30 4.683 -9.069 6.447 1.00 0.00 C ATOM 483 OE1 GLU A 30 5.896 -9.304 6.629 1.00 0.00 O ATOM 484 OE2 GLU A 30 4.155 -9.032 5.316 1.00 0.00 O ATOM 0 H GLU A 30 3.293 -6.837 9.173 1.00 0.00 H new ATOM 0 HA GLU A 30 5.552 -7.808 10.485 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.336 -9.715 8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.873 -9.324 9.735 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.970 -9.514 7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.387 -7.812 7.594 1.00 0.00 H new ATOM 491 N VAL A 31 6.153 -6.829 7.379 1.00 0.00 N ATOM 492 CA VAL A 31 7.236 -6.455 6.471 1.00 0.00 C ATOM 493 C VAL A 31 8.151 -5.420 7.120 1.00 0.00 C ATOM 494 O VAL A 31 9.375 -5.499 7.003 1.00 0.00 O ATOM 495 CB VAL A 31 6.699 -5.895 5.138 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.678 -4.807 5.399 1.00 0.00 C ATOM 497 CG2 VAL A 31 7.834 -5.367 4.267 1.00 0.00 C ATOM 0 H VAL A 31 5.215 -6.692 7.002 1.00 0.00 H new ATOM 0 HA VAL A 31 7.802 -7.363 6.261 1.00 0.00 H new ATOM 0 HB VAL A 31 6.214 -6.708 4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.307 -4.421 4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.847 -5.218 5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.144 -3.999 5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.426 -4.979 3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.357 -4.569 4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.532 -6.176 4.049 1.00 0.00 H new ATOM 507 N CYS A 32 7.549 -4.454 7.801 1.00 0.00 N ATOM 508 CA CYS A 32 8.307 -3.405 8.470 1.00 0.00 C ATOM 509 C CYS A 32 9.248 -3.998 9.516 1.00 0.00 C ATOM 510 O CYS A 32 10.429 -3.658 9.569 1.00 0.00 O ATOM 511 CB CYS A 32 7.358 -2.404 9.129 1.00 0.00 C ATOM 512 SG CYS A 32 6.775 -1.101 8.020 1.00 0.00 S ATOM 0 H CYS A 32 6.537 -4.375 7.905 1.00 0.00 H new ATOM 0 HA CYS A 32 8.906 -2.887 7.720 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.497 -2.942 9.524 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.864 -1.944 9.978 1.00 0.00 H new ATOM 0 HG CYS A 32 5.716 -1.512 7.387 1.00 0.00 H new ATOM 518 N LYS A 33 8.713 -4.888 10.348 1.00 0.00 N ATOM 519 CA LYS A 33 9.503 -5.530 11.393 1.00 0.00 C ATOM 520 C LYS A 33 10.645 -6.342 10.791 1.00 0.00 C ATOM 521 O LYS A 33 11.793 -6.229 11.221 1.00 0.00 O ATOM 522 CB LYS A 33 8.615 -6.434 12.249 1.00 0.00 C ATOM 523 CG LYS A 33 7.468 -5.700 12.924 1.00 0.00 C ATOM 524 CD LYS A 33 6.815 -6.557 13.997 1.00 0.00 C ATOM 525 CE LYS A 33 5.585 -5.879 14.579 1.00 0.00 C ATOM 526 NZ LYS A 33 5.281 -6.365 15.954 1.00 0.00 N ATOM 0 H LYS A 33 7.736 -5.180 10.318 1.00 0.00 H new ATOM 0 HA LYS A 33 9.930 -4.749 12.023 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.208 -7.228 11.622 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.228 -6.913 13.013 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.837 -4.776 13.369 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.724 -5.420 12.178 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.534 -7.521 13.573 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.533 -6.756 14.793 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.741 -4.801 14.601 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.728 -6.063 13.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.436 -5.879 16.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.107 -7.390 15.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.088 -6.166 16.579 1.00 0.00 H new ATOM 540 N SER A 34 10.322 -7.159 9.795 1.00 0.00 N ATOM 541 CA SER A 34 11.321 -7.993 9.133 1.00 0.00 C ATOM 542 C SER A 34 12.462 -7.143 8.585 1.00 0.00 C ATOM 543 O SER A 34 13.628 -7.536 8.650 1.00 0.00 O ATOM 544 CB SER A 34 10.677 -8.791 7.998 1.00 0.00 C ATOM 545 OG SER A 34 11.609 -9.681 7.407 1.00 0.00 O ATOM 0 H SER A 34 9.376 -7.262 9.427 1.00 0.00 H new ATOM 0 HA SER A 34 11.728 -8.684 9.871 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.826 -9.353 8.382 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.292 -8.107 7.241 1.00 0.00 H new ATOM 0 HG SER A 34 11.172 -10.180 6.686 1.00 0.00 H new ATOM 551 N LEU A 35 12.121 -5.976 8.050 1.00 0.00 N ATOM 552 CA LEU A 35 13.120 -5.070 7.495 1.00 0.00 C ATOM 553 C LEU A 35 14.075 -4.586 8.581 1.00 0.00 C ATOM 554 O LEU A 35 15.267 -4.397 8.335 1.00 0.00 O ATOM 555 CB LEU A 35 12.438 -3.871 6.830 1.00 0.00 C ATOM 556 CG LEU A 35 11.777 -4.167 5.482 1.00 0.00 C ATOM 557 CD1 LEU A 35 11.079 -2.926 4.944 1.00 0.00 C ATOM 558 CD2 LEU A 35 12.810 -4.677 4.488 1.00 0.00 C ATOM 0 H LEU A 35 11.162 -5.635 7.989 1.00 0.00 H new ATOM 0 HA LEU A 35 13.694 -5.615 6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.682 -3.480 7.510 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.178 -3.083 6.689 1.00 0.00 H new ATOM 0 HG LEU A 35 11.025 -4.943 5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.615 -3.156 3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.313 -2.605 5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.808 -2.127 4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.326 -4.883 3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.583 -3.922 4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.262 -5.592 4.871 1.00 0.00 H new ATOM 570 N GLY A 36 13.542 -4.388 9.783 1.00 0.00 N ATOM 571 CA GLY A 36 14.361 -3.928 10.890 1.00 0.00 C ATOM 572 C GLY A 36 15.307 -4.998 11.401 1.00 0.00 C ATOM 573 O GLY A 36 16.333 -4.689 12.008 1.00 0.00 O ATOM 0 H GLY A 36 12.559 -4.538 10.010 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.938 -3.059 10.573 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.714 -3.601 11.704 1.00 0.00 H new ATOM 577 N LYS A 37 14.962 -6.258 11.158 1.00 0.00 N ATOM 578 CA LYS A 37 15.789 -7.375 11.602 1.00 0.00 C ATOM 579 C LYS A 37 16.968 -7.595 10.655 1.00 0.00 C ATOM 580 O LYS A 37 18.020 -8.081 11.066 1.00 0.00 O ATOM 581 CB LYS A 37 14.950 -8.651 11.694 1.00 0.00 C ATOM 582 CG LYS A 37 13.684 -8.485 12.521 1.00 0.00 C ATOM 583 CD LYS A 37 12.612 -9.480 12.106 1.00 0.00 C ATOM 584 CE LYS A 37 12.533 -10.654 13.071 1.00 0.00 C ATOM 585 NZ LYS A 37 11.190 -10.759 13.706 1.00 0.00 N ATOM 0 H LYS A 37 14.117 -6.531 10.657 1.00 0.00 H new ATOM 0 HA LYS A 37 16.182 -7.132 12.589 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.678 -8.971 10.688 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.557 -9.445 12.128 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.918 -8.620 13.577 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.304 -7.470 12.406 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.646 -8.978 12.063 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.825 -9.847 11.102 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.756 -11.578 12.538 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.293 -10.541 13.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.176 -11.570 14.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.987 -9.887 14.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.467 -10.893 12.970 1.00 0.00 H new ATOM 599 N VAL A 38 16.781 -7.235 9.389 1.00 0.00 N ATOM 600 CA VAL A 38 17.831 -7.397 8.390 1.00 0.00 C ATOM 601 C VAL A 38 18.684 -6.139 8.269 1.00 0.00 C ATOM 602 O VAL A 38 19.892 -6.216 8.051 1.00 0.00 O ATOM 603 CB VAL A 38 17.247 -7.739 7.008 1.00 0.00 C ATOM 604 CG1 VAL A 38 16.727 -9.169 6.985 1.00 0.00 C ATOM 605 CG2 VAL A 38 16.147 -6.758 6.644 1.00 0.00 C ATOM 0 H VAL A 38 15.915 -6.831 9.032 1.00 0.00 H new ATOM 0 HA VAL A 38 18.456 -8.223 8.728 1.00 0.00 H new ATOM 0 HB VAL A 38 18.040 -7.657 6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.318 -9.392 5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.544 -9.857 7.203 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.946 -9.284 7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 38 15.743 -7.012 5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.353 -6.809 7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.555 -5.747 6.618 1.00 0.00 H new ATOM 615 N PHE A 39 18.048 -4.981 8.411 1.00 0.00 N ATOM 616 CA PHE A 39 18.752 -3.706 8.315 1.00 0.00 C ATOM 617 C PHE A 39 19.367 -3.317 9.656 1.00 0.00 C ATOM 618 O PHE A 39 20.370 -2.602 9.703 1.00 0.00 O ATOM 619 CB PHE A 39 17.798 -2.609 7.839 1.00 0.00 C ATOM 620 CG PHE A 39 17.650 -2.552 6.345 1.00 0.00 C ATOM 621 CD1 PHE A 39 18.612 -1.933 5.563 1.00 0.00 C ATOM 622 CD2 PHE A 39 16.549 -3.118 5.724 1.00 0.00 C ATOM 623 CE1 PHE A 39 18.479 -1.879 4.189 1.00 0.00 C ATOM 624 CE2 PHE A 39 16.410 -3.069 4.349 1.00 0.00 C ATOM 625 CZ PHE A 39 17.376 -2.449 3.580 1.00 0.00 C ATOM 0 H PHE A 39 17.048 -4.898 8.593 1.00 0.00 H new ATOM 0 HA PHE A 39 19.557 -3.819 7.589 1.00 0.00 H new ATOM 0 HB2 PHE A 39 16.818 -2.771 8.288 1.00 0.00 H new ATOM 0 HB3 PHE A 39 18.158 -1.645 8.198 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.476 -1.487 6.033 1.00 0.00 H new ATOM 0 HD2 PHE A 39 15.790 -3.603 6.320 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.235 -1.392 3.591 1.00 0.00 H new ATOM 0 HE2 PHE A 39 15.547 -3.515 3.877 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.270 -2.410 2.506 1.00 0.00 H new ATOM 635 N GLY A 40 18.766 -3.792 10.743 1.00 0.00 N ATOM 636 CA GLY A 40 19.275 -3.481 12.065 1.00 0.00 C ATOM 637 C GLY A 40 18.616 -2.259 12.674 1.00 0.00 C ATOM 638 O GLY A 40 19.253 -1.503 13.408 1.00 0.00 O ATOM 0 H GLY A 40 17.937 -4.386 10.731 1.00 0.00 H new ATOM 0 HA2 GLY A 40 19.119 -4.338 12.721 1.00 0.00 H new ATOM 0 HA3 GLY A 40 20.351 -3.317 12.006 1.00 0.00 H new ATOM 642 N VAL A 41 17.336 -2.064 12.372 1.00 0.00 N ATOM 643 CA VAL A 41 16.592 -0.927 12.899 1.00 0.00 C ATOM 644 C VAL A 41 15.344 -1.386 13.645 1.00 0.00 C ATOM 645 O VAL A 41 14.957 -2.552 13.566 1.00 0.00 O ATOM 646 CB VAL A 41 16.180 0.048 11.779 1.00 0.00 C ATOM 647 CG1 VAL A 41 17.373 0.876 11.325 1.00 0.00 C ATOM 648 CG2 VAL A 41 15.568 -0.706 10.609 1.00 0.00 C ATOM 0 H VAL A 41 16.793 -2.679 11.765 1.00 0.00 H new ATOM 0 HA VAL A 41 17.256 -0.409 13.591 1.00 0.00 H new ATOM 0 HB VAL A 41 15.426 0.727 12.176 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.062 1.558 10.534 1.00 0.00 H new ATOM 0 HG12 VAL A 41 17.760 1.449 12.168 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.153 0.214 10.948 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.284 0.001 9.829 1.00 0.00 H new ATOM 0 HG22 VAL A 41 16.296 -1.413 10.211 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.685 -1.247 10.947 1.00 0.00 H new ATOM 658 N HIS A 42 14.721 -0.465 14.372 1.00 0.00 N ATOM 659 CA HIS A 42 13.519 -0.779 15.136 1.00 0.00 C ATOM 660 C HIS A 42 12.284 -0.782 14.241 1.00 0.00 C ATOM 661 O HIS A 42 12.301 -0.235 13.139 1.00 0.00 O ATOM 662 CB HIS A 42 13.335 0.230 16.271 1.00 0.00 C ATOM 663 CG HIS A 42 12.675 -0.349 17.484 1.00 0.00 C ATOM 664 ND1 HIS A 42 13.375 -0.969 18.498 1.00 0.00 N ATOM 665 CD2 HIS A 42 11.371 -0.397 17.845 1.00 0.00 C ATOM 666 CE1 HIS A 42 12.530 -1.376 19.429 1.00 0.00 C ATOM 667 NE2 HIS A 42 11.309 -1.041 19.058 1.00 0.00 N ATOM 0 H HIS A 42 15.028 0.505 14.448 1.00 0.00 H new ATOM 0 HA HIS A 42 13.640 -1.777 15.557 1.00 0.00 H new ATOM 0 HB2 HIS A 42 14.309 0.629 16.553 1.00 0.00 H new ATOM 0 HB3 HIS A 42 12.740 1.068 15.908 1.00 0.00 H new ATOM 0 HD2 HIS A 42 10.536 -0.003 17.285 1.00 0.00 H new ATOM 0 HE1 HIS A 42 12.794 -1.895 20.339 1.00 0.00 H new ATOM 0 HE2 HIS A 42 10.457 -1.229 19.586 1.00 0.00 H new ATOM 676 N TYR A 43 11.214 -1.402 14.726 1.00 0.00 N ATOM 677 CA TYR A 43 9.965 -1.480 13.977 1.00 0.00 C ATOM 678 C TYR A 43 9.402 -0.083 13.715 1.00 0.00 C ATOM 679 O TYR A 43 8.656 0.125 12.757 1.00 0.00 O ATOM 680 CB TYR A 43 8.945 -2.326 14.747 1.00 0.00 C ATOM 681 CG TYR A 43 7.536 -2.248 14.198 1.00 0.00 C ATOM 682 CD1 TYR A 43 7.285 -2.439 12.844 1.00 0.00 C ATOM 683 CD2 TYR A 43 6.458 -1.984 15.035 1.00 0.00 C ATOM 684 CE1 TYR A 43 6.000 -2.368 12.341 1.00 0.00 C ATOM 685 CE2 TYR A 43 5.171 -1.912 14.539 1.00 0.00 C ATOM 686 CZ TYR A 43 4.948 -2.104 13.192 1.00 0.00 C ATOM 687 OH TYR A 43 3.666 -2.034 12.695 1.00 0.00 O ATOM 0 H TYR A 43 11.187 -1.859 15.637 1.00 0.00 H new ATOM 0 HA TYR A 43 10.167 -1.953 13.016 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.270 -3.366 14.737 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.936 -2.005 15.789 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.107 -2.646 12.175 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.630 -1.833 16.090 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.821 -2.519 11.287 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.344 -1.706 15.202 1.00 0.00 H new ATOM 0 HH TYR A 43 3.026 -2.209 13.416 1.00 0.00 H new ATOM 697 N PHE A 44 9.759 0.870 14.570 1.00 0.00 N ATOM 698 CA PHE A 44 9.286 2.243 14.428 1.00 0.00 C ATOM 699 C PHE A 44 10.255 3.084 13.596 1.00 0.00 C ATOM 700 O PHE A 44 10.175 4.313 13.596 1.00 0.00 O ATOM 701 CB PHE A 44 9.087 2.880 15.804 1.00 0.00 C ATOM 702 CG PHE A 44 7.645 3.006 16.204 1.00 0.00 C ATOM 703 CD1 PHE A 44 6.712 3.527 15.322 1.00 0.00 C ATOM 704 CD2 PHE A 44 7.223 2.605 17.461 1.00 0.00 C ATOM 705 CE1 PHE A 44 5.385 3.644 15.686 1.00 0.00 C ATOM 706 CE2 PHE A 44 5.896 2.719 17.830 1.00 0.00 C ATOM 707 CZ PHE A 44 4.975 3.240 16.943 1.00 0.00 C ATOM 0 H PHE A 44 10.374 0.717 15.369 1.00 0.00 H new ATOM 0 HA PHE A 44 8.330 2.214 13.905 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.612 2.284 16.551 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.544 3.869 15.807 1.00 0.00 H new ATOM 0 HD1 PHE A 44 7.026 3.845 14.339 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.939 2.199 18.160 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.668 4.051 14.989 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.579 2.401 18.812 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.938 3.332 17.230 1.00 0.00 H new ATOM 717 N ASN A 45 11.167 2.421 12.889 1.00 0.00 N ATOM 718 CA ASN A 45 12.141 3.120 12.059 1.00 0.00 C ATOM 719 C ASN A 45 11.725 3.087 10.591 1.00 0.00 C ATOM 720 O ASN A 45 12.044 3.998 9.826 1.00 0.00 O ATOM 721 CB ASN A 45 13.529 2.496 12.221 1.00 0.00 C ATOM 722 CG ASN A 45 14.195 2.900 13.522 1.00 0.00 C ATOM 723 OD1 ASN A 45 14.160 2.159 14.505 1.00 0.00 O ATOM 724 ND2 ASN A 45 14.804 4.080 13.534 1.00 0.00 N ATOM 0 H ASN A 45 11.251 1.405 12.875 1.00 0.00 H new ATOM 0 HA ASN A 45 12.179 4.159 12.387 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.443 1.410 12.182 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.160 2.797 11.384 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.268 4.406 14.382 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.807 4.661 12.695 1.00 0.00 H new ATOM 731 N ILE A 46 11.011 2.035 10.204 1.00 0.00 N ATOM 732 CA ILE A 46 10.553 1.889 8.829 1.00 0.00 C ATOM 733 C ILE A 46 9.462 2.905 8.509 1.00 0.00 C ATOM 734 O ILE A 46 9.668 3.821 7.714 1.00 0.00 O ATOM 735 CB ILE A 46 10.009 0.473 8.562 1.00 0.00 C ATOM 736 CG1 ILE A 46 10.988 -0.583 9.082 1.00 0.00 C ATOM 737 CG2 ILE A 46 9.747 0.276 7.075 1.00 0.00 C ATOM 738 CD1 ILE A 46 12.367 -0.478 8.472 1.00 0.00 C ATOM 0 H ILE A 46 10.738 1.272 10.823 1.00 0.00 H new ATOM 0 HA ILE A 46 11.416 2.064 8.187 1.00 0.00 H new ATOM 0 HB ILE A 46 9.065 0.358 9.095 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.070 -0.489 10.165 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.583 -1.574 8.878 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.363 -0.730 6.903 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.014 1.007 6.735 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.676 0.409 6.521 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.008 -1.256 8.886 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.297 -0.602 7.391 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.792 0.500 8.698 1.00 0.00 H new ATOM 750 N PHE A 47 8.304 2.737 9.140 1.00 0.00 N ATOM 751 CA PHE A 47 7.177 3.639 8.932 1.00 0.00 C ATOM 752 C PHE A 47 6.462 3.920 10.250 1.00 0.00 C ATOM 753 O PHE A 47 6.546 3.131 11.193 1.00 0.00 O ATOM 754 CB PHE A 47 6.188 3.040 7.926 1.00 0.00 C ATOM 755 CG PHE A 47 6.655 3.069 6.494 1.00 0.00 C ATOM 756 CD1 PHE A 47 7.550 4.033 6.050 1.00 0.00 C ATOM 757 CD2 PHE A 47 6.191 2.127 5.589 1.00 0.00 C ATOM 758 CE1 PHE A 47 7.971 4.053 4.734 1.00 0.00 C ATOM 759 CE2 PHE A 47 6.609 2.144 4.272 1.00 0.00 C ATOM 760 CZ PHE A 47 7.501 3.109 3.844 1.00 0.00 C ATOM 0 H PHE A 47 8.122 1.982 9.801 1.00 0.00 H new ATOM 0 HA PHE A 47 7.565 4.577 8.534 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.985 2.007 8.207 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.245 3.581 7.998 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.921 4.776 6.741 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.494 1.370 5.917 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.668 4.808 4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.239 1.404 3.578 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.829 3.124 2.815 1.00 0.00 H new ATOM 770 N ASN A 48 5.758 5.044 10.307 1.00 0.00 N ATOM 771 CA ASN A 48 5.024 5.425 11.509 1.00 0.00 C ATOM 772 C ASN A 48 3.561 5.005 11.406 1.00 0.00 C ATOM 773 O ASN A 48 3.076 4.679 10.323 1.00 0.00 O ATOM 774 CB ASN A 48 5.121 6.935 11.735 1.00 0.00 C ATOM 775 CG ASN A 48 6.317 7.318 12.583 1.00 0.00 C ATOM 776 OD1 ASN A 48 6.830 6.508 13.356 1.00 0.00 O ATOM 777 ND2 ASN A 48 6.770 8.558 12.441 1.00 0.00 N ATOM 0 H ASN A 48 5.679 5.707 9.536 1.00 0.00 H new ATOM 0 HA ASN A 48 5.472 4.910 12.359 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.186 7.440 10.771 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.209 7.286 12.218 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.574 8.873 12.984 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.314 9.196 11.789 1.00 0.00 H new ATOM 784 N THR A 49 2.863 5.018 12.537 1.00 0.00 N ATOM 785 CA THR A 49 1.453 4.638 12.573 1.00 0.00 C ATOM 786 C THR A 49 0.659 5.391 11.508 1.00 0.00 C ATOM 787 O THR A 49 -0.225 4.826 10.864 1.00 0.00 O ATOM 788 CB THR A 49 0.864 4.915 13.957 1.00 0.00 C ATOM 789 OG1 THR A 49 1.712 4.411 14.972 1.00 0.00 O ATOM 790 CG2 THR A 49 -0.506 4.303 14.156 1.00 0.00 C ATOM 0 H THR A 49 3.250 5.287 13.442 1.00 0.00 H new ATOM 0 HA THR A 49 1.384 3.570 12.364 1.00 0.00 H new ATOM 0 HB THR A 49 0.773 5.999 14.022 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.319 4.599 15.850 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.867 4.537 15.158 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.197 4.710 13.417 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.442 3.221 14.036 1.00 0.00 H new ATOM 798 N VAL A 50 0.983 6.666 11.330 1.00 0.00 N ATOM 799 CA VAL A 50 0.305 7.497 10.343 1.00 0.00 C ATOM 800 C VAL A 50 0.734 7.122 8.926 1.00 0.00 C ATOM 801 O VAL A 50 -0.033 7.272 7.973 1.00 0.00 O ATOM 802 CB VAL A 50 0.579 8.991 10.582 1.00 0.00 C ATOM 803 CG1 VAL A 50 2.059 9.292 10.422 1.00 0.00 C ATOM 804 CG2 VAL A 50 -0.255 9.850 9.643 1.00 0.00 C ATOM 0 H VAL A 50 1.712 7.147 11.857 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.764 7.317 10.453 1.00 0.00 H new ATOM 0 HB VAL A 50 0.290 9.234 11.604 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.235 10.354 10.595 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.629 8.708 11.144 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.376 9.031 9.412 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.045 10.903 9.830 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.005 9.608 8.610 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.314 9.655 9.815 1.00 0.00 H new ATOM 814 N THR A 51 1.963 6.634 8.795 1.00 0.00 N ATOM 815 CA THR A 51 2.494 6.237 7.495 1.00 0.00 C ATOM 816 C THR A 51 1.813 4.969 6.990 1.00 0.00 C ATOM 817 O THR A 51 1.368 4.905 5.845 1.00 0.00 O ATOM 818 CB THR A 51 4.005 6.015 7.589 1.00 0.00 C ATOM 819 OG1 THR A 51 4.660 7.198 8.012 1.00 0.00 O ATOM 820 CG2 THR A 51 4.631 5.588 6.278 1.00 0.00 C ATOM 0 H THR A 51 2.610 6.504 9.573 1.00 0.00 H new ATOM 0 HA THR A 51 2.292 7.040 6.787 1.00 0.00 H new ATOM 0 HB THR A 51 4.134 5.211 8.313 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.307 7.964 7.512 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.703 5.448 6.415 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.182 4.651 5.949 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.459 6.357 5.525 1.00 0.00 H new ATOM 828 N LEU A 52 1.738 3.959 7.853 1.00 0.00 N ATOM 829 CA LEU A 52 1.116 2.690 7.495 1.00 0.00 C ATOM 830 C LEU A 52 -0.319 2.894 7.020 1.00 0.00 C ATOM 831 O LEU A 52 -0.716 2.377 5.975 1.00 0.00 O ATOM 832 CB LEU A 52 1.137 1.734 8.690 1.00 0.00 C ATOM 833 CG LEU A 52 2.529 1.273 9.127 1.00 0.00 C ATOM 834 CD1 LEU A 52 2.521 0.867 10.593 1.00 0.00 C ATOM 835 CD2 LEU A 52 3.004 0.120 8.257 1.00 0.00 C ATOM 0 H LEU A 52 2.101 3.996 8.806 1.00 0.00 H new ATOM 0 HA LEU A 52 1.689 2.255 6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.651 2.222 9.535 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.541 0.855 8.443 1.00 0.00 H new ATOM 0 HG LEU A 52 3.222 2.105 9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.519 0.542 10.886 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.222 1.718 11.205 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.815 0.049 10.740 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.996 -0.196 8.581 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.309 -0.715 8.348 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.048 0.443 7.217 1.00 0.00 H new ATOM 847 N LYS A 53 -1.095 3.648 7.792 1.00 0.00 N ATOM 848 CA LYS A 53 -2.487 3.913 7.443 1.00 0.00 C ATOM 849 C LYS A 53 -2.589 4.559 6.065 1.00 0.00 C ATOM 850 O LYS A 53 -3.564 4.352 5.345 1.00 0.00 O ATOM 851 CB LYS A 53 -3.139 4.813 8.494 1.00 0.00 C ATOM 852 CG LYS A 53 -2.389 6.110 8.740 1.00 0.00 C ATOM 853 CD LYS A 53 -3.114 6.990 9.745 1.00 0.00 C ATOM 854 CE LYS A 53 -3.099 6.378 11.136 1.00 0.00 C ATOM 855 NZ LYS A 53 -4.333 5.595 11.414 1.00 0.00 N ATOM 0 H LYS A 53 -0.786 4.085 8.660 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.016 2.960 7.417 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.156 5.046 8.179 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.214 4.264 9.433 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.386 5.888 9.106 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.273 6.649 7.800 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.644 7.973 9.774 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.145 7.138 9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.228 5.730 11.238 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.997 7.169 11.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.779 5.947 12.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.996 5.699 10.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.088 4.591 11.532 1.00 0.00 H new ATOM 869 N LYS A 54 -1.574 5.336 5.701 1.00 0.00 N ATOM 870 CA LYS A 54 -1.553 6.002 4.403 1.00 0.00 C ATOM 871 C LYS A 54 -1.504 4.975 3.276 1.00 0.00 C ATOM 872 O LYS A 54 -2.369 4.961 2.399 1.00 0.00 O ATOM 873 CB LYS A 54 -0.359 6.955 4.310 1.00 0.00 C ATOM 874 CG LYS A 54 -0.756 8.424 4.322 1.00 0.00 C ATOM 875 CD LYS A 54 -0.190 9.148 5.533 1.00 0.00 C ATOM 876 CE LYS A 54 -0.468 10.642 5.467 1.00 0.00 C ATOM 877 NZ LYS A 54 -0.391 11.280 6.810 1.00 0.00 N ATOM 0 H LYS A 54 -0.758 5.520 6.284 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.469 6.584 4.300 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.316 6.762 5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.195 6.743 3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.400 8.905 3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.843 8.508 4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.627 8.735 6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.885 8.979 5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.250 11.116 4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.458 10.809 5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.349 12.313 6.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.233 11.024 7.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.463 10.949 7.303 1.00 0.00 H new ATOM 891 N LEU A 55 -0.500 4.103 3.314 1.00 0.00 N ATOM 892 CA LEU A 55 -0.355 3.062 2.302 1.00 0.00 C ATOM 893 C LEU A 55 -1.620 2.211 2.209 1.00 0.00 C ATOM 894 O LEU A 55 -1.888 1.588 1.182 1.00 0.00 O ATOM 895 CB LEU A 55 0.848 2.165 2.618 1.00 0.00 C ATOM 896 CG LEU A 55 2.192 2.638 2.056 1.00 0.00 C ATOM 897 CD1 LEU A 55 2.585 3.993 2.623 1.00 0.00 C ATOM 898 CD2 LEU A 55 3.275 1.609 2.344 1.00 0.00 C ATOM 0 H LEU A 55 0.223 4.097 4.033 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.191 3.552 1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.938 2.077 3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.645 1.166 2.233 1.00 0.00 H new ATOM 0 HG LEU A 55 2.084 2.747 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.543 4.299 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.824 4.730 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.670 3.923 3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.225 1.958 1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.368 1.471 3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.009 0.660 1.878 1.00 0.00 H new ATOM 910 N ALA A 56 -2.393 2.186 3.293 1.00 0.00 N ATOM 911 CA ALA A 56 -3.627 1.409 3.336 1.00 0.00 C ATOM 912 C ALA A 56 -4.778 2.153 2.668 1.00 0.00 C ATOM 913 O ALA A 56 -5.324 1.696 1.665 1.00 0.00 O ATOM 914 CB ALA A 56 -3.982 1.069 4.776 1.00 0.00 C ATOM 0 H ALA A 56 -2.186 2.695 4.152 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.462 0.485 2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.905 0.489 4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.177 0.485 5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.119 1.989 5.344 1.00 0.00 H new ATOM 920 N GLU A 57 -5.146 3.299 3.235 1.00 0.00 N ATOM 921 CA GLU A 57 -6.239 4.106 2.697 1.00 0.00 C ATOM 922 C GLU A 57 -6.110 4.275 1.184 1.00 0.00 C ATOM 923 O GLU A 57 -7.108 4.419 0.479 1.00 0.00 O ATOM 924 CB GLU A 57 -6.268 5.480 3.371 1.00 0.00 C ATOM 925 CG GLU A 57 -6.139 5.419 4.885 1.00 0.00 C ATOM 926 CD GLU A 57 -7.264 6.145 5.597 1.00 0.00 C ATOM 927 OE1 GLU A 57 -8.438 5.777 5.381 1.00 0.00 O ATOM 928 OE2 GLU A 57 -6.970 7.083 6.369 1.00 0.00 O ATOM 0 H GLU A 57 -4.704 3.690 4.067 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.172 3.583 2.906 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.458 6.089 2.970 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.201 5.982 3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.126 4.376 5.203 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.185 5.855 5.182 1.00 0.00 H new ATOM 935 N SER A 58 -4.874 4.259 0.696 1.00 0.00 N ATOM 936 CA SER A 58 -4.614 4.412 -0.731 1.00 0.00 C ATOM 937 C SER A 58 -4.852 3.099 -1.471 1.00 0.00 C ATOM 938 O SER A 58 -5.481 3.077 -2.529 1.00 0.00 O ATOM 939 CB SER A 58 -3.179 4.888 -0.962 1.00 0.00 C ATOM 940 OG SER A 58 -2.872 6.002 -0.141 1.00 0.00 O ATOM 0 H SER A 58 -4.037 4.142 1.267 1.00 0.00 H new ATOM 0 HA SER A 58 -5.304 5.159 -1.122 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.485 4.075 -0.751 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.046 5.157 -2.010 1.00 0.00 H new ATOM 0 HG SER A 58 -2.687 5.695 0.771 1.00 0.00 H new ATOM 946 N LEU A 59 -4.345 2.007 -0.908 1.00 0.00 N ATOM 947 CA LEU A 59 -4.503 0.690 -1.513 1.00 0.00 C ATOM 948 C LEU A 59 -3.828 0.632 -2.880 1.00 0.00 C ATOM 949 O LEU A 59 -4.264 -0.101 -3.766 1.00 0.00 O ATOM 950 CB LEU A 59 -5.987 0.340 -1.646 1.00 0.00 C ATOM 951 CG LEU A 59 -6.334 -1.124 -1.362 1.00 0.00 C ATOM 952 CD1 LEU A 59 -7.577 -1.224 -0.487 1.00 0.00 C ATOM 953 CD2 LEU A 59 -6.535 -1.888 -2.664 1.00 0.00 C ATOM 0 H LEU A 59 -3.821 2.009 -0.033 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.023 -0.040 -0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.556 0.972 -0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.314 0.586 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.500 -1.574 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.805 -2.273 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.397 -0.715 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.419 -0.756 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.781 -2.927 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.349 -1.435 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.619 -1.850 -3.253 1.00 0.00 H new ATOM 965 N SER A 60 -2.762 1.408 -3.043 1.00 0.00 N ATOM 966 CA SER A 60 -2.029 1.441 -4.304 1.00 0.00 C ATOM 967 C SER A 60 -0.525 1.485 -4.056 1.00 0.00 C ATOM 968 O SER A 60 -0.035 2.330 -3.308 1.00 0.00 O ATOM 969 CB SER A 60 -2.456 2.653 -5.136 1.00 0.00 C ATOM 970 OG SER A 60 -3.691 2.413 -5.789 1.00 0.00 O ATOM 0 H SER A 60 -2.387 2.021 -2.320 1.00 0.00 H new ATOM 0 HA SER A 60 -2.263 0.530 -4.856 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.546 3.527 -4.491 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.688 2.879 -5.875 1.00 0.00 H new ATOM 0 HG SER A 60 -4.138 1.648 -5.371 1.00 0.00 H new ATOM 976 N SER A 61 0.202 0.572 -4.690 1.00 0.00 N ATOM 977 CA SER A 61 1.651 0.511 -4.536 1.00 0.00 C ATOM 978 C SER A 61 2.342 1.416 -5.551 1.00 0.00 C ATOM 979 O SER A 61 2.753 0.964 -6.620 1.00 0.00 O ATOM 980 CB SER A 61 2.142 -0.931 -4.696 1.00 0.00 C ATOM 981 OG SER A 61 1.098 -1.785 -5.131 1.00 0.00 O ATOM 0 H SER A 61 -0.187 -0.135 -5.314 1.00 0.00 H new ATOM 0 HA SER A 61 1.903 0.861 -3.535 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.962 -0.961 -5.414 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.537 -1.291 -3.746 1.00 0.00 H new ATOM 0 HG SER A 61 1.188 -1.947 -6.093 1.00 0.00 H new ATOM 987 N ASP A 62 2.467 2.694 -5.209 1.00 0.00 N ATOM 988 CA ASP A 62 3.110 3.661 -6.091 1.00 0.00 C ATOM 989 C ASP A 62 4.247 4.385 -5.372 1.00 0.00 C ATOM 990 O ASP A 62 4.159 4.657 -4.177 1.00 0.00 O ATOM 991 CB ASP A 62 2.084 4.675 -6.604 1.00 0.00 C ATOM 992 CG ASP A 62 1.948 4.648 -8.114 1.00 0.00 C ATOM 993 OD1 ASP A 62 2.878 5.118 -8.803 1.00 0.00 O ATOM 994 OD2 ASP A 62 0.910 4.158 -8.607 1.00 0.00 O ATOM 0 H ASP A 62 2.132 3.084 -4.328 1.00 0.00 H new ATOM 0 HA ASP A 62 3.530 3.119 -6.939 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.115 4.467 -6.151 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.376 5.676 -6.286 1.00 0.00 H new ATOM 999 N PRO A 63 5.334 4.709 -6.096 1.00 0.00 N ATOM 1000 CA PRO A 63 6.484 5.405 -5.522 1.00 0.00 C ATOM 1001 C PRO A 63 6.190 6.880 -5.274 1.00 0.00 C ATOM 1002 O PRO A 63 6.344 7.376 -4.158 1.00 0.00 O ATOM 1003 CB PRO A 63 7.586 5.246 -6.582 1.00 0.00 C ATOM 1004 CG PRO A 63 7.022 4.350 -7.639 1.00 0.00 C ATOM 1005 CD PRO A 63 5.528 4.434 -7.522 1.00 0.00 C ATOM 0 HA PRO A 63 6.762 4.995 -4.551 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.866 6.213 -7.000 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.487 4.814 -6.146 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.351 4.665 -8.629 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.364 3.324 -7.500 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.116 5.226 -8.147 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.045 3.505 -7.825 1.00 0.00 H new ATOM 1013 N GLU A 64 5.758 7.577 -6.322 1.00 0.00 N ATOM 1014 CA GLU A 64 5.433 8.994 -6.214 1.00 0.00 C ATOM 1015 C GLU A 64 4.344 9.212 -5.171 1.00 0.00 C ATOM 1016 O GLU A 64 4.388 10.171 -4.399 1.00 0.00 O ATOM 1017 CB GLU A 64 4.976 9.542 -7.568 1.00 0.00 C ATOM 1018 CG GLU A 64 3.883 8.713 -8.222 1.00 0.00 C ATOM 1019 CD GLU A 64 2.521 9.374 -8.141 1.00 0.00 C ATOM 1020 OE1 GLU A 64 2.198 9.940 -7.076 1.00 0.00 O ATOM 1021 OE2 GLU A 64 1.777 9.327 -9.144 1.00 0.00 O ATOM 0 H GLU A 64 5.626 7.183 -7.254 1.00 0.00 H new ATOM 0 HA GLU A 64 6.330 9.529 -5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.616 10.562 -7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.834 9.591 -8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.138 8.543 -9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.837 7.736 -7.742 1.00 0.00 H new ATOM 1028 N VAL A 65 3.373 8.305 -5.148 1.00 0.00 N ATOM 1029 CA VAL A 65 2.275 8.384 -4.196 1.00 0.00 C ATOM 1030 C VAL A 65 2.773 8.108 -2.784 1.00 0.00 C ATOM 1031 O VAL A 65 2.256 8.658 -1.810 1.00 0.00 O ATOM 1032 CB VAL A 65 1.160 7.375 -4.539 1.00 0.00 C ATOM 1033 CG1 VAL A 65 -0.036 7.566 -3.622 1.00 0.00 C ATOM 1034 CG2 VAL A 65 0.750 7.506 -5.997 1.00 0.00 C ATOM 0 H VAL A 65 3.326 7.506 -5.780 1.00 0.00 H new ATOM 0 HA VAL A 65 1.868 9.394 -4.254 1.00 0.00 H new ATOM 0 HB VAL A 65 1.548 6.368 -4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.811 6.845 -3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.271 7.414 -2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.427 8.577 -3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.037 6.786 -6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.382 8.515 -6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.611 7.311 -6.636 1.00 0.00 H new ATOM 1044 N LEU A 66 3.783 7.251 -2.682 1.00 0.00 N ATOM 1045 CA LEU A 66 4.359 6.896 -1.394 1.00 0.00 C ATOM 1046 C LEU A 66 5.256 8.014 -0.872 1.00 0.00 C ATOM 1047 O LEU A 66 5.408 8.189 0.338 1.00 0.00 O ATOM 1048 CB LEU A 66 5.154 5.597 -1.509 1.00 0.00 C ATOM 1049 CG LEU A 66 4.315 4.320 -1.470 1.00 0.00 C ATOM 1050 CD1 LEU A 66 5.074 3.156 -2.089 1.00 0.00 C ATOM 1051 CD2 LEU A 66 3.919 3.997 -0.041 1.00 0.00 C ATOM 0 H LEU A 66 4.220 6.789 -3.480 1.00 0.00 H new ATOM 0 HA LEU A 66 3.543 6.751 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.718 5.615 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.881 5.561 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 66 3.410 4.484 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.458 2.258 -2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.312 3.388 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.997 2.987 -1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.322 3.085 -0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.816 3.853 0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.335 4.820 0.370 1.00 0.00 H new ATOM 1063 N LEU A 67 5.851 8.768 -1.791 1.00 0.00 N ATOM 1064 CA LEU A 67 6.734 9.869 -1.424 1.00 0.00 C ATOM 1065 C LEU A 67 5.956 10.976 -0.721 1.00 0.00 C ATOM 1066 O LEU A 67 6.457 11.604 0.215 1.00 0.00 O ATOM 1067 CB LEU A 67 7.429 10.430 -2.667 1.00 0.00 C ATOM 1068 CG LEU A 67 8.777 11.103 -2.407 1.00 0.00 C ATOM 1069 CD1 LEU A 67 8.641 12.177 -1.337 1.00 0.00 C ATOM 1070 CD2 LEU A 67 9.818 10.071 -2.000 1.00 0.00 C ATOM 0 H LEU A 67 5.737 8.636 -2.796 1.00 0.00 H new ATOM 0 HA LEU A 67 7.488 9.484 -0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.577 9.618 -3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.765 11.153 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 67 9.108 11.579 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.611 12.645 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.927 12.932 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.288 11.725 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.771 10.568 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.493 9.566 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.936 9.339 -2.799 1.00 0.00 H new ATOM 1082 N GLN A 68 4.730 11.211 -1.175 1.00 0.00 N ATOM 1083 CA GLN A 68 3.880 12.242 -0.589 1.00 0.00 C ATOM 1084 C GLN A 68 3.378 11.831 0.796 1.00 0.00 C ATOM 1085 O GLN A 68 2.797 12.642 1.519 1.00 0.00 O ATOM 1086 CB GLN A 68 2.690 12.531 -1.507 1.00 0.00 C ATOM 1087 CG GLN A 68 3.081 13.194 -2.818 1.00 0.00 C ATOM 1088 CD GLN A 68 2.802 14.685 -2.822 1.00 0.00 C ATOM 1089 OE1 GLN A 68 3.721 15.500 -2.739 1.00 0.00 O ATOM 1090 NE2 GLN A 68 1.529 15.050 -2.919 1.00 0.00 N ATOM 0 H GLN A 68 4.302 10.701 -1.948 1.00 0.00 H new ATOM 0 HA GLN A 68 4.481 13.145 -0.479 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.172 11.596 -1.722 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.983 13.173 -0.981 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.142 13.026 -3.004 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.535 12.724 -3.636 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.799 14.341 -2.986 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.281 16.039 -2.927 1.00 0.00 H new ATOM 1099 N ILE A 69 3.604 10.572 1.164 1.00 0.00 N ATOM 1100 CA ILE A 69 3.173 10.069 2.463 1.00 0.00 C ATOM 1101 C ILE A 69 3.911 10.777 3.594 1.00 0.00 C ATOM 1102 O ILE A 69 5.111 11.032 3.500 1.00 0.00 O ATOM 1103 CB ILE A 69 3.407 8.550 2.587 1.00 0.00 C ATOM 1104 CG1 ILE A 69 2.826 7.815 1.375 1.00 0.00 C ATOM 1105 CG2 ILE A 69 2.796 8.021 3.878 1.00 0.00 C ATOM 1106 CD1 ILE A 69 1.314 7.812 1.329 1.00 0.00 C ATOM 0 H ILE A 69 4.082 9.884 0.582 1.00 0.00 H new ATOM 0 HA ILE A 69 2.105 10.271 2.542 1.00 0.00 H new ATOM 0 HB ILE A 69 4.481 8.368 2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.207 8.278 0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.182 6.785 1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.970 6.947 3.950 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.256 8.521 4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.723 8.215 3.879 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.978 7.273 0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.924 7.322 2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.949 8.838 1.290 1.00 0.00 H new ATOM 1118 N ASP A 70 3.186 11.090 4.662 1.00 0.00 N ATOM 1119 CA ASP A 70 3.774 11.771 5.811 1.00 0.00 C ATOM 1120 C ASP A 70 4.767 10.862 6.529 1.00 0.00 C ATOM 1121 O ASP A 70 4.380 9.883 7.165 1.00 0.00 O ATOM 1122 CB ASP A 70 2.679 12.217 6.782 1.00 0.00 C ATOM 1123 CG ASP A 70 2.951 13.589 7.368 1.00 0.00 C ATOM 1124 OD1 ASP A 70 4.111 13.852 7.750 1.00 0.00 O ATOM 1125 OD2 ASP A 70 2.005 14.400 7.446 1.00 0.00 O ATOM 0 H ASP A 70 2.192 10.884 4.757 1.00 0.00 H new ATOM 0 HA ASP A 70 4.307 12.650 5.449 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.720 12.230 6.263 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.595 11.490 7.590 1.00 0.00 H new ATOM 1130 N GLY A 71 6.050 11.196 6.422 1.00 0.00 N ATOM 1131 CA GLY A 71 7.080 10.401 7.068 1.00 0.00 C ATOM 1132 C GLY A 71 7.914 9.616 6.075 1.00 0.00 C ATOM 1133 O GLY A 71 9.082 9.326 6.330 1.00 0.00 O ATOM 0 H GLY A 71 6.395 12.002 5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.731 11.056 7.647 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.614 9.711 7.772 1.00 0.00 H new ATOM 1137 N VAL A 72 7.314 9.272 4.939 1.00 0.00 N ATOM 1138 CA VAL A 72 8.011 8.515 3.906 1.00 0.00 C ATOM 1139 C VAL A 72 8.848 9.433 3.022 1.00 0.00 C ATOM 1140 O VAL A 72 8.350 10.426 2.492 1.00 0.00 O ATOM 1141 CB VAL A 72 7.027 7.729 3.022 1.00 0.00 C ATOM 1142 CG1 VAL A 72 7.777 6.818 2.063 1.00 0.00 C ATOM 1143 CG2 VAL A 72 6.059 6.929 3.880 1.00 0.00 C ATOM 0 H VAL A 72 6.348 9.506 4.711 1.00 0.00 H new ATOM 0 HA VAL A 72 8.666 7.812 4.420 1.00 0.00 H new ATOM 0 HB VAL A 72 6.451 8.442 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.063 6.271 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.424 7.417 1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.382 6.111 2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.371 6.380 3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.617 6.226 4.499 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.494 7.607 4.520 1.00 0.00 H new ATOM 1153 N THR A 73 10.123 9.093 2.866 1.00 0.00 N ATOM 1154 CA THR A 73 11.032 9.883 2.043 1.00 0.00 C ATOM 1155 C THR A 73 11.630 9.033 0.927 1.00 0.00 C ATOM 1156 O THR A 73 11.319 7.848 0.803 1.00 0.00 O ATOM 1157 CB THR A 73 12.149 10.475 2.904 1.00 0.00 C ATOM 1158 OG1 THR A 73 12.493 9.590 3.957 1.00 0.00 O ATOM 1159 CG2 THR A 73 11.787 11.807 3.523 1.00 0.00 C ATOM 0 H THR A 73 10.551 8.275 3.299 1.00 0.00 H new ATOM 0 HA THR A 73 10.462 10.695 1.592 1.00 0.00 H new ATOM 0 HB THR A 73 12.988 10.626 2.224 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.210 9.985 4.495 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.623 12.170 4.120 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.565 12.526 2.735 1.00 0.00 H new ATOM 0 HG23 THR A 73 10.911 11.686 4.161 1.00 0.00 H new ATOM 1167 N GLU A 74 12.488 9.644 0.119 1.00 0.00 N ATOM 1168 CA GLU A 74 13.128 8.941 -0.987 1.00 0.00 C ATOM 1169 C GLU A 74 13.958 7.768 -0.475 1.00 0.00 C ATOM 1170 O GLU A 74 13.845 6.650 -0.977 1.00 0.00 O ATOM 1171 CB GLU A 74 14.017 9.899 -1.782 1.00 0.00 C ATOM 1172 CG GLU A 74 13.264 11.088 -2.358 1.00 0.00 C ATOM 1173 CD GLU A 74 13.544 12.375 -1.605 1.00 0.00 C ATOM 1174 OE1 GLU A 74 13.736 12.310 -0.372 1.00 0.00 O ATOM 1175 OE2 GLU A 74 13.569 13.445 -2.247 1.00 0.00 O ATOM 0 H GLU A 74 12.757 10.624 0.208 1.00 0.00 H new ATOM 0 HA GLU A 74 12.346 8.555 -1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.815 10.263 -1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.492 9.351 -2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.540 11.216 -3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.194 10.882 -2.334 1.00 0.00 H new ATOM 1182 N ASP A 75 14.791 8.030 0.528 1.00 0.00 N ATOM 1183 CA ASP A 75 15.640 6.996 1.108 1.00 0.00 C ATOM 1184 C ASP A 75 14.803 5.840 1.649 1.00 0.00 C ATOM 1185 O ASP A 75 15.203 4.678 1.564 1.00 0.00 O ATOM 1186 CB ASP A 75 16.502 7.583 2.227 1.00 0.00 C ATOM 1187 CG ASP A 75 15.693 8.417 3.201 1.00 0.00 C ATOM 1188 OD1 ASP A 75 15.380 9.579 2.871 1.00 0.00 O ATOM 1189 OD2 ASP A 75 15.373 7.907 4.296 1.00 0.00 O ATOM 0 H ASP A 75 14.896 8.950 0.956 1.00 0.00 H new ATOM 0 HA ASP A 75 16.289 6.612 0.321 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.993 6.773 2.767 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.289 8.199 1.791 1.00 0.00 H new ATOM 1194 N LYS A 76 13.641 6.167 2.204 1.00 0.00 N ATOM 1195 CA LYS A 76 12.749 5.154 2.759 1.00 0.00 C ATOM 1196 C LYS A 76 12.060 4.368 1.650 1.00 0.00 C ATOM 1197 O LYS A 76 11.783 3.178 1.797 1.00 0.00 O ATOM 1198 CB LYS A 76 11.701 5.806 3.662 1.00 0.00 C ATOM 1199 CG LYS A 76 12.297 6.691 4.746 1.00 0.00 C ATOM 1200 CD LYS A 76 12.286 6.002 6.103 1.00 0.00 C ATOM 1201 CE LYS A 76 11.750 6.919 7.191 1.00 0.00 C ATOM 1202 NZ LYS A 76 12.560 8.161 7.323 1.00 0.00 N ATOM 0 H LYS A 76 13.295 7.123 2.282 1.00 0.00 H new ATOM 0 HA LYS A 76 13.350 4.463 3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.025 6.402 3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.101 5.026 4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.321 6.954 4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.734 7.622 4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.673 5.102 6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.297 5.685 6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.716 7.182 6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.744 6.387 8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.293 8.658 8.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.570 7.915 7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.384 8.779 6.505 1.00 0.00 H new ATOM 1216 N LEU A 77 11.783 5.043 0.538 1.00 0.00 N ATOM 1217 CA LEU A 77 11.123 4.409 -0.598 1.00 0.00 C ATOM 1218 C LEU A 77 12.135 3.724 -1.516 1.00 0.00 C ATOM 1219 O LEU A 77 11.766 2.899 -2.351 1.00 0.00 O ATOM 1220 CB LEU A 77 10.318 5.445 -1.386 1.00 0.00 C ATOM 1221 CG LEU A 77 8.994 4.939 -1.964 1.00 0.00 C ATOM 1222 CD1 LEU A 77 9.235 3.771 -2.908 1.00 0.00 C ATOM 1223 CD2 LEU A 77 8.041 4.537 -0.848 1.00 0.00 C ATOM 0 H LEU A 77 12.005 6.029 0.400 1.00 0.00 H new ATOM 0 HA LEU A 77 10.447 3.647 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.111 6.293 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.935 5.816 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 77 8.535 5.749 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.282 3.425 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.878 4.092 -3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.717 2.958 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.106 4.180 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.492 3.743 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.841 5.399 -0.212 1.00 0.00 H new ATOM 1235 N GLU A 78 13.410 4.066 -1.359 1.00 0.00 N ATOM 1236 CA GLU A 78 14.460 3.476 -2.178 1.00 0.00 C ATOM 1237 C GLU A 78 15.038 2.232 -1.508 1.00 0.00 C ATOM 1238 O GLU A 78 15.503 1.311 -2.179 1.00 0.00 O ATOM 1239 CB GLU A 78 15.574 4.494 -2.434 1.00 0.00 C ATOM 1240 CG GLU A 78 16.214 4.363 -3.805 1.00 0.00 C ATOM 1241 CD GLU A 78 16.739 5.683 -4.332 1.00 0.00 C ATOM 1242 OE1 GLU A 78 15.917 6.583 -4.608 1.00 0.00 O ATOM 1243 OE2 GLU A 78 17.973 5.819 -4.472 1.00 0.00 O ATOM 0 H GLU A 78 13.739 4.747 -0.674 1.00 0.00 H new ATOM 0 HA GLU A 78 14.019 3.184 -3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.167 5.500 -2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.343 4.378 -1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 78 17.033 3.646 -3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.483 3.961 -4.506 1.00 0.00 H new ATOM 1250 N LYS A 79 15.012 2.215 -0.178 1.00 0.00 N ATOM 1251 CA LYS A 79 15.538 1.087 0.583 1.00 0.00 C ATOM 1252 C LYS A 79 14.428 0.114 0.975 1.00 0.00 C ATOM 1253 O LYS A 79 14.479 -1.068 0.637 1.00 0.00 O ATOM 1254 CB LYS A 79 16.256 1.588 1.837 1.00 0.00 C ATOM 1255 CG LYS A 79 17.474 0.759 2.211 1.00 0.00 C ATOM 1256 CD LYS A 79 18.203 1.348 3.409 1.00 0.00 C ATOM 1257 CE LYS A 79 17.381 1.219 4.681 1.00 0.00 C ATOM 1258 NZ LYS A 79 17.425 2.462 5.500 1.00 0.00 N ATOM 0 H LYS A 79 14.632 2.969 0.394 1.00 0.00 H new ATOM 0 HA LYS A 79 16.246 0.556 -0.053 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.564 2.622 1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.555 1.587 2.672 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.165 -0.262 2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.154 0.705 1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 79 19.159 0.841 3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.423 2.399 3.222 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.347 0.991 4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.755 0.382 5.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.852 2.333 6.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.409 2.667 5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.045 3.256 4.946 1.00 0.00 H new ATOM 1272 N TYR A 80 13.432 0.616 1.699 1.00 0.00 N ATOM 1273 CA TYR A 80 12.317 -0.214 2.146 1.00 0.00 C ATOM 1274 C TYR A 80 11.258 -0.360 1.058 1.00 0.00 C ATOM 1275 O TYR A 80 10.524 -1.347 1.026 1.00 0.00 O ATOM 1276 CB TYR A 80 11.687 0.381 3.407 1.00 0.00 C ATOM 1277 CG TYR A 80 12.655 0.507 4.562 1.00 0.00 C ATOM 1278 CD1 TYR A 80 13.444 -0.568 4.953 1.00 0.00 C ATOM 1279 CD2 TYR A 80 12.779 1.701 5.261 1.00 0.00 C ATOM 1280 CE1 TYR A 80 14.329 -0.456 6.007 1.00 0.00 C ATOM 1281 CE2 TYR A 80 13.661 1.822 6.317 1.00 0.00 C ATOM 1282 CZ TYR A 80 14.435 0.741 6.685 1.00 0.00 C ATOM 1283 OH TYR A 80 15.316 0.857 7.736 1.00 0.00 O ATOM 0 H TYR A 80 13.374 1.592 1.989 1.00 0.00 H new ATOM 0 HA TYR A 80 12.711 -1.205 2.371 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.284 1.366 3.172 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.847 -0.243 3.713 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.364 -1.506 4.424 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.175 2.549 4.974 1.00 0.00 H new ATOM 0 HE1 TYR A 80 14.935 -1.301 6.299 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.744 2.757 6.851 1.00 0.00 H new ATOM 0 HH TYR A 80 15.269 1.764 8.104 1.00 0.00 H new ATOM 1293 N GLY A 81 11.178 0.629 0.171 1.00 0.00 N ATOM 1294 CA GLY A 81 10.198 0.589 -0.902 1.00 0.00 C ATOM 1295 C GLY A 81 10.162 -0.747 -1.621 1.00 0.00 C ATOM 1296 O GLY A 81 9.131 -1.138 -2.167 1.00 0.00 O ATOM 0 H GLY A 81 11.774 1.457 0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.210 0.802 -0.493 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.422 1.377 -1.621 1.00 0.00 H new ATOM 1300 N ALA A 82 11.292 -1.447 -1.624 1.00 0.00 N ATOM 1301 CA ALA A 82 11.383 -2.744 -2.283 1.00 0.00 C ATOM 1302 C ALA A 82 10.609 -3.810 -1.513 1.00 0.00 C ATOM 1303 O ALA A 82 10.132 -4.784 -2.094 1.00 0.00 O ATOM 1304 CB ALA A 82 12.840 -3.156 -2.438 1.00 0.00 C ATOM 0 H ALA A 82 12.156 -1.138 -1.178 1.00 0.00 H new ATOM 0 HA ALA A 82 10.935 -2.652 -3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.893 -4.126 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.366 -2.414 -3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.306 -3.223 -1.455 1.00 0.00 H new ATOM 1310 N GLU A 83 10.491 -3.621 -0.202 1.00 0.00 N ATOM 1311 CA GLU A 83 9.776 -4.570 0.644 1.00 0.00 C ATOM 1312 C GLU A 83 8.334 -4.127 0.877 1.00 0.00 C ATOM 1313 O GLU A 83 7.394 -4.852 0.546 1.00 0.00 O ATOM 1314 CB GLU A 83 10.498 -4.738 1.982 1.00 0.00 C ATOM 1315 CG GLU A 83 11.182 -6.087 2.136 1.00 0.00 C ATOM 1316 CD GLU A 83 10.512 -6.968 3.171 1.00 0.00 C ATOM 1317 OE1 GLU A 83 10.788 -6.785 4.376 1.00 0.00 O ATOM 1318 OE2 GLU A 83 9.713 -7.843 2.778 1.00 0.00 O ATOM 0 H GLU A 83 10.881 -2.821 0.296 1.00 0.00 H new ATOM 0 HA GLU A 83 9.756 -5.530 0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.242 -3.948 2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.780 -4.609 2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.184 -6.600 1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.224 -5.932 2.417 1.00 0.00 H new ATOM 1325 N VAL A 84 8.159 -2.939 1.452 1.00 0.00 N ATOM 1326 CA VAL A 84 6.825 -2.413 1.727 1.00 0.00 C ATOM 1327 C VAL A 84 5.923 -2.516 0.499 1.00 0.00 C ATOM 1328 O VAL A 84 4.821 -3.061 0.571 1.00 0.00 O ATOM 1329 CB VAL A 84 6.865 -0.943 2.192 1.00 0.00 C ATOM 1330 CG1 VAL A 84 7.225 -0.858 3.668 1.00 0.00 C ATOM 1331 CG2 VAL A 84 7.835 -0.128 1.350 1.00 0.00 C ATOM 0 H VAL A 84 8.922 -2.324 1.736 1.00 0.00 H new ATOM 0 HA VAL A 84 6.418 -3.025 2.532 1.00 0.00 H new ATOM 0 HB VAL A 84 5.870 -0.519 2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.248 0.187 3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.480 -1.394 4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.205 -1.306 3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.842 0.904 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.837 -0.549 1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.522 -0.155 0.306 1.00 0.00 H new ATOM 1341 N ILE A 85 6.394 -1.988 -0.629 1.00 0.00 N ATOM 1342 CA ILE A 85 5.627 -2.023 -1.866 1.00 0.00 C ATOM 1343 C ILE A 85 5.413 -3.457 -2.336 1.00 0.00 C ATOM 1344 O ILE A 85 4.381 -3.777 -2.919 1.00 0.00 O ATOM 1345 CB ILE A 85 6.315 -1.224 -2.989 1.00 0.00 C ATOM 1346 CG1 ILE A 85 6.612 0.204 -2.519 1.00 0.00 C ATOM 1347 CG2 ILE A 85 5.448 -1.209 -4.243 1.00 0.00 C ATOM 1348 CD1 ILE A 85 7.116 1.114 -3.620 1.00 0.00 C ATOM 0 H ILE A 85 7.303 -1.532 -0.709 1.00 0.00 H new ATOM 0 HA ILE A 85 4.663 -1.562 -1.649 1.00 0.00 H new ATOM 0 HB ILE A 85 7.259 -1.710 -3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.705 0.633 -2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.354 0.168 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.950 -0.640 -5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.285 -2.231 -4.585 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.488 -0.745 -4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.305 2.107 -3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.040 0.709 -4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.366 1.181 -4.408 1.00 0.00 H new ATOM 1360 N SER A 86 6.389 -4.321 -2.073 1.00 0.00 N ATOM 1361 CA SER A 86 6.286 -5.721 -2.470 1.00 0.00 C ATOM 1362 C SER A 86 4.997 -6.334 -1.928 1.00 0.00 C ATOM 1363 O SER A 86 4.427 -7.246 -2.526 1.00 0.00 O ATOM 1364 CB SER A 86 7.497 -6.508 -1.963 1.00 0.00 C ATOM 1365 OG SER A 86 8.302 -6.956 -3.040 1.00 0.00 O ATOM 0 H SER A 86 7.254 -4.079 -1.590 1.00 0.00 H new ATOM 0 HA SER A 86 6.266 -5.771 -3.559 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.090 -5.880 -1.298 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.160 -7.363 -1.377 1.00 0.00 H new ATOM 0 HG SER A 86 9.128 -6.429 -3.072 1.00 0.00 H new ATOM 1371 N VAL A 87 4.545 -5.816 -0.790 1.00 0.00 N ATOM 1372 CA VAL A 87 3.322 -6.292 -0.154 1.00 0.00 C ATOM 1373 C VAL A 87 2.103 -5.508 -0.635 1.00 0.00 C ATOM 1374 O VAL A 87 0.967 -5.964 -0.496 1.00 0.00 O ATOM 1375 CB VAL A 87 3.412 -6.181 1.381 1.00 0.00 C ATOM 1376 CG1 VAL A 87 2.306 -6.991 2.041 1.00 0.00 C ATOM 1377 CG2 VAL A 87 4.780 -6.630 1.877 1.00 0.00 C ATOM 0 H VAL A 87 5.011 -5.061 -0.287 1.00 0.00 H new ATOM 0 HA VAL A 87 3.209 -7.339 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 87 3.280 -5.134 1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.386 -6.901 3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.336 -6.615 1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.403 -8.039 1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.820 -6.543 2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.949 -7.668 1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.552 -6.001 1.434 1.00 0.00 H new ATOM 1387 N LEU A 88 2.341 -4.319 -1.183 1.00 0.00 N ATOM 1388 CA LEU A 88 1.260 -3.466 -1.663 1.00 0.00 C ATOM 1389 C LEU A 88 0.881 -3.774 -3.110 1.00 0.00 C ATOM 1390 O LEU A 88 -0.198 -3.396 -3.567 1.00 0.00 O ATOM 1391 CB LEU A 88 1.653 -1.993 -1.531 1.00 0.00 C ATOM 1392 CG LEU A 88 1.452 -1.398 -0.135 1.00 0.00 C ATOM 1393 CD1 LEU A 88 2.762 -0.867 0.420 1.00 0.00 C ATOM 1394 CD2 LEU A 88 0.398 -0.300 -0.165 1.00 0.00 C ATOM 0 H LEU A 88 3.274 -3.925 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 88 0.387 -3.671 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.701 -1.885 -1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.072 -1.411 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 88 1.101 -2.192 0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.594 -0.449 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.485 -1.680 0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.148 -0.090 -0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.271 0.109 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.717 0.492 -0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.549 -0.714 -0.511 1.00 0.00 H new ATOM 1406 N GLN A 89 1.764 -4.457 -3.830 1.00 0.00 N ATOM 1407 CA GLN A 89 1.504 -4.803 -5.223 1.00 0.00 C ATOM 1408 C GLN A 89 0.137 -5.469 -5.371 1.00 0.00 C ATOM 1409 O GLN A 89 -0.569 -5.255 -6.356 1.00 0.00 O ATOM 1410 CB GLN A 89 2.601 -5.729 -5.755 1.00 0.00 C ATOM 1411 CG GLN A 89 2.380 -6.176 -7.192 1.00 0.00 C ATOM 1412 CD GLN A 89 3.677 -6.485 -7.911 1.00 0.00 C ATOM 1413 OE1 GLN A 89 4.739 -5.978 -7.549 1.00 0.00 O ATOM 1414 NE2 GLN A 89 3.598 -7.322 -8.941 1.00 0.00 N ATOM 0 H GLN A 89 2.663 -4.781 -3.474 1.00 0.00 H new ATOM 0 HA GLN A 89 1.504 -3.883 -5.808 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.561 -5.217 -5.687 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.663 -6.609 -5.115 1.00 0.00 H new ATOM 0 HG2 GLN A 89 1.745 -7.062 -7.200 1.00 0.00 H new ATOM 0 HG3 GLN A 89 1.846 -5.395 -7.733 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.697 -7.720 -9.207 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.438 -7.567 -9.465 1.00 0.00 H new ATOM 1423 N LYS A 90 -0.230 -6.273 -4.377 1.00 0.00 N ATOM 1424 CA LYS A 90 -1.512 -6.969 -4.389 1.00 0.00 C ATOM 1425 C LYS A 90 -2.668 -5.974 -4.387 1.00 0.00 C ATOM 1426 O LYS A 90 -3.612 -6.105 -5.166 1.00 0.00 O ATOM 1427 CB LYS A 90 -1.625 -7.899 -3.179 1.00 0.00 C ATOM 1428 CG LYS A 90 -0.356 -8.686 -2.893 1.00 0.00 C ATOM 1429 CD LYS A 90 -0.642 -9.915 -2.044 1.00 0.00 C ATOM 1430 CE LYS A 90 -0.604 -9.590 -0.558 1.00 0.00 C ATOM 1431 NZ LYS A 90 -1.763 -10.180 0.168 1.00 0.00 N ATOM 0 H LYS A 90 0.342 -6.458 -3.553 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.566 -7.564 -5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.881 -7.308 -2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.446 -8.597 -3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.104 -8.991 -3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.362 -8.047 -2.379 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.621 -10.318 -2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.091 -10.690 -2.266 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.324 -9.966 -0.127 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.603 -8.508 -0.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.525 -10.285 1.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.588 -9.555 0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.986 -11.113 -0.234 1.00 0.00 H new ATOM 1445 N TYR A 91 -2.587 -4.981 -3.508 1.00 0.00 N ATOM 1446 CA TYR A 91 -3.628 -3.963 -3.408 1.00 0.00 C ATOM 1447 C TYR A 91 -3.793 -3.231 -4.735 1.00 0.00 C ATOM 1448 O TYR A 91 -4.906 -2.902 -5.143 1.00 0.00 O ATOM 1449 CB TYR A 91 -3.302 -2.959 -2.297 1.00 0.00 C ATOM 1450 CG TYR A 91 -2.680 -3.580 -1.065 1.00 0.00 C ATOM 1451 CD1 TYR A 91 -3.004 -4.873 -0.670 1.00 0.00 C ATOM 1452 CD2 TYR A 91 -1.762 -2.874 -0.299 1.00 0.00 C ATOM 1453 CE1 TYR A 91 -2.431 -5.442 0.450 1.00 0.00 C ATOM 1454 CE2 TYR A 91 -1.185 -3.437 0.824 1.00 0.00 C ATOM 1455 CZ TYR A 91 -1.522 -4.720 1.193 1.00 0.00 C ATOM 1456 OH TYR A 91 -0.948 -5.286 2.307 1.00 0.00 O ATOM 0 H TYR A 91 -1.813 -4.859 -2.855 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.564 -4.464 -3.163 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.623 -2.204 -2.692 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.218 -2.444 -2.008 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.716 -5.442 -1.249 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.494 -1.868 -0.585 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.694 -6.448 0.742 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.473 -2.873 1.409 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.173 -6.239 2.343 1.00 0.00 H new ATOM 1466 N SER A 92 -2.672 -2.982 -5.408 1.00 0.00 N ATOM 1467 CA SER A 92 -2.689 -2.293 -6.693 1.00 0.00 C ATOM 1468 C SER A 92 -3.565 -3.038 -7.695 1.00 0.00 C ATOM 1469 O SER A 92 -4.146 -2.433 -8.597 1.00 0.00 O ATOM 1470 CB SER A 92 -1.267 -2.161 -7.243 1.00 0.00 C ATOM 1471 OG SER A 92 -1.280 -1.832 -8.621 1.00 0.00 O ATOM 0 H SER A 92 -1.742 -3.247 -5.084 1.00 0.00 H new ATOM 0 HA SER A 92 -3.106 -1.298 -6.539 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.729 -1.392 -6.688 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.728 -3.097 -7.095 1.00 0.00 H new ATOM 0 HG SER A 92 -0.359 -1.752 -8.947 1.00 0.00 H new ATOM 1477 N GLU A 93 -3.659 -4.353 -7.528 1.00 0.00 N ATOM 1478 CA GLU A 93 -4.468 -5.181 -8.414 1.00 0.00 C ATOM 1479 C GLU A 93 -5.927 -5.212 -7.962 1.00 0.00 C ATOM 1480 O GLU A 93 -6.827 -5.469 -8.760 1.00 0.00 O ATOM 1481 CB GLU A 93 -3.910 -6.604 -8.464 1.00 0.00 C ATOM 1482 CG GLU A 93 -2.482 -6.681 -8.981 1.00 0.00 C ATOM 1483 CD GLU A 93 -2.397 -7.270 -10.377 1.00 0.00 C ATOM 1484 OE1 GLU A 93 -3.064 -6.735 -11.287 1.00 0.00 O ATOM 1485 OE2 GLU A 93 -1.666 -8.266 -10.556 1.00 0.00 O ATOM 0 H GLU A 93 -3.184 -4.868 -6.787 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.428 -4.743 -9.411 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.949 -7.036 -7.464 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.551 -7.214 -9.100 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.047 -5.682 -8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.885 -7.286 -8.299 1.00 0.00 H new