USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 759 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 82 SER OG : rot -120:sc= 1.22 USER MOD Set 1.2: A 84 ASN : amide:sc= -0.752 K(o=0.47,f=-2.5) USER MOD Set 2.1: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 69 ASN : amide:sc= -0.828 K(o=-0.83,f=-1.6) USER MOD Single : A 19 LYS NZ :NH3+ -132:sc= 1.18 (180deg=0.301) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -120:sc= -0.521 (180deg=-7.08!) USER MOD Single : A 26 MET CE :methyl -132:sc= -0.902 (180deg=-5.35!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0544 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -1.05 X(o=-1,f=-1.4) USER MOD Single : A 48 SER OG : rot 180:sc= -0.186 USER MOD Single : A 59 THR OG1 : rot -125:sc= 1.25 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0481 USER MOD Single : A 76 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.011) USER MOD Single : A 78 GLN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 79 SER OG : rot -45:sc= 0.0806 USER MOD Single : A 87 SER OG : rot -44:sc= 1.22 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.015) USER MOD Single : A 98 MET CE :methyl 153:sc= -0.0363 (180deg=-0.18) USER MOD Single : A 104 ASN : amide:sc= -0.0351 K(o=-0.035,f=-0.58) USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 255 N LYS A 19 12.243 -20.168 15.534 1.00 0.00 N ATOM 256 CA LYS A 19 11.251 -19.377 16.252 1.00 0.00 C ATOM 257 C LYS A 19 10.500 -18.451 15.300 1.00 0.00 C ATOM 258 O LYS A 19 10.926 -18.234 14.166 1.00 0.00 O ATOM 259 CB LYS A 19 11.925 -18.556 17.354 1.00 0.00 C ATOM 260 CG LYS A 19 11.949 -19.252 18.703 1.00 0.00 C ATOM 261 CD LYS A 19 13.008 -20.341 18.750 1.00 0.00 C ATOM 262 CE LYS A 19 13.822 -20.272 20.033 1.00 0.00 C ATOM 263 NZ LYS A 19 15.002 -21.179 19.991 1.00 0.00 N ATOM 0 HA LYS A 19 10.534 -20.062 16.704 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.948 -18.330 17.053 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.405 -17.603 17.455 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.143 -18.520 19.487 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.970 -19.686 18.907 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.531 -21.318 18.673 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.672 -20.242 17.891 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.157 -19.248 20.196 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.189 -20.539 20.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.044 -21.735 20.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.917 -21.822 19.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.870 -20.615 19.896 1.00 0.00 H new ATOM 277 N TYR A 20 9.383 -17.908 15.769 1.00 0.00 N ATOM 278 CA TYR A 20 8.573 -17.006 14.959 1.00 0.00 C ATOM 279 C TYR A 20 7.856 -15.982 15.835 1.00 0.00 C ATOM 280 O TYR A 20 7.529 -16.258 16.989 1.00 0.00 O ATOM 281 CB TYR A 20 7.551 -17.799 14.142 1.00 0.00 C ATOM 282 CG TYR A 20 6.175 -17.839 14.768 1.00 0.00 C ATOM 283 CD1 TYR A 20 5.871 -18.756 15.767 1.00 0.00 C ATOM 284 CD2 TYR A 20 5.180 -16.959 14.362 1.00 0.00 C ATOM 285 CE1 TYR A 20 4.615 -18.797 16.340 1.00 0.00 C ATOM 286 CE2 TYR A 20 3.922 -16.992 14.931 1.00 0.00 C ATOM 287 CZ TYR A 20 3.644 -17.913 15.920 1.00 0.00 C ATOM 288 OH TYR A 20 2.392 -17.949 16.490 1.00 0.00 O ATOM 0 H TYR A 20 9.017 -18.077 16.706 1.00 0.00 H new ATOM 0 HA TYR A 20 9.238 -16.474 14.279 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.476 -17.361 13.147 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.913 -18.819 14.015 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.630 -19.448 16.101 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.394 -16.237 13.588 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.395 -19.518 17.113 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.160 -16.300 14.603 1.00 0.00 H new ATOM 0 HH TYR A 20 1.827 -17.260 16.082 1.00 0.00 H new ATOM 298 N ILE A 21 7.616 -14.801 15.276 1.00 0.00 N ATOM 299 CA ILE A 21 6.937 -13.736 16.004 1.00 0.00 C ATOM 300 C ILE A 21 6.086 -12.886 15.067 1.00 0.00 C ATOM 301 O ILE A 21 5.665 -11.785 15.421 1.00 0.00 O ATOM 302 CB ILE A 21 7.941 -12.825 16.736 1.00 0.00 C ATOM 303 CG1 ILE A 21 8.923 -12.207 15.738 1.00 0.00 C ATOM 304 CG2 ILE A 21 8.688 -13.611 17.804 1.00 0.00 C ATOM 305 CD1 ILE A 21 9.733 -11.067 16.315 1.00 0.00 C ATOM 0 H ILE A 21 7.881 -14.557 14.322 1.00 0.00 H new ATOM 0 HA ILE A 21 6.293 -14.218 16.740 1.00 0.00 H new ATOM 0 HB ILE A 21 7.391 -12.020 17.223 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.603 -12.981 15.382 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.369 -11.846 14.871 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.394 -12.954 18.312 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.976 -14.009 18.528 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.230 -14.434 17.338 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.407 -10.677 15.552 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.062 -10.274 16.645 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.314 -11.427 17.164 1.00 0.00 H new ATOM 317 N GLY A 22 5.835 -13.405 13.869 1.00 0.00 N ATOM 318 CA GLY A 22 5.033 -12.681 12.900 1.00 0.00 C ATOM 319 C GLY A 22 5.492 -11.248 12.723 1.00 0.00 C ATOM 320 O GLY A 22 4.888 -10.323 13.268 1.00 0.00 O ATOM 0 H GLY A 22 6.173 -14.314 13.552 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.078 -13.195 11.940 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.990 -12.689 13.218 1.00 0.00 H new ATOM 324 N ILE A 23 6.565 -11.062 11.961 1.00 0.00 N ATOM 325 CA ILE A 23 7.105 -9.730 11.714 1.00 0.00 C ATOM 326 C ILE A 23 7.781 -9.655 10.350 1.00 0.00 C ATOM 327 O ILE A 23 8.498 -10.573 9.950 1.00 0.00 O ATOM 328 CB ILE A 23 8.118 -9.324 12.800 1.00 0.00 C ATOM 329 CG1 ILE A 23 9.333 -10.253 12.768 1.00 0.00 C ATOM 330 CG2 ILE A 23 7.462 -9.349 14.173 1.00 0.00 C ATOM 331 CD1 ILE A 23 10.572 -9.608 12.186 1.00 0.00 C ATOM 0 H ILE A 23 7.077 -11.816 11.504 1.00 0.00 H new ATOM 0 HA ILE A 23 6.263 -9.038 11.737 1.00 0.00 H new ATOM 0 HB ILE A 23 8.456 -8.307 12.599 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.550 -10.589 13.782 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.087 -11.140 12.184 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.191 -9.060 14.930 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.625 -8.651 14.189 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.099 -10.355 14.385 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.393 -10.324 12.195 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.373 -9.297 11.160 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.843 -8.737 12.783 1.00 0.00 H new ATOM 343 N ARG A 24 7.550 -8.556 9.640 1.00 0.00 N ATOM 344 CA ARG A 24 8.138 -8.360 8.321 1.00 0.00 C ATOM 345 C ARG A 24 9.134 -7.204 8.335 1.00 0.00 C ATOM 346 O ARG A 24 8.794 -6.083 8.712 1.00 0.00 O ATOM 347 CB ARG A 24 7.043 -8.092 7.286 1.00 0.00 C ATOM 348 CG ARG A 24 5.974 -9.170 7.237 1.00 0.00 C ATOM 349 CD ARG A 24 5.232 -9.159 5.910 1.00 0.00 C ATOM 350 NE ARG A 24 4.488 -10.396 5.688 1.00 0.00 N ATOM 351 CZ ARG A 24 5.062 -11.553 5.376 1.00 0.00 C ATOM 352 NH1 ARG A 24 6.379 -11.630 5.249 1.00 0.00 N ATOM 353 NH2 ARG A 24 4.317 -12.635 5.190 1.00 0.00 N ATOM 0 H ARG A 24 6.959 -7.787 9.957 1.00 0.00 H new ATOM 0 HA ARG A 24 8.670 -9.271 8.049 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.572 -7.135 7.508 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.501 -8.001 6.301 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.433 -10.147 7.390 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.266 -9.019 8.052 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.545 -8.313 5.886 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.944 -9.014 5.098 1.00 0.00 H new ATOM 0 HE ARG A 24 3.472 -10.370 5.777 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.954 -10.800 5.391 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.817 -12.519 5.009 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.303 -12.579 5.286 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.758 -13.523 4.950 1.00 0.00 H new ATOM 367 N MET A 25 10.366 -7.486 7.923 1.00 0.00 N ATOM 368 CA MET A 25 11.411 -6.470 7.887 1.00 0.00 C ATOM 369 C MET A 25 12.201 -6.548 6.585 1.00 0.00 C ATOM 370 O MET A 25 12.209 -7.579 5.914 1.00 0.00 O ATOM 371 CB MET A 25 12.354 -6.636 9.080 1.00 0.00 C ATOM 372 CG MET A 25 11.633 -6.880 10.396 1.00 0.00 C ATOM 373 SD MET A 25 12.740 -6.816 11.818 1.00 0.00 S ATOM 374 CE MET A 25 13.664 -8.334 11.596 1.00 0.00 C ATOM 0 H MET A 25 10.665 -8.410 7.610 1.00 0.00 H new ATOM 0 HA MET A 25 10.934 -5.492 7.943 1.00 0.00 H new ATOM 0 HB2 MET A 25 13.029 -7.469 8.885 1.00 0.00 H new ATOM 0 HB3 MET A 25 12.970 -5.741 9.173 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.847 -6.135 10.519 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.146 -7.855 10.363 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.520 -8.978 12.464 1.00 0.00 H new ATOM 0 HE2 MET A 25 13.311 -8.847 10.701 1.00 0.00 H new ATOM 0 HE3 MET A 25 14.724 -8.102 11.488 1.00 0.00 H new ATOM 384 N MET A 26 12.863 -5.450 6.233 1.00 0.00 N ATOM 385 CA MET A 26 13.657 -5.396 5.011 1.00 0.00 C ATOM 386 C MET A 26 15.068 -4.892 5.301 1.00 0.00 C ATOM 387 O MET A 26 15.260 -3.998 6.124 1.00 0.00 O ATOM 388 CB MET A 26 12.982 -4.491 3.979 1.00 0.00 C ATOM 389 CG MET A 26 12.882 -3.039 4.417 1.00 0.00 C ATOM 390 SD MET A 26 14.093 -1.981 3.599 1.00 0.00 S ATOM 391 CE MET A 26 13.371 -0.365 3.874 1.00 0.00 C ATOM 0 H MET A 26 12.865 -4.587 6.776 1.00 0.00 H new ATOM 0 HA MET A 26 13.727 -6.406 4.608 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.539 -4.542 3.043 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.981 -4.870 3.775 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.879 -2.668 4.205 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.023 -2.979 5.496 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.359 0.192 2.937 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.351 -0.480 4.241 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.963 0.177 4.612 1.00 0.00 H new ATOM 401 N SER A 27 16.050 -5.473 4.620 1.00 0.00 N ATOM 402 CA SER A 27 17.443 -5.086 4.808 1.00 0.00 C ATOM 403 C SER A 27 17.612 -3.576 4.665 1.00 0.00 C ATOM 404 O SER A 27 17.512 -3.030 3.566 1.00 0.00 O ATOM 405 CB SER A 27 18.336 -5.808 3.797 1.00 0.00 C ATOM 406 OG SER A 27 17.670 -5.976 2.557 1.00 0.00 O ATOM 0 H SER A 27 15.907 -6.213 3.933 1.00 0.00 H new ATOM 0 HA SER A 27 17.741 -5.374 5.816 1.00 0.00 H new ATOM 0 HB2 SER A 27 19.254 -5.239 3.646 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.625 -6.781 4.193 1.00 0.00 H new ATOM 0 HG SER A 27 18.262 -6.438 1.928 1.00 0.00 H new ATOM 412 N LEU A 28 17.867 -2.908 5.784 1.00 0.00 N ATOM 413 CA LEU A 28 18.049 -1.460 5.786 1.00 0.00 C ATOM 414 C LEU A 28 19.396 -1.080 5.179 1.00 0.00 C ATOM 415 O LEU A 28 20.418 -1.704 5.468 1.00 0.00 O ATOM 416 CB LEU A 28 17.947 -0.915 7.212 1.00 0.00 C ATOM 417 CG LEU A 28 16.901 0.177 7.440 1.00 0.00 C ATOM 418 CD1 LEU A 28 16.861 0.580 8.906 1.00 0.00 C ATOM 419 CD2 LEU A 28 17.191 1.384 6.561 1.00 0.00 C ATOM 0 H LEU A 28 17.953 -3.345 6.702 1.00 0.00 H new ATOM 0 HA LEU A 28 17.260 -1.018 5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.728 -1.746 7.882 1.00 0.00 H new ATOM 0 HB3 LEU A 28 18.922 -0.522 7.500 1.00 0.00 H new ATOM 0 HG LEU A 28 15.923 -0.220 7.167 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.111 1.358 9.049 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.605 -0.287 9.515 1.00 0.00 H new ATOM 0 HD13 LEU A 28 17.838 0.958 9.206 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.437 2.151 6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.177 1.782 6.803 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.168 1.085 5.513 1.00 0.00 H new ATOM 431 N THR A 29 19.391 -0.051 4.337 1.00 0.00 N ATOM 432 CA THR A 29 20.612 0.413 3.691 1.00 0.00 C ATOM 433 C THR A 29 20.915 1.860 4.062 1.00 0.00 C ATOM 434 O THR A 29 20.009 2.636 4.365 1.00 0.00 O ATOM 435 CB THR A 29 20.514 0.298 2.158 1.00 0.00 C ATOM 436 OG1 THR A 29 19.617 1.290 1.648 1.00 0.00 O ATOM 437 CG2 THR A 29 20.033 -1.086 1.748 1.00 0.00 C ATOM 0 H THR A 29 18.555 0.477 4.087 1.00 0.00 H new ATOM 0 HA THR A 29 21.420 -0.227 4.046 1.00 0.00 H new ATOM 0 HB THR A 29 21.508 0.458 1.740 1.00 0.00 H new ATOM 0 HG1 THR A 29 19.562 1.211 0.673 1.00 0.00 H new ATOM 0 HG21 THR A 29 19.972 -1.143 0.661 1.00 0.00 H new ATOM 0 HG22 THR A 29 20.734 -1.837 2.112 1.00 0.00 H new ATOM 0 HG23 THR A 29 19.048 -1.271 2.177 1.00 0.00 H new ATOM 445 N SER A 30 22.195 2.217 4.036 1.00 0.00 N ATOM 446 CA SER A 30 22.618 3.571 4.373 1.00 0.00 C ATOM 447 C SER A 30 21.841 4.601 3.559 1.00 0.00 C ATOM 448 O SER A 30 21.530 5.688 4.046 1.00 0.00 O ATOM 449 CB SER A 30 24.119 3.736 4.127 1.00 0.00 C ATOM 450 OG SER A 30 24.873 3.206 5.204 1.00 0.00 O ATOM 0 H SER A 30 22.957 1.587 3.785 1.00 0.00 H new ATOM 0 HA SER A 30 22.411 3.737 5.430 1.00 0.00 H new ATOM 0 HB2 SER A 30 24.397 3.232 3.201 1.00 0.00 H new ATOM 0 HB3 SER A 30 24.356 4.792 3.998 1.00 0.00 H new ATOM 0 HG SER A 30 25.829 3.322 5.022 1.00 0.00 H new ATOM 456 N SER A 31 21.532 4.251 2.314 1.00 0.00 N ATOM 457 CA SER A 31 20.795 5.145 1.429 1.00 0.00 C ATOM 458 C SER A 31 19.306 5.131 1.759 1.00 0.00 C ATOM 459 O SER A 31 18.640 6.166 1.725 1.00 0.00 O ATOM 460 CB SER A 31 21.009 4.742 -0.031 1.00 0.00 C ATOM 461 OG SER A 31 20.127 5.446 -0.889 1.00 0.00 O ATOM 0 H SER A 31 21.781 3.355 1.896 1.00 0.00 H new ATOM 0 HA SER A 31 21.173 6.156 1.579 1.00 0.00 H new ATOM 0 HB2 SER A 31 22.041 4.944 -0.320 1.00 0.00 H new ATOM 0 HB3 SER A 31 20.851 3.669 -0.142 1.00 0.00 H new ATOM 0 HG SER A 31 20.285 5.172 -1.817 1.00 0.00 H new ATOM 467 N LYS A 32 18.788 3.950 2.080 1.00 0.00 N ATOM 468 CA LYS A 32 17.378 3.798 2.418 1.00 0.00 C ATOM 469 C LYS A 32 17.051 4.520 3.721 1.00 0.00 C ATOM 470 O LYS A 32 15.974 5.098 3.868 1.00 0.00 O ATOM 471 CB LYS A 32 17.018 2.316 2.539 1.00 0.00 C ATOM 472 CG LYS A 32 15.534 2.064 2.737 1.00 0.00 C ATOM 473 CD LYS A 32 14.741 2.388 1.482 1.00 0.00 C ATOM 474 CE LYS A 32 14.847 1.273 0.453 1.00 0.00 C ATOM 475 NZ LYS A 32 13.595 1.129 -0.339 1.00 0.00 N ATOM 0 H LYS A 32 19.325 3.083 2.113 1.00 0.00 H new ATOM 0 HA LYS A 32 16.788 4.244 1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.349 1.796 1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.566 1.885 3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.374 1.021 3.010 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.169 2.670 3.566 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.694 2.546 1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 32 15.106 3.320 1.050 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.680 1.477 -0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.068 0.333 0.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.707 0.359 -1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.804 0.909 0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.398 2.018 -0.841 1.00 0.00 H new ATOM 489 N ALA A 33 17.986 4.483 4.664 1.00 0.00 N ATOM 490 CA ALA A 33 17.798 5.137 5.954 1.00 0.00 C ATOM 491 C ALA A 33 17.806 6.654 5.806 1.00 0.00 C ATOM 492 O ALA A 33 16.883 7.337 6.252 1.00 0.00 O ATOM 493 CB ALA A 33 18.876 4.694 6.932 1.00 0.00 C ATOM 0 H ALA A 33 18.882 4.007 4.559 1.00 0.00 H new ATOM 0 HA ALA A 33 16.825 4.842 6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 33 18.724 5.190 7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.821 3.614 7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.857 4.960 6.538 1.00 0.00 H new ATOM 499 N LYS A 34 18.853 7.178 5.178 1.00 0.00 N ATOM 500 CA LYS A 34 18.982 8.615 4.971 1.00 0.00 C ATOM 501 C LYS A 34 17.760 9.172 4.247 1.00 0.00 C ATOM 502 O LYS A 34 17.427 10.349 4.388 1.00 0.00 O ATOM 503 CB LYS A 34 20.247 8.925 4.169 1.00 0.00 C ATOM 504 CG LYS A 34 21.330 9.614 4.982 1.00 0.00 C ATOM 505 CD LYS A 34 22.275 10.406 4.094 1.00 0.00 C ATOM 506 CE LYS A 34 23.661 9.782 4.059 1.00 0.00 C ATOM 507 NZ LYS A 34 24.370 10.076 2.783 1.00 0.00 N ATOM 0 H LYS A 34 19.626 6.628 4.803 1.00 0.00 H new ATOM 0 HA LYS A 34 19.053 9.092 5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.646 7.996 3.762 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.984 9.557 3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 34 20.870 10.281 5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.895 8.869 5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 34 21.871 10.454 3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 34 22.345 11.431 4.458 1.00 0.00 H new ATOM 0 HE2 LYS A 34 24.249 10.157 4.896 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.577 8.703 4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.311 9.633 2.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 23.822 9.696 1.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 24.473 11.105 2.672 1.00 0.00 H new ATOM 521 N GLU A 35 17.095 8.319 3.475 1.00 0.00 N ATOM 522 CA GLU A 35 15.909 8.727 2.731 1.00 0.00 C ATOM 523 C GLU A 35 14.641 8.454 3.534 1.00 0.00 C ATOM 524 O GLU A 35 13.619 9.114 3.346 1.00 0.00 O ATOM 525 CB GLU A 35 15.844 7.993 1.390 1.00 0.00 C ATOM 526 CG GLU A 35 17.008 8.310 0.465 1.00 0.00 C ATOM 527 CD GLU A 35 16.807 9.601 -0.303 1.00 0.00 C ATOM 528 OE1 GLU A 35 15.667 9.862 -0.739 1.00 0.00 O ATOM 529 OE2 GLU A 35 17.792 10.351 -0.468 1.00 0.00 O ATOM 0 H GLU A 35 17.357 7.341 3.348 1.00 0.00 H new ATOM 0 HA GLU A 35 15.978 9.799 2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.819 6.919 1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.911 8.252 0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.925 8.379 1.051 1.00 0.00 H new ATOM 0 HG3 GLU A 35 17.141 7.489 -0.240 1.00 0.00 H new ATOM 536 N LEU A 36 14.715 7.475 4.430 1.00 0.00 N ATOM 537 CA LEU A 36 13.574 7.113 5.263 1.00 0.00 C ATOM 538 C LEU A 36 13.293 8.194 6.302 1.00 0.00 C ATOM 539 O LEU A 36 12.143 8.430 6.674 1.00 0.00 O ATOM 540 CB LEU A 36 13.829 5.775 5.959 1.00 0.00 C ATOM 541 CG LEU A 36 13.379 4.527 5.199 1.00 0.00 C ATOM 542 CD1 LEU A 36 13.976 3.276 5.826 1.00 0.00 C ATOM 543 CD2 LEU A 36 11.860 4.438 5.172 1.00 0.00 C ATOM 0 H LEU A 36 15.553 6.918 4.598 1.00 0.00 H new ATOM 0 HA LEU A 36 12.700 7.019 4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 36 14.897 5.689 6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.325 5.789 6.925 1.00 0.00 H new ATOM 0 HG LEU A 36 13.738 4.601 4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.645 2.398 5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.064 3.336 5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.648 3.196 6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.558 3.544 4.627 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.480 4.387 6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.453 5.320 4.677 1.00 0.00 H new ATOM 555 N LYS A 37 14.351 8.850 6.767 1.00 0.00 N ATOM 556 CA LYS A 37 14.220 9.908 7.761 1.00 0.00 C ATOM 557 C LYS A 37 13.679 11.186 7.127 1.00 0.00 C ATOM 558 O LYS A 37 12.657 11.720 7.558 1.00 0.00 O ATOM 559 CB LYS A 37 15.572 10.187 8.421 1.00 0.00 C ATOM 560 CG LYS A 37 15.460 10.861 9.778 1.00 0.00 C ATOM 561 CD LYS A 37 16.757 10.756 10.561 1.00 0.00 C ATOM 562 CE LYS A 37 16.794 11.747 11.714 1.00 0.00 C ATOM 563 NZ LYS A 37 18.174 12.239 11.980 1.00 0.00 N ATOM 0 H LYS A 37 15.310 8.667 6.471 1.00 0.00 H new ATOM 0 HA LYS A 37 13.514 9.573 8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.112 9.247 8.535 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.166 10.817 7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.199 11.911 9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.652 10.402 10.348 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.869 9.743 10.947 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.601 10.939 9.896 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.145 12.593 11.487 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.398 11.273 12.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.156 12.912 12.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.788 11.436 12.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.543 12.714 11.131 1.00 0.00 H new ATOM 577 N ASP A 38 14.370 11.670 6.100 1.00 0.00 N ATOM 578 CA ASP A 38 13.957 12.883 5.405 1.00 0.00 C ATOM 579 C ASP A 38 12.520 12.762 4.906 1.00 0.00 C ATOM 580 O ASP A 38 11.824 13.763 4.740 1.00 0.00 O ATOM 581 CB ASP A 38 14.895 13.168 4.231 1.00 0.00 C ATOM 582 CG ASP A 38 14.583 14.485 3.547 1.00 0.00 C ATOM 583 OD1 ASP A 38 14.883 15.545 4.136 1.00 0.00 O ATOM 584 OD2 ASP A 38 14.040 14.455 2.423 1.00 0.00 O ATOM 0 H ASP A 38 15.218 11.241 5.731 1.00 0.00 H new ATOM 0 HA ASP A 38 14.009 13.712 6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.925 13.182 4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.820 12.358 3.505 1.00 0.00 H new ATOM 589 N ARG A 39 12.084 11.529 4.669 1.00 0.00 N ATOM 590 CA ARG A 39 10.731 11.276 4.187 1.00 0.00 C ATOM 591 C ARG A 39 9.784 10.994 5.349 1.00 0.00 C ATOM 592 O ARG A 39 8.578 11.224 5.251 1.00 0.00 O ATOM 593 CB ARG A 39 10.726 10.097 3.212 1.00 0.00 C ATOM 594 CG ARG A 39 11.251 10.448 1.829 1.00 0.00 C ATOM 595 CD ARG A 39 10.681 9.523 0.766 1.00 0.00 C ATOM 596 NE ARG A 39 9.799 10.231 -0.159 1.00 0.00 N ATOM 597 CZ ARG A 39 9.262 9.670 -1.237 1.00 0.00 C ATOM 598 NH1 ARG A 39 9.515 8.400 -1.523 1.00 0.00 N ATOM 599 NH2 ARG A 39 8.470 10.379 -2.031 1.00 0.00 N ATOM 0 H ARG A 39 12.648 10.690 4.803 1.00 0.00 H new ATOM 0 HA ARG A 39 10.384 12.169 3.667 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.331 9.291 3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.708 9.717 3.120 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.992 11.480 1.592 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.339 10.383 1.824 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.498 9.064 0.209 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.129 8.715 1.246 1.00 0.00 H new ATOM 0 HE ARG A 39 9.584 11.209 0.033 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.123 7.852 -0.915 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.102 7.972 -2.351 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.273 11.356 -1.814 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.058 9.947 -2.858 1.00 0.00 H new ATOM 613 N HIS A 40 10.337 10.492 6.449 1.00 0.00 N ATOM 614 CA HIS A 40 9.542 10.178 7.630 1.00 0.00 C ATOM 615 C HIS A 40 10.112 10.863 8.868 1.00 0.00 C ATOM 616 O HIS A 40 11.072 10.381 9.469 1.00 0.00 O ATOM 617 CB HIS A 40 9.490 8.666 7.848 1.00 0.00 C ATOM 618 CG HIS A 40 9.187 7.891 6.603 1.00 0.00 C ATOM 619 ND1 HIS A 40 8.223 8.273 5.694 1.00 0.00 N ATOM 620 CD2 HIS A 40 9.728 6.749 6.117 1.00 0.00 C ATOM 621 CE1 HIS A 40 8.183 7.400 4.704 1.00 0.00 C ATOM 622 NE2 HIS A 40 9.087 6.465 4.936 1.00 0.00 N ATOM 0 H HIS A 40 11.333 10.294 6.546 1.00 0.00 H new ATOM 0 HA HIS A 40 8.530 10.549 7.465 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.447 8.332 8.250 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.733 8.441 8.599 1.00 0.00 H new ATOM 0 HD1 HIS A 40 7.633 9.101 5.774 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.517 6.169 6.573 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.523 7.443 3.850 1.00 0.00 H new ATOM 630 N ARG A 41 9.516 11.991 9.242 1.00 0.00 N ATOM 631 CA ARG A 41 9.967 12.743 10.406 1.00 0.00 C ATOM 632 C ARG A 41 9.887 11.890 11.669 1.00 0.00 C ATOM 633 O ARG A 41 10.616 12.123 12.634 1.00 0.00 O ATOM 634 CB ARG A 41 9.125 14.009 10.579 1.00 0.00 C ATOM 635 CG ARG A 41 9.533 14.853 11.776 1.00 0.00 C ATOM 636 CD ARG A 41 8.594 14.639 12.953 1.00 0.00 C ATOM 637 NE ARG A 41 8.861 15.575 14.042 1.00 0.00 N ATOM 638 CZ ARG A 41 8.147 15.622 15.162 1.00 0.00 C ATOM 639 NH1 ARG A 41 7.130 14.790 15.339 1.00 0.00 N ATOM 640 NH2 ARG A 41 8.452 16.502 16.107 1.00 0.00 N ATOM 0 H ARG A 41 8.720 12.404 8.756 1.00 0.00 H new ATOM 0 HA ARG A 41 11.007 13.025 10.244 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.203 14.613 9.675 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.077 13.727 10.684 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.552 14.600 12.071 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.534 15.907 11.497 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.563 14.755 12.620 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.698 13.618 13.319 1.00 0.00 H new ATOM 0 HE ARG A 41 9.638 16.228 13.937 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.894 14.112 14.615 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.584 14.828 16.200 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.235 17.143 15.974 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.904 16.538 16.966 1.00 0.00 H new ATOM 654 N ASP A 42 8.998 10.904 11.655 1.00 0.00 N ATOM 655 CA ASP A 42 8.823 10.016 12.798 1.00 0.00 C ATOM 656 C ASP A 42 10.080 9.186 13.039 1.00 0.00 C ATOM 657 O ASP A 42 10.388 8.821 14.174 1.00 0.00 O ATOM 658 CB ASP A 42 7.623 9.094 12.576 1.00 0.00 C ATOM 659 CG ASP A 42 6.601 9.195 13.691 1.00 0.00 C ATOM 660 OD1 ASP A 42 6.110 10.315 13.947 1.00 0.00 O ATOM 661 OD2 ASP A 42 6.291 8.155 14.307 1.00 0.00 O ATOM 0 H ASP A 42 8.387 10.699 10.864 1.00 0.00 H new ATOM 0 HA ASP A 42 8.641 10.631 13.679 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.147 9.344 11.628 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.970 8.064 12.497 1.00 0.00 H new ATOM 666 N PHE A 43 10.802 8.890 11.963 1.00 0.00 N ATOM 667 CA PHE A 43 12.025 8.101 12.057 1.00 0.00 C ATOM 668 C PHE A 43 12.970 8.685 13.103 1.00 0.00 C ATOM 669 O PHE A 43 13.136 9.900 13.217 1.00 0.00 O ATOM 670 CB PHE A 43 12.725 8.042 10.697 1.00 0.00 C ATOM 671 CG PHE A 43 13.241 6.676 10.348 1.00 0.00 C ATOM 672 CD1 PHE A 43 12.374 5.679 9.931 1.00 0.00 C ATOM 673 CD2 PHE A 43 14.594 6.389 10.435 1.00 0.00 C ATOM 674 CE1 PHE A 43 12.846 4.420 9.610 1.00 0.00 C ATOM 675 CE2 PHE A 43 15.072 5.132 10.114 1.00 0.00 C ATOM 676 CZ PHE A 43 14.197 4.147 9.700 1.00 0.00 C ATOM 0 H PHE A 43 10.562 9.184 11.016 1.00 0.00 H new ATOM 0 HA PHE A 43 11.753 7.091 12.362 1.00 0.00 H new ATOM 0 HB2 PHE A 43 12.028 8.367 9.924 1.00 0.00 H new ATOM 0 HB3 PHE A 43 13.556 8.747 10.694 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.317 5.888 9.856 1.00 0.00 H new ATOM 0 HD2 PHE A 43 15.283 7.156 10.757 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.159 3.651 9.289 1.00 0.00 H new ATOM 0 HE2 PHE A 43 16.129 4.921 10.187 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.568 3.165 9.447 1.00 0.00 H new ATOM 686 N PRO A 44 13.605 7.800 13.886 1.00 0.00 N ATOM 687 CA PRO A 44 14.545 8.204 14.936 1.00 0.00 C ATOM 688 C PRO A 44 15.838 8.777 14.368 1.00 0.00 C ATOM 689 O PRO A 44 15.942 9.030 13.168 1.00 0.00 O ATOM 690 CB PRO A 44 14.822 6.898 15.685 1.00 0.00 C ATOM 691 CG PRO A 44 14.562 5.825 14.684 1.00 0.00 C ATOM 692 CD PRO A 44 13.455 6.338 13.805 1.00 0.00 C ATOM 0 HA PRO A 44 14.137 8.995 15.566 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.849 6.860 16.048 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.172 6.795 16.554 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.457 5.611 14.100 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.272 4.896 15.174 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.557 5.980 12.781 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.477 6.014 14.160 1.00 0.00 H new ATOM 700 N ASP A 45 16.822 8.980 15.238 1.00 0.00 N ATOM 701 CA ASP A 45 18.110 9.522 14.822 1.00 0.00 C ATOM 702 C ASP A 45 19.101 8.401 14.524 1.00 0.00 C ATOM 703 O ASP A 45 20.268 8.470 14.912 1.00 0.00 O ATOM 704 CB ASP A 45 18.674 10.443 15.905 1.00 0.00 C ATOM 705 CG ASP A 45 19.622 11.484 15.344 1.00 0.00 C ATOM 706 OD1 ASP A 45 20.755 11.115 14.971 1.00 0.00 O ATOM 707 OD2 ASP A 45 19.232 12.669 15.278 1.00 0.00 O ATOM 0 H ASP A 45 16.752 8.777 16.235 1.00 0.00 H new ATOM 0 HA ASP A 45 17.956 10.098 13.910 1.00 0.00 H new ATOM 0 HB2 ASP A 45 17.852 10.943 16.417 1.00 0.00 H new ATOM 0 HB3 ASP A 45 19.197 9.844 16.651 1.00 0.00 H new ATOM 712 N VAL A 46 18.629 7.368 13.834 1.00 0.00 N ATOM 713 CA VAL A 46 19.473 6.231 13.485 1.00 0.00 C ATOM 714 C VAL A 46 19.348 5.889 12.004 1.00 0.00 C ATOM 715 O VAL A 46 18.429 6.349 11.326 1.00 0.00 O ATOM 716 CB VAL A 46 19.114 4.988 14.320 1.00 0.00 C ATOM 717 CG1 VAL A 46 19.152 5.312 15.805 1.00 0.00 C ATOM 718 CG2 VAL A 46 17.747 4.453 13.918 1.00 0.00 C ATOM 0 H VAL A 46 17.666 7.295 13.505 1.00 0.00 H new ATOM 0 HA VAL A 46 20.501 6.521 13.703 1.00 0.00 H new ATOM 0 HB VAL A 46 19.855 4.213 14.123 1.00 0.00 H new ATOM 0 HG11 VAL A 46 18.896 4.421 16.378 1.00 0.00 H new ATOM 0 HG12 VAL A 46 20.153 5.644 16.079 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.435 6.103 16.023 1.00 0.00 H new ATOM 0 HG21 VAL A 46 17.509 3.575 14.518 1.00 0.00 H new ATOM 0 HG22 VAL A 46 16.992 5.221 14.085 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.759 4.179 12.863 1.00 0.00 H new ATOM 728 N ILE A 47 20.278 5.079 11.510 1.00 0.00 N ATOM 729 CA ILE A 47 20.272 4.674 10.110 1.00 0.00 C ATOM 730 C ILE A 47 20.944 3.318 9.927 1.00 0.00 C ATOM 731 O ILE A 47 21.518 3.035 8.875 1.00 0.00 O ATOM 732 CB ILE A 47 20.983 5.711 9.221 1.00 0.00 C ATOM 733 CG1 ILE A 47 22.333 6.097 9.829 1.00 0.00 C ATOM 734 CG2 ILE A 47 20.108 6.942 9.038 1.00 0.00 C ATOM 735 CD1 ILE A 47 23.316 6.648 8.820 1.00 0.00 C ATOM 0 H ILE A 47 21.045 4.690 12.058 1.00 0.00 H new ATOM 0 HA ILE A 47 19.227 4.603 9.807 1.00 0.00 H new ATOM 0 HB ILE A 47 21.160 5.266 8.242 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.171 6.840 10.610 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.770 5.221 10.309 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.625 7.665 8.407 1.00 0.00 H new ATOM 0 HG22 ILE A 47 19.169 6.654 8.565 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.902 7.390 10.010 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.250 6.900 9.322 1.00 0.00 H new ATOM 0 HD12 ILE A 47 23.508 5.899 8.052 1.00 0.00 H new ATOM 0 HD13 ILE A 47 22.900 7.543 8.358 1.00 0.00 H new ATOM 747 N SER A 48 20.867 2.481 10.957 1.00 0.00 N ATOM 748 CA SER A 48 21.469 1.154 10.911 1.00 0.00 C ATOM 749 C SER A 48 20.756 0.201 11.865 1.00 0.00 C ATOM 750 O SER A 48 20.741 0.413 13.077 1.00 0.00 O ATOM 751 CB SER A 48 22.955 1.233 11.266 1.00 0.00 C ATOM 752 OG SER A 48 23.627 2.173 10.445 1.00 0.00 O ATOM 0 H SER A 48 20.393 2.699 11.834 1.00 0.00 H new ATOM 0 HA SER A 48 21.365 0.769 9.896 1.00 0.00 H new ATOM 0 HB2 SER A 48 23.067 1.514 12.313 1.00 0.00 H new ATOM 0 HB3 SER A 48 23.413 0.251 11.149 1.00 0.00 H new ATOM 0 HG SER A 48 24.575 2.206 10.693 1.00 0.00 H new ATOM 758 N GLY A 49 20.166 -0.852 11.308 1.00 0.00 N ATOM 759 CA GLY A 49 19.459 -1.823 12.122 1.00 0.00 C ATOM 760 C GLY A 49 18.390 -2.565 11.344 1.00 0.00 C ATOM 761 O GLY A 49 18.490 -2.712 10.126 1.00 0.00 O ATOM 0 H GLY A 49 20.165 -1.050 10.307 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.172 -2.540 12.528 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.000 -1.316 12.970 1.00 0.00 H new ATOM 765 N ALA A 50 17.366 -3.035 12.048 1.00 0.00 N ATOM 766 CA ALA A 50 16.275 -3.765 11.415 1.00 0.00 C ATOM 767 C ALA A 50 15.031 -2.892 11.288 1.00 0.00 C ATOM 768 O ALA A 50 14.470 -2.443 12.288 1.00 0.00 O ATOM 769 CB ALA A 50 15.957 -5.027 12.204 1.00 0.00 C ATOM 0 H ALA A 50 17.269 -2.923 13.057 1.00 0.00 H new ATOM 0 HA ALA A 50 16.594 -4.047 10.411 1.00 0.00 H new ATOM 0 HB1 ALA A 50 15.140 -5.563 11.720 1.00 0.00 H new ATOM 0 HB2 ALA A 50 16.839 -5.666 12.239 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.663 -4.758 13.219 1.00 0.00 H new ATOM 775 N TYR A 51 14.605 -2.654 10.052 1.00 0.00 N ATOM 776 CA TYR A 51 13.430 -1.831 9.794 1.00 0.00 C ATOM 777 C TYR A 51 12.171 -2.689 9.713 1.00 0.00 C ATOM 778 O TYR A 51 12.073 -3.590 8.879 1.00 0.00 O ATOM 779 CB TYR A 51 13.608 -1.043 8.495 1.00 0.00 C ATOM 780 CG TYR A 51 12.373 -0.278 8.077 1.00 0.00 C ATOM 781 CD1 TYR A 51 11.988 0.877 8.747 1.00 0.00 C ATOM 782 CD2 TYR A 51 11.590 -0.709 7.013 1.00 0.00 C ATOM 783 CE1 TYR A 51 10.860 1.580 8.369 1.00 0.00 C ATOM 784 CE2 TYR A 51 10.462 -0.013 6.628 1.00 0.00 C ATOM 785 CZ TYR A 51 10.100 1.131 7.309 1.00 0.00 C ATOM 786 OH TYR A 51 8.976 1.828 6.928 1.00 0.00 O ATOM 0 H TYR A 51 15.056 -3.020 9.213 1.00 0.00 H new ATOM 0 HA TYR A 51 13.319 -1.132 10.623 1.00 0.00 H new ATOM 0 HB2 TYR A 51 14.435 -0.343 8.615 1.00 0.00 H new ATOM 0 HB3 TYR A 51 13.886 -1.732 7.697 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.581 1.231 9.577 1.00 0.00 H new ATOM 0 HD2 TYR A 51 11.869 -1.605 6.478 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.575 2.476 8.900 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.866 -0.362 5.798 1.00 0.00 H new ATOM 0 HH TYR A 51 8.556 1.379 6.165 1.00 0.00 H new ATOM 796 N ILE A 52 11.211 -2.403 10.585 1.00 0.00 N ATOM 797 CA ILE A 52 9.957 -3.147 10.612 1.00 0.00 C ATOM 798 C ILE A 52 8.945 -2.553 9.638 1.00 0.00 C ATOM 799 O ILE A 52 8.548 -1.395 9.770 1.00 0.00 O ATOM 800 CB ILE A 52 9.344 -3.166 12.025 1.00 0.00 C ATOM 801 CG1 ILE A 52 10.323 -3.791 13.021 1.00 0.00 C ATOM 802 CG2 ILE A 52 8.027 -3.927 12.020 1.00 0.00 C ATOM 803 CD1 ILE A 52 9.795 -3.839 14.438 1.00 0.00 C ATOM 0 H ILE A 52 11.277 -1.662 11.282 1.00 0.00 H new ATOM 0 HA ILE A 52 10.189 -4.169 10.312 1.00 0.00 H new ATOM 0 HB ILE A 52 9.147 -2.139 12.334 1.00 0.00 H new ATOM 0 HG12 ILE A 52 10.562 -4.804 12.696 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.254 -3.224 13.008 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.606 -3.932 13.025 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.329 -3.443 11.337 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.201 -4.953 11.694 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.541 -4.294 15.089 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.583 -2.827 14.782 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.880 -4.431 14.466 1.00 0.00 H new ATOM 815 N ILE A 53 8.530 -3.355 8.663 1.00 0.00 N ATOM 816 CA ILE A 53 7.561 -2.910 7.669 1.00 0.00 C ATOM 817 C ILE A 53 6.135 -3.203 8.122 1.00 0.00 C ATOM 818 O ILE A 53 5.193 -2.522 7.718 1.00 0.00 O ATOM 819 CB ILE A 53 7.804 -3.583 6.306 1.00 0.00 C ATOM 820 CG1 ILE A 53 9.282 -3.490 5.922 1.00 0.00 C ATOM 821 CG2 ILE A 53 6.932 -2.942 5.236 1.00 0.00 C ATOM 822 CD1 ILE A 53 9.615 -4.196 4.627 1.00 0.00 C ATOM 0 H ILE A 53 8.850 -4.316 8.540 1.00 0.00 H new ATOM 0 HA ILE A 53 7.691 -1.833 7.561 1.00 0.00 H new ATOM 0 HB ILE A 53 7.534 -4.636 6.385 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.561 -2.440 5.836 1.00 0.00 H new ATOM 0 HG13 ILE A 53 9.885 -3.916 6.724 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.115 -3.428 4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.882 -3.056 5.506 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.173 -1.882 5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.679 -4.089 4.417 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.367 -5.254 4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.039 -3.755 3.814 1.00 0.00 H new ATOM 834 N GLU A 54 5.985 -4.220 8.965 1.00 0.00 N ATOM 835 CA GLU A 54 4.673 -4.602 9.474 1.00 0.00 C ATOM 836 C GLU A 54 4.791 -5.738 10.487 1.00 0.00 C ATOM 837 O GLU A 54 5.564 -6.677 10.295 1.00 0.00 O ATOM 838 CB GLU A 54 3.758 -5.025 8.322 1.00 0.00 C ATOM 839 CG GLU A 54 2.405 -5.544 8.779 1.00 0.00 C ATOM 840 CD GLU A 54 1.275 -5.113 7.864 1.00 0.00 C ATOM 841 OE1 GLU A 54 1.249 -3.928 7.471 1.00 0.00 O ATOM 842 OE2 GLU A 54 0.418 -5.962 7.540 1.00 0.00 O ATOM 0 H GLU A 54 6.755 -4.794 9.309 1.00 0.00 H new ATOM 0 HA GLU A 54 4.240 -3.736 9.974 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.606 -4.174 7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.257 -5.799 7.738 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.435 -6.633 8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.206 -5.187 9.789 1.00 0.00 H new ATOM 849 N VAL A 55 4.021 -5.643 11.566 1.00 0.00 N ATOM 850 CA VAL A 55 4.038 -6.661 12.609 1.00 0.00 C ATOM 851 C VAL A 55 2.725 -7.434 12.645 1.00 0.00 C ATOM 852 O VAL A 55 1.703 -6.920 13.101 1.00 0.00 O ATOM 853 CB VAL A 55 4.294 -6.040 13.995 1.00 0.00 C ATOM 854 CG1 VAL A 55 3.356 -4.868 14.236 1.00 0.00 C ATOM 855 CG2 VAL A 55 4.140 -7.090 15.085 1.00 0.00 C ATOM 0 H VAL A 55 3.377 -4.871 11.741 1.00 0.00 H new ATOM 0 HA VAL A 55 4.852 -7.345 12.370 1.00 0.00 H new ATOM 0 HB VAL A 55 5.318 -5.667 14.024 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.551 -4.442 15.220 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.520 -4.108 13.472 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.323 -5.213 14.189 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.324 -6.634 16.058 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.128 -7.495 15.060 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.857 -7.894 14.919 1.00 0.00 H new ATOM 865 N ILE A 56 2.759 -8.672 12.163 1.00 0.00 N ATOM 866 CA ILE A 56 1.572 -9.516 12.142 1.00 0.00 C ATOM 867 C ILE A 56 0.896 -9.550 13.508 1.00 0.00 C ATOM 868 O ILE A 56 1.544 -9.704 14.544 1.00 0.00 O ATOM 869 CB ILE A 56 1.912 -10.956 11.714 1.00 0.00 C ATOM 870 CG1 ILE A 56 2.611 -10.955 10.353 1.00 0.00 C ATOM 871 CG2 ILE A 56 0.652 -11.807 11.668 1.00 0.00 C ATOM 872 CD1 ILE A 56 1.824 -10.251 9.270 1.00 0.00 C ATOM 0 H ILE A 56 3.596 -9.112 11.782 1.00 0.00 H new ATOM 0 HA ILE A 56 0.889 -9.080 11.413 1.00 0.00 H new ATOM 0 HB ILE A 56 2.591 -11.387 12.450 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.584 -10.475 10.454 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.794 -11.985 10.047 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.909 -12.822 11.364 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.192 -11.830 12.656 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.049 -11.380 10.951 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.380 -10.289 8.333 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.861 -10.745 9.141 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.664 -9.211 9.554 1.00 0.00 H new ATOM 884 N PRO A 57 -0.437 -9.404 13.514 1.00 0.00 N ATOM 885 CA PRO A 57 -1.230 -9.416 14.746 1.00 0.00 C ATOM 886 C PRO A 57 -1.280 -10.798 15.389 1.00 0.00 C ATOM 887 O PRO A 57 -0.965 -11.802 14.750 1.00 0.00 O ATOM 888 CB PRO A 57 -2.624 -8.994 14.276 1.00 0.00 C ATOM 889 CG PRO A 57 -2.673 -9.384 12.839 1.00 0.00 C ATOM 890 CD PRO A 57 -1.273 -9.216 12.316 1.00 0.00 C ATOM 0 HA PRO A 57 -0.807 -8.762 15.509 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.404 -9.496 14.849 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.776 -7.922 14.401 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.011 -10.414 12.726 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.373 -8.756 12.288 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.041 -9.951 11.545 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.125 -8.231 11.873 1.00 0.00 H new ATOM 898 N ASP A 58 -1.679 -10.842 16.655 1.00 0.00 N ATOM 899 CA ASP A 58 -1.773 -12.102 17.384 1.00 0.00 C ATOM 900 C ASP A 58 -0.398 -12.745 17.536 1.00 0.00 C ATOM 901 O ASP A 58 -0.278 -13.968 17.620 1.00 0.00 O ATOM 902 CB ASP A 58 -2.722 -13.062 16.666 1.00 0.00 C ATOM 903 CG ASP A 58 -3.399 -14.028 17.618 1.00 0.00 C ATOM 904 OD1 ASP A 58 -4.459 -13.670 18.172 1.00 0.00 O ATOM 905 OD2 ASP A 58 -2.868 -15.142 17.810 1.00 0.00 O ATOM 0 H ASP A 58 -1.943 -10.020 17.198 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.167 -11.890 18.378 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.481 -12.488 16.135 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.166 -13.625 15.917 1.00 0.00 H new ATOM 910 N THR A 59 0.639 -11.913 17.570 1.00 0.00 N ATOM 911 CA THR A 59 2.005 -12.400 17.710 1.00 0.00 C ATOM 912 C THR A 59 2.655 -11.860 18.978 1.00 0.00 C ATOM 913 O THR A 59 2.260 -10.824 19.514 1.00 0.00 O ATOM 914 CB THR A 59 2.868 -12.006 16.496 1.00 0.00 C ATOM 915 OG1 THR A 59 3.011 -10.583 16.438 1.00 0.00 O ATOM 916 CG2 THR A 59 2.247 -12.512 15.203 1.00 0.00 C ATOM 0 H THR A 59 0.558 -10.898 17.502 1.00 0.00 H new ATOM 0 HA THR A 59 1.948 -13.487 17.770 1.00 0.00 H new ATOM 0 HB THR A 59 3.850 -12.465 16.612 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.716 -10.260 15.561 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.874 -12.222 14.360 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.167 -13.598 15.239 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.254 -12.079 15.082 1.00 0.00 H new ATOM 924 N PRO A 60 3.676 -12.576 19.472 1.00 0.00 N ATOM 925 CA PRO A 60 4.403 -12.185 20.684 1.00 0.00 C ATOM 926 C PRO A 60 5.252 -10.936 20.474 1.00 0.00 C ATOM 927 O PRO A 60 5.822 -10.395 21.421 1.00 0.00 O ATOM 928 CB PRO A 60 5.295 -13.397 20.968 1.00 0.00 C ATOM 929 CG PRO A 60 5.479 -14.051 19.642 1.00 0.00 C ATOM 930 CD PRO A 60 4.200 -13.820 18.886 1.00 0.00 C ATOM 0 HA PRO A 60 3.727 -11.934 21.502 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.251 -13.094 21.396 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.827 -14.075 21.682 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.329 -13.623 19.111 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.678 -15.117 19.757 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.379 -13.715 17.816 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.503 -14.648 19.013 1.00 0.00 H new ATOM 938 N ALA A 61 5.331 -10.483 19.227 1.00 0.00 N ATOM 939 CA ALA A 61 6.109 -9.296 18.893 1.00 0.00 C ATOM 940 C ALA A 61 5.232 -8.048 18.893 1.00 0.00 C ATOM 941 O ALA A 61 5.665 -6.975 19.310 1.00 0.00 O ATOM 942 CB ALA A 61 6.784 -9.470 17.541 1.00 0.00 C ATOM 0 H ALA A 61 4.866 -10.920 18.431 1.00 0.00 H new ATOM 0 HA ALA A 61 6.877 -9.168 19.656 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.361 -8.576 17.305 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.449 -10.333 17.575 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.026 -9.626 16.773 1.00 0.00 H new ATOM 948 N GLU A 62 3.999 -8.198 18.420 1.00 0.00 N ATOM 949 CA GLU A 62 3.063 -7.081 18.364 1.00 0.00 C ATOM 950 C GLU A 62 2.754 -6.559 19.765 1.00 0.00 C ATOM 951 O GLU A 62 2.777 -5.353 20.008 1.00 0.00 O ATOM 952 CB GLU A 62 1.767 -7.506 17.670 1.00 0.00 C ATOM 953 CG GLU A 62 0.524 -6.850 18.246 1.00 0.00 C ATOM 954 CD GLU A 62 -0.669 -6.941 17.314 1.00 0.00 C ATOM 955 OE1 GLU A 62 -0.661 -6.255 16.271 1.00 0.00 O ATOM 956 OE2 GLU A 62 -1.610 -7.699 17.629 1.00 0.00 O ATOM 0 H GLU A 62 3.625 -9.080 18.071 1.00 0.00 H new ATOM 0 HA GLU A 62 3.528 -6.280 17.790 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.837 -7.264 16.609 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.663 -8.589 17.744 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.275 -7.323 19.196 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.736 -5.802 18.458 1.00 0.00 H new ATOM 963 N ALA A 63 2.466 -7.477 20.682 1.00 0.00 N ATOM 964 CA ALA A 63 2.154 -7.110 22.058 1.00 0.00 C ATOM 965 C ALA A 63 3.411 -6.687 22.811 1.00 0.00 C ATOM 966 O ALA A 63 3.357 -5.837 23.699 1.00 0.00 O ATOM 967 CB ALA A 63 1.474 -8.269 22.771 1.00 0.00 C ATOM 0 H ALA A 63 2.442 -8.480 20.497 1.00 0.00 H new ATOM 0 HA ALA A 63 1.472 -6.260 22.037 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.247 -7.982 23.798 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.550 -8.524 22.252 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.138 -9.134 22.775 1.00 0.00 H new ATOM 973 N GLY A 64 4.542 -7.286 22.451 1.00 0.00 N ATOM 974 CA GLY A 64 5.795 -6.958 23.103 1.00 0.00 C ATOM 975 C GLY A 64 6.074 -5.468 23.108 1.00 0.00 C ATOM 976 O GLY A 64 6.771 -4.963 23.987 1.00 0.00 O ATOM 0 H GLY A 64 4.612 -7.993 21.719 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.773 -7.324 24.130 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.610 -7.475 22.597 1.00 0.00 H new ATOM 980 N GLY A 65 5.528 -4.762 22.123 1.00 0.00 N ATOM 981 CA GLY A 65 5.735 -3.328 22.035 1.00 0.00 C ATOM 982 C GLY A 65 6.375 -2.914 20.724 1.00 0.00 C ATOM 983 O GLY A 65 6.885 -1.800 20.598 1.00 0.00 O ATOM 0 H GLY A 65 4.946 -5.157 21.384 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.778 -2.818 22.145 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.366 -3.004 22.862 1.00 0.00 H new ATOM 987 N LEU A 66 6.352 -3.813 19.746 1.00 0.00 N ATOM 988 CA LEU A 66 6.936 -3.536 18.439 1.00 0.00 C ATOM 989 C LEU A 66 5.918 -2.874 17.516 1.00 0.00 C ATOM 990 O LEU A 66 4.853 -3.431 17.247 1.00 0.00 O ATOM 991 CB LEU A 66 7.451 -4.829 17.804 1.00 0.00 C ATOM 992 CG LEU A 66 8.652 -5.481 18.489 1.00 0.00 C ATOM 993 CD1 LEU A 66 8.988 -6.809 17.828 1.00 0.00 C ATOM 994 CD2 LEU A 66 9.855 -4.549 18.457 1.00 0.00 C ATOM 0 H LEU A 66 5.935 -4.740 19.834 1.00 0.00 H new ATOM 0 HA LEU A 66 7.771 -2.850 18.580 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.634 -5.550 17.783 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.718 -4.620 16.768 1.00 0.00 H new ATOM 0 HG LEU A 66 8.392 -5.672 19.530 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.845 -7.258 18.329 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.132 -7.479 17.903 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.228 -6.642 16.778 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.701 -5.029 18.949 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.116 -4.327 17.422 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.611 -3.622 18.977 1.00 0.00 H new ATOM 1006 N LYS A 67 6.252 -1.682 17.033 1.00 0.00 N ATOM 1007 CA LYS A 67 5.369 -0.944 16.138 1.00 0.00 C ATOM 1008 C LYS A 67 6.012 -0.765 14.766 1.00 0.00 C ATOM 1009 O LYS A 67 7.233 -0.664 14.652 1.00 0.00 O ATOM 1010 CB LYS A 67 5.029 0.423 16.736 1.00 0.00 C ATOM 1011 CG LYS A 67 4.007 0.358 17.858 1.00 0.00 C ATOM 1012 CD LYS A 67 2.587 0.433 17.323 1.00 0.00 C ATOM 1013 CE LYS A 67 1.563 0.290 18.438 1.00 0.00 C ATOM 1014 NZ LYS A 67 0.649 1.464 18.506 1.00 0.00 N ATOM 0 H LYS A 67 7.129 -1.206 17.247 1.00 0.00 H new ATOM 0 HA LYS A 67 4.451 -1.519 16.018 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.942 0.882 17.114 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.649 1.071 15.947 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.138 -0.568 18.417 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.178 1.178 18.555 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.439 1.384 16.812 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.434 -0.353 16.584 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.979 -0.616 18.280 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.078 0.175 19.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.034 1.328 19.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.204 2.326 18.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.138 1.559 17.605 1.00 0.00 H new ATOM 1028 N GLU A 68 5.181 -0.724 13.729 1.00 0.00 N ATOM 1029 CA GLU A 68 5.671 -0.556 12.366 1.00 0.00 C ATOM 1030 C GLU A 68 6.597 0.653 12.265 1.00 0.00 C ATOM 1031 O GLU A 68 6.533 1.567 13.086 1.00 0.00 O ATOM 1032 CB GLU A 68 4.498 -0.395 11.396 1.00 0.00 C ATOM 1033 CG GLU A 68 4.888 -0.561 9.936 1.00 0.00 C ATOM 1034 CD GLU A 68 3.710 -0.399 8.995 1.00 0.00 C ATOM 1035 OE1 GLU A 68 2.585 -0.779 9.381 1.00 0.00 O ATOM 1036 OE2 GLU A 68 3.914 0.109 7.873 1.00 0.00 O ATOM 0 H GLU A 68 4.167 -0.805 13.807 1.00 0.00 H new ATOM 0 HA GLU A 68 6.237 -1.448 12.098 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.730 -1.127 11.644 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.055 0.591 11.535 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.654 0.172 9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.330 -1.547 9.792 1.00 0.00 H new ATOM 1043 N ASN A 69 7.458 0.648 11.253 1.00 0.00 N ATOM 1044 CA ASN A 69 8.399 1.743 11.045 1.00 0.00 C ATOM 1045 C ASN A 69 9.372 1.853 12.214 1.00 0.00 C ATOM 1046 O ASN A 69 9.811 2.947 12.569 1.00 0.00 O ATOM 1047 CB ASN A 69 7.647 3.063 10.866 1.00 0.00 C ATOM 1048 CG ASN A 69 6.349 2.890 10.101 1.00 0.00 C ATOM 1049 OD1 ASN A 69 6.328 2.306 9.017 1.00 0.00 O ATOM 1050 ND2 ASN A 69 5.259 3.398 10.662 1.00 0.00 N ATOM 0 H ASN A 69 7.524 -0.102 10.564 1.00 0.00 H new ATOM 0 HA ASN A 69 8.969 1.532 10.140 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.434 3.492 11.845 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.285 3.773 10.339 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.357 3.312 10.193 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.323 3.874 11.562 1.00 0.00 H new ATOM 1057 N ASP A 70 9.706 0.713 12.809 1.00 0.00 N ATOM 1058 CA ASP A 70 10.628 0.681 13.938 1.00 0.00 C ATOM 1059 C ASP A 70 12.051 0.394 13.469 1.00 0.00 C ATOM 1060 O ASP A 70 12.268 -0.031 12.334 1.00 0.00 O ATOM 1061 CB ASP A 70 10.190 -0.377 14.952 1.00 0.00 C ATOM 1062 CG ASP A 70 9.519 0.230 16.169 1.00 0.00 C ATOM 1063 OD1 ASP A 70 8.740 1.191 15.998 1.00 0.00 O ATOM 1064 OD2 ASP A 70 9.774 -0.255 17.291 1.00 0.00 O ATOM 0 H ASP A 70 9.352 -0.201 12.528 1.00 0.00 H new ATOM 0 HA ASP A 70 10.612 1.660 14.416 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.503 -1.074 14.472 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.059 -0.954 15.269 1.00 0.00 H new ATOM 1069 N VAL A 71 13.018 0.632 14.349 1.00 0.00 N ATOM 1070 CA VAL A 71 14.421 0.400 14.025 1.00 0.00 C ATOM 1071 C VAL A 71 15.193 -0.090 15.245 1.00 0.00 C ATOM 1072 O VAL A 71 15.570 0.699 16.111 1.00 0.00 O ATOM 1073 CB VAL A 71 15.091 1.678 13.487 1.00 0.00 C ATOM 1074 CG1 VAL A 71 16.491 1.372 12.975 1.00 0.00 C ATOM 1075 CG2 VAL A 71 14.240 2.306 12.393 1.00 0.00 C ATOM 0 H VAL A 71 12.856 0.985 15.292 1.00 0.00 H new ATOM 0 HA VAL A 71 14.445 -0.367 13.251 1.00 0.00 H new ATOM 0 HB VAL A 71 15.177 2.394 14.304 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.949 2.287 12.599 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.096 0.971 13.788 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.432 0.639 12.171 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.729 3.208 12.025 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.120 1.597 11.573 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.261 2.563 12.796 1.00 0.00 H new ATOM 1085 N ILE A 72 15.424 -1.397 15.305 1.00 0.00 N ATOM 1086 CA ILE A 72 16.153 -1.992 16.418 1.00 0.00 C ATOM 1087 C ILE A 72 17.632 -1.627 16.366 1.00 0.00 C ATOM 1088 O ILE A 72 18.281 -1.769 15.329 1.00 0.00 O ATOM 1089 CB ILE A 72 16.015 -3.526 16.425 1.00 0.00 C ATOM 1090 CG1 ILE A 72 14.540 -3.927 16.494 1.00 0.00 C ATOM 1091 CG2 ILE A 72 16.786 -4.122 17.594 1.00 0.00 C ATOM 1092 CD1 ILE A 72 14.149 -4.969 15.469 1.00 0.00 C ATOM 0 H ILE A 72 15.117 -2.064 14.597 1.00 0.00 H new ATOM 0 HA ILE A 72 15.715 -1.591 17.332 1.00 0.00 H new ATOM 0 HB ILE A 72 16.436 -3.918 15.499 1.00 0.00 H new ATOM 0 HG12 ILE A 72 14.322 -4.310 17.491 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.923 -3.040 16.352 1.00 0.00 H new ATOM 0 HG21 ILE A 72 16.679 -5.207 17.585 1.00 0.00 H new ATOM 0 HG22 ILE A 72 17.841 -3.861 17.505 1.00 0.00 H new ATOM 0 HG23 ILE A 72 16.392 -3.726 18.530 1.00 0.00 H new ATOM 0 HD11 ILE A 72 13.090 -5.205 15.576 1.00 0.00 H new ATOM 0 HD12 ILE A 72 14.335 -4.582 14.467 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.740 -5.872 15.624 1.00 0.00 H new ATOM 1104 N ILE A 73 18.160 -1.156 17.491 1.00 0.00 N ATOM 1105 CA ILE A 73 19.564 -0.773 17.573 1.00 0.00 C ATOM 1106 C ILE A 73 20.367 -1.796 18.370 1.00 0.00 C ATOM 1107 O ILE A 73 21.577 -1.928 18.188 1.00 0.00 O ATOM 1108 CB ILE A 73 19.732 0.613 18.223 1.00 0.00 C ATOM 1109 CG1 ILE A 73 18.959 0.680 19.542 1.00 0.00 C ATOM 1110 CG2 ILE A 73 19.262 1.704 17.272 1.00 0.00 C ATOM 1111 CD1 ILE A 73 19.794 1.160 20.708 1.00 0.00 C ATOM 0 H ILE A 73 17.637 -1.031 18.358 1.00 0.00 H new ATOM 0 HA ILE A 73 19.941 -0.734 16.551 1.00 0.00 H new ATOM 0 HB ILE A 73 20.789 0.772 18.435 1.00 0.00 H new ATOM 0 HG12 ILE A 73 18.104 1.345 19.419 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.563 -0.309 19.772 1.00 0.00 H new ATOM 0 HG21 ILE A 73 19.387 2.678 17.745 1.00 0.00 H new ATOM 0 HG22 ILE A 73 19.852 1.667 16.356 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.210 1.549 17.032 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.181 1.182 21.609 1.00 0.00 H new ATOM 0 HD12 ILE A 73 20.634 0.482 20.857 1.00 0.00 H new ATOM 0 HD13 ILE A 73 20.169 2.162 20.499 1.00 0.00 H new ATOM 1123 N SER A 74 19.685 -2.519 19.252 1.00 0.00 N ATOM 1124 CA SER A 74 20.335 -3.530 20.078 1.00 0.00 C ATOM 1125 C SER A 74 19.318 -4.539 20.602 1.00 0.00 C ATOM 1126 O SER A 74 18.129 -4.237 20.714 1.00 0.00 O ATOM 1127 CB SER A 74 21.065 -2.869 21.248 1.00 0.00 C ATOM 1128 OG SER A 74 21.538 -3.839 22.167 1.00 0.00 O ATOM 0 H SER A 74 18.682 -2.424 19.413 1.00 0.00 H new ATOM 0 HA SER A 74 21.060 -4.059 19.459 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.902 -2.280 20.873 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.393 -2.179 21.757 1.00 0.00 H new ATOM 0 HG SER A 74 22.002 -3.391 22.905 1.00 0.00 H new ATOM 1134 N ILE A 75 19.794 -5.737 20.923 1.00 0.00 N ATOM 1135 CA ILE A 75 18.928 -6.790 21.437 1.00 0.00 C ATOM 1136 C ILE A 75 19.681 -7.700 22.401 1.00 0.00 C ATOM 1137 O ILE A 75 20.734 -8.240 22.066 1.00 0.00 O ATOM 1138 CB ILE A 75 18.341 -7.643 20.296 1.00 0.00 C ATOM 1139 CG1 ILE A 75 17.532 -6.767 19.338 1.00 0.00 C ATOM 1140 CG2 ILE A 75 17.476 -8.760 20.861 1.00 0.00 C ATOM 1141 CD1 ILE A 75 16.923 -7.533 18.185 1.00 0.00 C ATOM 0 H ILE A 75 20.775 -6.002 20.836 1.00 0.00 H new ATOM 0 HA ILE A 75 18.113 -6.297 21.968 1.00 0.00 H new ATOM 0 HB ILE A 75 19.163 -8.093 19.739 1.00 0.00 H new ATOM 0 HG12 ILE A 75 16.736 -6.272 19.895 1.00 0.00 H new ATOM 0 HG13 ILE A 75 18.178 -5.984 18.942 1.00 0.00 H new ATOM 0 HG21 ILE A 75 17.068 -9.354 20.043 1.00 0.00 H new ATOM 0 HG22 ILE A 75 18.081 -9.398 21.506 1.00 0.00 H new ATOM 0 HG23 ILE A 75 16.658 -8.330 21.439 1.00 0.00 H new ATOM 0 HD11 ILE A 75 16.364 -6.848 17.548 1.00 0.00 H new ATOM 0 HD12 ILE A 75 17.715 -8.005 17.604 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.251 -8.299 18.572 1.00 0.00 H new ATOM 1153 N ASN A 76 19.132 -7.867 23.600 1.00 0.00 N ATOM 1154 CA ASN A 76 19.751 -8.713 24.614 1.00 0.00 C ATOM 1155 C ASN A 76 21.113 -8.161 25.025 1.00 0.00 C ATOM 1156 O ASN A 76 21.987 -8.904 25.468 1.00 0.00 O ATOM 1157 CB ASN A 76 19.904 -10.142 24.090 1.00 0.00 C ATOM 1158 CG ASN A 76 19.302 -11.169 25.030 1.00 0.00 C ATOM 1159 OD1 ASN A 76 19.606 -11.189 26.223 1.00 0.00 O ATOM 1160 ND2 ASN A 76 18.444 -12.030 24.494 1.00 0.00 N ATOM 0 H ASN A 76 18.259 -7.427 23.893 1.00 0.00 H new ATOM 0 HA ASN A 76 19.103 -8.722 25.490 1.00 0.00 H new ATOM 0 HB2 ASN A 76 19.425 -10.222 23.114 1.00 0.00 H new ATOM 0 HB3 ASN A 76 20.962 -10.362 23.945 1.00 0.00 H new ATOM 0 HD21 ASN A 76 18.008 -12.745 25.076 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.221 -11.976 23.500 1.00 0.00 H new ATOM 1167 N GLY A 77 21.284 -6.851 24.875 1.00 0.00 N ATOM 1168 CA GLY A 77 22.541 -6.221 25.235 1.00 0.00 C ATOM 1169 C GLY A 77 23.572 -6.310 24.128 1.00 0.00 C ATOM 1170 O GLY A 77 24.772 -6.199 24.379 1.00 0.00 O ATOM 0 H GLY A 77 20.575 -6.215 24.511 1.00 0.00 H new ATOM 0 HA2 GLY A 77 22.362 -5.173 25.478 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.936 -6.694 26.134 1.00 0.00 H new ATOM 1174 N GLN A 78 23.104 -6.511 22.900 1.00 0.00 N ATOM 1175 CA GLN A 78 23.996 -6.617 21.751 1.00 0.00 C ATOM 1176 C GLN A 78 23.506 -5.746 20.600 1.00 0.00 C ATOM 1177 O GLN A 78 22.416 -5.959 20.067 1.00 0.00 O ATOM 1178 CB GLN A 78 24.103 -8.074 21.295 1.00 0.00 C ATOM 1179 CG GLN A 78 25.484 -8.675 21.499 1.00 0.00 C ATOM 1180 CD GLN A 78 26.430 -8.366 20.355 1.00 0.00 C ATOM 1181 OE1 GLN A 78 26.695 -9.217 19.506 1.00 0.00 O ATOM 1182 NE2 GLN A 78 26.945 -7.142 20.326 1.00 0.00 N ATOM 0 H GLN A 78 22.113 -6.604 22.675 1.00 0.00 H new ATOM 0 HA GLN A 78 24.982 -6.265 22.054 1.00 0.00 H new ATOM 0 HB2 GLN A 78 23.372 -8.671 21.840 1.00 0.00 H new ATOM 0 HB3 GLN A 78 23.841 -8.136 20.239 1.00 0.00 H new ATOM 0 HG2 GLN A 78 25.908 -8.295 22.429 1.00 0.00 H new ATOM 0 HG3 GLN A 78 25.393 -9.756 21.609 1.00 0.00 H new ATOM 0 HE21 GLN A 78 26.698 -6.468 21.050 1.00 0.00 H new ATOM 0 HE22 GLN A 78 27.587 -6.877 19.579 1.00 0.00 H new ATOM 1191 N SER A 79 24.317 -4.764 20.220 1.00 0.00 N ATOM 1192 CA SER A 79 23.964 -3.858 19.134 1.00 0.00 C ATOM 1193 C SER A 79 23.973 -4.586 17.793 1.00 0.00 C ATOM 1194 O SER A 79 24.934 -5.278 17.456 1.00 0.00 O ATOM 1195 CB SER A 79 24.936 -2.676 19.091 1.00 0.00 C ATOM 1196 OG SER A 79 24.356 -1.519 19.667 1.00 0.00 O ATOM 0 H SER A 79 25.223 -4.576 20.648 1.00 0.00 H new ATOM 0 HA SER A 79 22.956 -3.485 19.319 1.00 0.00 H new ATOM 0 HB2 SER A 79 25.850 -2.933 19.626 1.00 0.00 H new ATOM 0 HB3 SER A 79 25.218 -2.470 18.058 1.00 0.00 H new ATOM 0 HG SER A 79 23.442 -1.410 19.331 1.00 0.00 H new ATOM 1202 N VAL A 80 22.895 -4.426 17.033 1.00 0.00 N ATOM 1203 CA VAL A 80 22.777 -5.067 15.728 1.00 0.00 C ATOM 1204 C VAL A 80 22.876 -4.044 14.603 1.00 0.00 C ATOM 1205 O VAL A 80 22.753 -2.840 14.830 1.00 0.00 O ATOM 1206 CB VAL A 80 21.446 -5.831 15.597 1.00 0.00 C ATOM 1207 CG1 VAL A 80 21.295 -6.839 16.726 1.00 0.00 C ATOM 1208 CG2 VAL A 80 20.275 -4.861 15.577 1.00 0.00 C ATOM 0 H VAL A 80 22.090 -3.858 17.298 1.00 0.00 H new ATOM 0 HA VAL A 80 23.603 -5.774 15.646 1.00 0.00 H new ATOM 0 HB VAL A 80 21.452 -6.377 14.654 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.349 -7.369 16.617 1.00 0.00 H new ATOM 0 HG12 VAL A 80 22.117 -7.553 16.688 1.00 0.00 H new ATOM 0 HG13 VAL A 80 21.310 -6.318 17.683 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.343 -5.418 15.484 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.263 -4.286 16.503 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.379 -4.183 14.730 1.00 0.00 H new ATOM 1218 N VAL A 81 23.099 -4.531 13.386 1.00 0.00 N ATOM 1219 CA VAL A 81 23.214 -3.659 12.223 1.00 0.00 C ATOM 1220 C VAL A 81 22.534 -4.275 11.005 1.00 0.00 C ATOM 1221 O VAL A 81 22.871 -3.956 9.865 1.00 0.00 O ATOM 1222 CB VAL A 81 24.688 -3.369 11.882 1.00 0.00 C ATOM 1223 CG1 VAL A 81 25.285 -2.390 12.882 1.00 0.00 C ATOM 1224 CG2 VAL A 81 25.490 -4.661 11.844 1.00 0.00 C ATOM 0 H VAL A 81 23.204 -5.525 13.180 1.00 0.00 H new ATOM 0 HA VAL A 81 22.717 -2.723 12.479 1.00 0.00 H new ATOM 0 HB VAL A 81 24.731 -2.912 10.893 1.00 0.00 H new ATOM 0 HG11 VAL A 81 26.327 -2.197 12.625 1.00 0.00 H new ATOM 0 HG12 VAL A 81 24.725 -1.455 12.854 1.00 0.00 H new ATOM 0 HG13 VAL A 81 25.231 -2.815 13.884 1.00 0.00 H new ATOM 0 HG21 VAL A 81 26.529 -4.437 11.602 1.00 0.00 H new ATOM 0 HG22 VAL A 81 25.441 -5.148 12.818 1.00 0.00 H new ATOM 0 HG23 VAL A 81 25.075 -5.325 11.085 1.00 0.00 H new ATOM 1234 N SER A 82 21.574 -5.160 11.255 1.00 0.00 N ATOM 1235 CA SER A 82 20.848 -5.824 10.179 1.00 0.00 C ATOM 1236 C SER A 82 19.656 -6.603 10.728 1.00 0.00 C ATOM 1237 O SER A 82 19.633 -6.980 11.898 1.00 0.00 O ATOM 1238 CB SER A 82 21.778 -6.767 9.413 1.00 0.00 C ATOM 1239 OG SER A 82 21.144 -7.277 8.253 1.00 0.00 O ATOM 0 H SER A 82 21.281 -5.434 12.193 1.00 0.00 H new ATOM 0 HA SER A 82 20.477 -5.058 9.498 1.00 0.00 H new ATOM 0 HB2 SER A 82 22.687 -6.236 9.131 1.00 0.00 H new ATOM 0 HB3 SER A 82 22.078 -7.592 10.060 1.00 0.00 H new ATOM 0 HG SER A 82 21.105 -8.255 8.304 1.00 0.00 H new ATOM 1245 N ALA A 83 18.667 -6.838 9.872 1.00 0.00 N ATOM 1246 CA ALA A 83 17.472 -7.573 10.269 1.00 0.00 C ATOM 1247 C ALA A 83 17.792 -9.041 10.532 1.00 0.00 C ATOM 1248 O ALA A 83 17.046 -9.734 11.221 1.00 0.00 O ATOM 1249 CB ALA A 83 16.396 -7.449 9.200 1.00 0.00 C ATOM 0 H ALA A 83 18.670 -6.530 8.900 1.00 0.00 H new ATOM 0 HA ALA A 83 17.099 -7.138 11.196 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.510 -8.003 9.510 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.138 -6.399 9.063 1.00 0.00 H new ATOM 0 HB3 ALA A 83 16.768 -7.857 8.260 1.00 0.00 H new ATOM 1255 N ASN A 84 18.906 -9.507 9.977 1.00 0.00 N ATOM 1256 CA ASN A 84 19.324 -10.894 10.151 1.00 0.00 C ATOM 1257 C ASN A 84 19.886 -11.121 11.551 1.00 0.00 C ATOM 1258 O ASN A 84 19.685 -12.179 12.148 1.00 0.00 O ATOM 1259 CB ASN A 84 20.373 -11.267 9.102 1.00 0.00 C ATOM 1260 CG ASN A 84 21.736 -10.680 9.412 1.00 0.00 C ATOM 1261 OD1 ASN A 84 22.089 -9.607 8.921 1.00 0.00 O ATOM 1262 ND2 ASN A 84 22.511 -11.383 10.230 1.00 0.00 N ATOM 0 H ASN A 84 19.535 -8.945 9.403 1.00 0.00 H new ATOM 0 HA ASN A 84 18.448 -11.530 10.022 1.00 0.00 H new ATOM 0 HB2 ASN A 84 20.453 -12.352 9.043 1.00 0.00 H new ATOM 0 HB3 ASN A 84 20.044 -10.918 8.123 1.00 0.00 H new ATOM 0 HD21 ASN A 84 23.439 -11.039 10.474 1.00 0.00 H new ATOM 0 HD22 ASN A 84 22.178 -12.267 10.614 1.00 0.00 H new ATOM 1269 N ASP A 85 20.590 -10.120 12.069 1.00 0.00 N ATOM 1270 CA ASP A 85 21.180 -10.210 13.400 1.00 0.00 C ATOM 1271 C ASP A 85 20.096 -10.272 14.472 1.00 0.00 C ATOM 1272 O ASP A 85 20.189 -11.054 15.418 1.00 0.00 O ATOM 1273 CB ASP A 85 22.099 -9.014 13.655 1.00 0.00 C ATOM 1274 CG ASP A 85 23.558 -9.341 13.407 1.00 0.00 C ATOM 1275 OD1 ASP A 85 24.009 -10.417 13.853 1.00 0.00 O ATOM 1276 OD2 ASP A 85 24.248 -8.523 12.765 1.00 0.00 O ATOM 0 H ASP A 85 20.766 -9.238 11.588 1.00 0.00 H new ATOM 0 HA ASP A 85 21.767 -11.127 13.449 1.00 0.00 H new ATOM 0 HB2 ASP A 85 21.801 -8.187 13.011 1.00 0.00 H new ATOM 0 HB3 ASP A 85 21.975 -8.677 14.684 1.00 0.00 H new ATOM 1281 N VAL A 86 19.070 -9.442 14.318 1.00 0.00 N ATOM 1282 CA VAL A 86 17.968 -9.402 15.272 1.00 0.00 C ATOM 1283 C VAL A 86 17.133 -10.676 15.200 1.00 0.00 C ATOM 1284 O VAL A 86 16.508 -11.076 16.181 1.00 0.00 O ATOM 1285 CB VAL A 86 17.054 -8.187 15.024 1.00 0.00 C ATOM 1286 CG1 VAL A 86 17.834 -6.891 15.186 1.00 0.00 C ATOM 1287 CG2 VAL A 86 16.422 -8.270 13.643 1.00 0.00 C ATOM 0 H VAL A 86 18.979 -8.788 13.541 1.00 0.00 H new ATOM 0 HA VAL A 86 18.411 -9.317 16.264 1.00 0.00 H new ATOM 0 HB VAL A 86 16.255 -8.197 15.765 1.00 0.00 H new ATOM 0 HG11 VAL A 86 17.172 -6.043 15.007 1.00 0.00 H new ATOM 0 HG12 VAL A 86 18.235 -6.831 16.198 1.00 0.00 H new ATOM 0 HG13 VAL A 86 18.655 -6.868 14.469 1.00 0.00 H new ATOM 0 HG21 VAL A 86 15.779 -7.404 13.484 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.205 -8.285 12.885 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.828 -9.181 13.569 1.00 0.00 H new ATOM 1297 N SER A 87 17.128 -11.308 14.031 1.00 0.00 N ATOM 1298 CA SER A 87 16.367 -12.535 13.829 1.00 0.00 C ATOM 1299 C SER A 87 17.092 -13.731 14.440 1.00 0.00 C ATOM 1300 O SER A 87 16.474 -14.744 14.767 1.00 0.00 O ATOM 1301 CB SER A 87 16.132 -12.775 12.336 1.00 0.00 C ATOM 1302 OG SER A 87 17.269 -13.363 11.729 1.00 0.00 O ATOM 0 H SER A 87 17.642 -10.991 13.209 1.00 0.00 H new ATOM 0 HA SER A 87 15.404 -12.422 14.327 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.267 -13.424 12.201 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.901 -11.830 11.844 1.00 0.00 H new ATOM 0 HG SER A 87 18.079 -12.911 12.045 1.00 0.00 H new ATOM 1308 N ASP A 88 18.405 -13.604 14.589 1.00 0.00 N ATOM 1309 CA ASP A 88 19.216 -14.673 15.161 1.00 0.00 C ATOM 1310 C ASP A 88 18.959 -14.808 16.659 1.00 0.00 C ATOM 1311 O ASP A 88 18.979 -15.911 17.206 1.00 0.00 O ATOM 1312 CB ASP A 88 20.701 -14.407 14.908 1.00 0.00 C ATOM 1313 CG ASP A 88 21.156 -14.910 13.553 1.00 0.00 C ATOM 1314 OD1 ASP A 88 20.565 -15.890 13.054 1.00 0.00 O ATOM 1315 OD2 ASP A 88 22.104 -14.322 12.990 1.00 0.00 O ATOM 0 H ASP A 88 18.931 -12.772 14.322 1.00 0.00 H new ATOM 0 HA ASP A 88 18.935 -15.608 14.676 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.892 -13.336 14.978 1.00 0.00 H new ATOM 0 HB3 ASP A 88 21.291 -14.888 15.688 1.00 0.00 H new ATOM 1320 N VAL A 89 18.718 -13.679 17.317 1.00 0.00 N ATOM 1321 CA VAL A 89 18.456 -13.671 18.752 1.00 0.00 C ATOM 1322 C VAL A 89 17.134 -14.358 19.073 1.00 0.00 C ATOM 1323 O VAL A 89 16.921 -14.823 20.193 1.00 0.00 O ATOM 1324 CB VAL A 89 18.426 -12.235 19.309 1.00 0.00 C ATOM 1325 CG1 VAL A 89 18.306 -12.253 20.825 1.00 0.00 C ATOM 1326 CG2 VAL A 89 19.665 -11.469 18.873 1.00 0.00 C ATOM 0 H VAL A 89 18.699 -12.758 16.880 1.00 0.00 H new ATOM 0 HA VAL A 89 19.270 -14.219 19.226 1.00 0.00 H new ATOM 0 HB VAL A 89 17.551 -11.725 18.905 1.00 0.00 H new ATOM 0 HG11 VAL A 89 18.286 -11.230 21.201 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.386 -12.762 21.111 1.00 0.00 H new ATOM 0 HG13 VAL A 89 19.160 -12.780 21.251 1.00 0.00 H new ATOM 0 HG21 VAL A 89 19.627 -10.457 19.275 1.00 0.00 H new ATOM 0 HG22 VAL A 89 20.556 -11.975 19.246 1.00 0.00 H new ATOM 0 HG23 VAL A 89 19.702 -11.426 17.784 1.00 0.00 H new ATOM 1336 N ILE A 90 16.249 -14.417 18.084 1.00 0.00 N ATOM 1337 CA ILE A 90 14.947 -15.048 18.261 1.00 0.00 C ATOM 1338 C ILE A 90 15.090 -16.547 18.500 1.00 0.00 C ATOM 1339 O ILE A 90 14.450 -17.110 19.388 1.00 0.00 O ATOM 1340 CB ILE A 90 14.039 -14.819 17.038 1.00 0.00 C ATOM 1341 CG1 ILE A 90 13.995 -13.332 16.679 1.00 0.00 C ATOM 1342 CG2 ILE A 90 12.638 -15.345 17.313 1.00 0.00 C ATOM 1343 CD1 ILE A 90 13.157 -13.030 15.457 1.00 0.00 C ATOM 0 H ILE A 90 16.410 -14.036 17.152 1.00 0.00 H new ATOM 0 HA ILE A 90 14.489 -14.585 19.135 1.00 0.00 H new ATOM 0 HB ILE A 90 14.451 -15.366 16.190 1.00 0.00 H new ATOM 0 HG12 ILE A 90 13.600 -12.773 17.527 1.00 0.00 H new ATOM 0 HG13 ILE A 90 15.012 -12.977 16.509 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.008 -15.176 16.440 1.00 0.00 H new ATOM 0 HG22 ILE A 90 12.685 -16.413 17.525 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.215 -14.823 18.172 1.00 0.00 H new ATOM 0 HD11 ILE A 90 13.171 -11.958 15.262 1.00 0.00 H new ATOM 0 HD12 ILE A 90 13.564 -13.561 14.596 1.00 0.00 H new ATOM 0 HD13 ILE A 90 12.131 -13.354 15.631 1.00 0.00 H new ATOM 1355 N LYS A 91 15.937 -17.189 17.703 1.00 0.00 N ATOM 1356 CA LYS A 91 16.169 -18.623 17.828 1.00 0.00 C ATOM 1357 C LYS A 91 17.340 -18.905 18.764 1.00 0.00 C ATOM 1358 O LYS A 91 17.457 -20.000 19.314 1.00 0.00 O ATOM 1359 CB LYS A 91 16.442 -19.238 16.453 1.00 0.00 C ATOM 1360 CG LYS A 91 17.588 -18.576 15.707 1.00 0.00 C ATOM 1361 CD LYS A 91 18.774 -19.515 15.560 1.00 0.00 C ATOM 1362 CE LYS A 91 19.692 -19.447 16.770 1.00 0.00 C ATOM 1363 NZ LYS A 91 21.057 -19.956 16.459 1.00 0.00 N ATOM 0 H LYS A 91 16.475 -16.738 16.963 1.00 0.00 H new ATOM 0 HA LYS A 91 15.272 -19.076 18.250 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.664 -20.298 16.576 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.538 -19.170 15.848 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.248 -18.261 14.721 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.898 -17.677 16.239 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.417 -20.537 15.430 1.00 0.00 H new ATOM 0 HD3 LYS A 91 19.335 -19.257 14.662 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.759 -18.416 17.118 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.263 -20.031 17.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 21.653 -19.893 17.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 20.996 -20.948 16.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.476 -19.383 15.699 1.00 0.00 H new ATOM 1377 N ARG A 92 18.203 -17.910 18.942 1.00 0.00 N ATOM 1378 CA ARG A 92 19.363 -18.052 19.813 1.00 0.00 C ATOM 1379 C ARG A 92 18.951 -18.002 21.281 1.00 0.00 C ATOM 1380 O ARG A 92 19.197 -18.942 22.036 1.00 0.00 O ATOM 1381 CB ARG A 92 20.384 -16.950 19.521 1.00 0.00 C ATOM 1382 CG ARG A 92 21.692 -17.115 20.278 1.00 0.00 C ATOM 1383 CD ARG A 92 22.880 -17.174 19.330 1.00 0.00 C ATOM 1384 NE ARG A 92 24.153 -17.124 20.045 1.00 0.00 N ATOM 1385 CZ ARG A 92 24.688 -18.170 20.664 1.00 0.00 C ATOM 1386 NH1 ARG A 92 24.065 -19.340 20.657 1.00 0.00 N ATOM 1387 NH2 ARG A 92 25.850 -18.046 21.293 1.00 0.00 N ATOM 0 H ARG A 92 18.121 -16.997 18.495 1.00 0.00 H new ATOM 0 HA ARG A 92 19.818 -19.022 19.615 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.593 -16.934 18.451 1.00 0.00 H new ATOM 0 HB3 ARG A 92 19.946 -15.985 19.775 1.00 0.00 H new ATOM 0 HG2 ARG A 92 21.820 -16.284 20.972 1.00 0.00 H new ATOM 0 HG3 ARG A 92 21.656 -18.026 20.875 1.00 0.00 H new ATOM 0 HD2 ARG A 92 22.830 -18.091 18.742 1.00 0.00 H new ATOM 0 HD3 ARG A 92 22.825 -16.342 18.628 1.00 0.00 H new ATOM 0 HE ARG A 92 24.658 -16.238 20.070 1.00 0.00 H new ATOM 0 HH11 ARG A 92 23.172 -19.439 20.175 1.00 0.00 H new ATOM 0 HH12 ARG A 92 24.479 -20.141 21.134 1.00 0.00 H new ATOM 0 HH21 ARG A 92 26.332 -17.147 21.301 1.00 0.00 H new ATOM 0 HH22 ARG A 92 26.261 -18.849 21.768 1.00 0.00 H new ATOM 1401 N GLU A 93 18.324 -16.899 21.677 1.00 0.00 N ATOM 1402 CA GLU A 93 17.879 -16.728 23.055 1.00 0.00 C ATOM 1403 C GLU A 93 16.370 -16.926 23.169 1.00 0.00 C ATOM 1404 O GLU A 93 15.624 -16.646 22.230 1.00 0.00 O ATOM 1405 CB GLU A 93 18.262 -15.338 23.569 1.00 0.00 C ATOM 1406 CG GLU A 93 19.696 -14.948 23.257 1.00 0.00 C ATOM 1407 CD GLU A 93 20.708 -15.803 23.995 1.00 0.00 C ATOM 1408 OE1 GLU A 93 20.824 -17.002 23.667 1.00 0.00 O ATOM 1409 OE2 GLU A 93 21.383 -15.272 24.901 1.00 0.00 O ATOM 0 H GLU A 93 18.113 -16.111 21.064 1.00 0.00 H new ATOM 0 HA GLU A 93 18.374 -17.483 23.666 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.590 -14.600 23.131 1.00 0.00 H new ATOM 0 HB3 GLU A 93 18.112 -15.305 24.648 1.00 0.00 H new ATOM 0 HG2 GLU A 93 19.867 -15.035 22.184 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.849 -13.902 23.521 1.00 0.00 H new ATOM 1416 N SER A 94 15.928 -17.412 24.324 1.00 0.00 N ATOM 1417 CA SER A 94 14.509 -17.652 24.560 1.00 0.00 C ATOM 1418 C SER A 94 13.739 -16.337 24.626 1.00 0.00 C ATOM 1419 O SER A 94 12.589 -16.254 24.194 1.00 0.00 O ATOM 1420 CB SER A 94 14.312 -18.437 25.858 1.00 0.00 C ATOM 1421 OG SER A 94 14.049 -19.804 25.593 1.00 0.00 O ATOM 0 H SER A 94 16.532 -17.647 25.111 1.00 0.00 H new ATOM 0 HA SER A 94 14.122 -18.238 23.727 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.204 -18.349 26.479 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.486 -18.008 26.424 1.00 0.00 H new ATOM 0 HG SER A 94 13.929 -20.284 26.439 1.00 0.00 H new ATOM 1427 N THR A 95 14.382 -15.308 25.170 1.00 0.00 N ATOM 1428 CA THR A 95 13.759 -13.997 25.294 1.00 0.00 C ATOM 1429 C THR A 95 14.251 -13.049 24.207 1.00 0.00 C ATOM 1430 O THR A 95 15.118 -13.402 23.406 1.00 0.00 O ATOM 1431 CB THR A 95 14.041 -13.369 26.672 1.00 0.00 C ATOM 1432 OG1 THR A 95 14.406 -14.388 27.610 1.00 0.00 O ATOM 1433 CG2 THR A 95 12.823 -12.615 27.184 1.00 0.00 C ATOM 0 H THR A 95 15.334 -15.358 25.532 1.00 0.00 H new ATOM 0 HA THR A 95 12.685 -14.146 25.183 1.00 0.00 H new ATOM 0 HB THR A 95 14.865 -12.664 26.562 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.585 -13.980 28.483 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.047 -12.181 28.158 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.566 -11.821 26.483 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.982 -13.303 27.278 1.00 0.00 H new ATOM 1441 N LEU A 96 13.693 -11.843 24.182 1.00 0.00 N ATOM 1442 CA LEU A 96 14.076 -10.843 23.192 1.00 0.00 C ATOM 1443 C LEU A 96 14.014 -9.439 23.784 1.00 0.00 C ATOM 1444 O LEU A 96 12.982 -8.773 23.722 1.00 0.00 O ATOM 1445 CB LEU A 96 13.163 -10.933 21.968 1.00 0.00 C ATOM 1446 CG LEU A 96 13.199 -12.255 21.199 1.00 0.00 C ATOM 1447 CD1 LEU A 96 12.200 -12.233 20.053 1.00 0.00 C ATOM 1448 CD2 LEU A 96 14.603 -12.531 20.680 1.00 0.00 C ATOM 0 H LEU A 96 12.974 -11.535 24.836 1.00 0.00 H new ATOM 0 HA LEU A 96 15.103 -11.044 22.887 1.00 0.00 H new ATOM 0 HB2 LEU A 96 12.138 -10.751 22.290 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.429 -10.129 21.282 1.00 0.00 H new ATOM 0 HG LEU A 96 12.920 -13.058 21.881 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.240 -13.181 19.517 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.196 -12.082 20.449 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.447 -11.420 19.370 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.611 -13.475 20.135 1.00 0.00 H new ATOM 0 HD22 LEU A 96 14.909 -11.725 20.013 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.296 -12.591 21.519 1.00 0.00 H new ATOM 1460 N ASN A 97 15.128 -8.994 24.358 1.00 0.00 N ATOM 1461 CA ASN A 97 15.201 -7.668 24.960 1.00 0.00 C ATOM 1462 C ASN A 97 15.654 -6.630 23.937 1.00 0.00 C ATOM 1463 O ASN A 97 16.791 -6.162 23.975 1.00 0.00 O ATOM 1464 CB ASN A 97 16.160 -7.679 26.152 1.00 0.00 C ATOM 1465 CG ASN A 97 15.695 -8.602 27.261 1.00 0.00 C ATOM 1466 OD1 ASN A 97 15.229 -8.149 28.307 1.00 0.00 O ATOM 1467 ND2 ASN A 97 15.818 -9.905 27.037 1.00 0.00 N ATOM 0 H ASN A 97 15.992 -9.533 24.419 1.00 0.00 H new ATOM 0 HA ASN A 97 14.204 -7.398 25.307 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.149 -7.990 25.816 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.260 -6.667 26.544 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.521 -10.575 27.747 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.210 -10.236 26.155 1.00 0.00 H new ATOM 1474 N MET A 98 14.755 -6.276 23.025 1.00 0.00 N ATOM 1475 CA MET A 98 15.062 -5.292 21.993 1.00 0.00 C ATOM 1476 C MET A 98 14.954 -3.874 22.545 1.00 0.00 C ATOM 1477 O MET A 98 14.302 -3.641 23.563 1.00 0.00 O ATOM 1478 CB MET A 98 14.118 -5.461 20.800 1.00 0.00 C ATOM 1479 CG MET A 98 13.899 -6.911 20.400 1.00 0.00 C ATOM 1480 SD MET A 98 13.521 -7.097 18.647 1.00 0.00 S ATOM 1481 CE MET A 98 12.683 -8.680 18.648 1.00 0.00 C ATOM 0 H MET A 98 13.809 -6.655 22.979 1.00 0.00 H new ATOM 0 HA MET A 98 16.087 -5.457 21.662 1.00 0.00 H new ATOM 0 HB2 MET A 98 13.156 -5.010 21.042 1.00 0.00 H new ATOM 0 HB3 MET A 98 14.521 -4.914 19.948 1.00 0.00 H new ATOM 0 HG2 MET A 98 14.792 -7.489 20.639 1.00 0.00 H new ATOM 0 HG3 MET A 98 13.083 -7.328 20.990 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.991 -8.726 17.807 1.00 0.00 H new ATOM 0 HE2 MET A 98 13.417 -9.480 18.558 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.130 -8.798 19.580 1.00 0.00 H new ATOM 1491 N VAL A 99 15.596 -2.929 21.866 1.00 0.00 N ATOM 1492 CA VAL A 99 15.571 -1.533 22.288 1.00 0.00 C ATOM 1493 C VAL A 99 15.387 -0.602 21.095 1.00 0.00 C ATOM 1494 O VAL A 99 16.348 -0.263 20.404 1.00 0.00 O ATOM 1495 CB VAL A 99 16.865 -1.148 23.031 1.00 0.00 C ATOM 1496 CG1 VAL A 99 16.802 0.298 23.498 1.00 0.00 C ATOM 1497 CG2 VAL A 99 17.103 -2.086 24.204 1.00 0.00 C ATOM 0 H VAL A 99 16.140 -3.104 21.021 1.00 0.00 H new ATOM 0 HA VAL A 99 14.725 -1.422 22.966 1.00 0.00 H new ATOM 0 HB VAL A 99 17.703 -1.245 22.341 1.00 0.00 H new ATOM 0 HG11 VAL A 99 17.724 0.552 24.021 1.00 0.00 H new ATOM 0 HG12 VAL A 99 16.681 0.954 22.636 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.956 0.426 24.173 1.00 0.00 H new ATOM 0 HG21 VAL A 99 18.021 -1.800 24.718 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.264 -2.022 24.897 1.00 0.00 H new ATOM 0 HG23 VAL A 99 17.195 -3.109 23.839 1.00 0.00 H new ATOM 1507 N VAL A 100 14.145 -0.189 20.859 1.00 0.00 N ATOM 1508 CA VAL A 100 13.834 0.705 19.751 1.00 0.00 C ATOM 1509 C VAL A 100 13.713 2.148 20.227 1.00 0.00 C ATOM 1510 O VAL A 100 13.368 2.406 21.380 1.00 0.00 O ATOM 1511 CB VAL A 100 12.525 0.296 19.050 1.00 0.00 C ATOM 1512 CG1 VAL A 100 11.335 0.518 19.970 1.00 0.00 C ATOM 1513 CG2 VAL A 100 12.355 1.066 17.749 1.00 0.00 C ATOM 0 H VAL A 100 13.338 -0.460 21.421 1.00 0.00 H new ATOM 0 HA VAL A 100 14.657 0.627 19.041 1.00 0.00 H new ATOM 0 HB VAL A 100 12.577 -0.767 18.813 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.419 0.224 19.458 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.455 -0.082 20.872 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.276 1.572 20.241 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.425 0.765 17.267 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.325 2.135 17.960 1.00 0.00 H new ATOM 0 HG23 VAL A 100 13.193 0.851 17.087 1.00 0.00 H new ATOM 1523 N ARG A 101 14.000 3.087 19.330 1.00 0.00 N ATOM 1524 CA ARG A 101 13.924 4.505 19.659 1.00 0.00 C ATOM 1525 C ARG A 101 12.570 5.084 19.260 1.00 0.00 C ATOM 1526 O ARG A 101 12.218 5.109 18.080 1.00 0.00 O ATOM 1527 CB ARG A 101 15.046 5.274 18.958 1.00 0.00 C ATOM 1528 CG ARG A 101 16.418 5.043 19.571 1.00 0.00 C ATOM 1529 CD ARG A 101 16.544 5.724 20.925 1.00 0.00 C ATOM 1530 NE ARG A 101 17.938 5.947 21.298 1.00 0.00 N ATOM 1531 CZ ARG A 101 18.314 6.736 22.298 1.00 0.00 C ATOM 1532 NH1 ARG A 101 17.404 7.373 23.022 1.00 0.00 N ATOM 1533 NH2 ARG A 101 19.602 6.889 22.576 1.00 0.00 N ATOM 0 H ARG A 101 14.287 2.891 18.371 1.00 0.00 H new ATOM 0 HA ARG A 101 14.041 4.609 20.738 1.00 0.00 H new ATOM 0 HB2 ARG A 101 15.073 4.983 17.908 1.00 0.00 H new ATOM 0 HB3 ARG A 101 14.819 6.340 18.988 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.592 3.973 19.683 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.187 5.423 18.898 1.00 0.00 H new ATOM 0 HD2 ARG A 101 16.018 6.678 20.901 1.00 0.00 H new ATOM 0 HD3 ARG A 101 16.059 5.112 21.685 1.00 0.00 H new ATOM 0 HE ARG A 101 18.663 5.471 20.761 1.00 0.00 H new ATOM 0 HH11 ARG A 101 16.413 7.258 22.811 1.00 0.00 H new ATOM 0 HH12 ARG A 101 17.695 7.978 23.790 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.305 6.400 22.021 1.00 0.00 H new ATOM 0 HH22 ARG A 101 19.889 7.495 23.344 1.00 0.00 H new ATOM 1547 N ARG A 102 11.815 5.548 20.250 1.00 0.00 N ATOM 1548 CA ARG A 102 10.500 6.125 20.003 1.00 0.00 C ATOM 1549 C ARG A 102 10.514 7.632 20.238 1.00 0.00 C ATOM 1550 O ARG A 102 10.472 8.094 21.377 1.00 0.00 O ATOM 1551 CB ARG A 102 9.453 5.467 20.904 1.00 0.00 C ATOM 1552 CG ARG A 102 8.215 4.998 20.158 1.00 0.00 C ATOM 1553 CD ARG A 102 7.709 3.669 20.698 1.00 0.00 C ATOM 1554 NE ARG A 102 7.900 2.582 19.741 1.00 0.00 N ATOM 1555 CZ ARG A 102 7.464 1.343 19.940 1.00 0.00 C ATOM 1556 NH1 ARG A 102 6.816 1.036 21.055 1.00 0.00 N ATOM 1557 NH2 ARG A 102 7.676 0.408 19.023 1.00 0.00 N ATOM 0 H ARG A 102 12.092 5.535 21.232 1.00 0.00 H new ATOM 0 HA ARG A 102 10.240 5.940 18.961 1.00 0.00 H new ATOM 0 HB2 ARG A 102 9.906 4.615 21.411 1.00 0.00 H new ATOM 0 HB3 ARG A 102 9.154 6.175 21.677 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.430 5.750 20.244 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.444 4.897 19.097 1.00 0.00 H new ATOM 0 HD2 ARG A 102 8.231 3.432 21.625 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.650 3.756 20.942 1.00 0.00 H new ATOM 0 HE ARG A 102 8.395 2.785 18.873 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.651 1.752 21.763 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.482 0.084 21.205 1.00 0.00 H new ATOM 0 HH21 ARG A 102 8.174 0.640 18.164 1.00 0.00 H new ATOM 0 HH22 ARG A 102 7.341 -0.543 19.177 1.00 0.00 H new ATOM 1571 N GLY A 103 10.574 8.395 19.150 1.00 0.00 N ATOM 1572 CA GLY A 103 10.594 9.842 19.259 1.00 0.00 C ATOM 1573 C GLY A 103 11.955 10.375 19.658 1.00 0.00 C ATOM 1574 O GLY A 103 12.779 10.695 18.803 1.00 0.00 O ATOM 0 H GLY A 103 10.609 8.037 18.196 1.00 0.00 H new ATOM 0 HA2 GLY A 103 10.302 10.279 18.304 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.854 10.158 19.994 1.00 0.00 H new ATOM 1578 N ASN A 104 12.192 10.472 20.963 1.00 0.00 N ATOM 1579 CA ASN A 104 13.463 10.973 21.474 1.00 0.00 C ATOM 1580 C ASN A 104 13.895 10.196 22.714 1.00 0.00 C ATOM 1581 O ASN A 104 14.513 10.751 23.621 1.00 0.00 O ATOM 1582 CB ASN A 104 13.353 12.463 21.804 1.00 0.00 C ATOM 1583 CG ASN A 104 13.468 13.338 20.571 1.00 0.00 C ATOM 1584 OD1 ASN A 104 14.302 13.095 19.699 1.00 0.00 O ATOM 1585 ND2 ASN A 104 12.629 14.364 20.494 1.00 0.00 N ATOM 0 H ASN A 104 11.521 10.210 21.685 1.00 0.00 H new ATOM 0 HA ASN A 104 14.217 10.835 20.699 1.00 0.00 H new ATOM 0 HB2 ASN A 104 12.398 12.654 22.294 1.00 0.00 H new ATOM 0 HB3 ASN A 104 14.135 12.734 22.513 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.660 14.989 19.688 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.954 14.528 21.241 1.00 0.00 H new ATOM 1592 N GLU A 105 13.564 8.909 22.744 1.00 0.00 N ATOM 1593 CA GLU A 105 13.917 8.057 23.873 1.00 0.00 C ATOM 1594 C GLU A 105 13.944 6.588 23.459 1.00 0.00 C ATOM 1595 O GLU A 105 13.307 6.196 22.481 1.00 0.00 O ATOM 1596 CB GLU A 105 12.926 8.256 25.021 1.00 0.00 C ATOM 1597 CG GLU A 105 11.471 8.179 24.590 1.00 0.00 C ATOM 1598 CD GLU A 105 10.509 8.284 25.757 1.00 0.00 C ATOM 1599 OE1 GLU A 105 10.482 7.353 26.590 1.00 0.00 O ATOM 1600 OE2 GLU A 105 9.784 9.297 25.838 1.00 0.00 O ATOM 0 H GLU A 105 13.052 8.434 22.000 1.00 0.00 H new ATOM 0 HA GLU A 105 14.914 8.340 24.210 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.111 7.500 25.784 1.00 0.00 H new ATOM 0 HB3 GLU A 105 13.108 9.226 25.483 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.264 8.980 23.880 1.00 0.00 H new ATOM 0 HG3 GLU A 105 11.300 7.238 24.067 1.00 0.00 H new ATOM 1607 N ASP A 106 14.686 5.782 24.209 1.00 0.00 N ATOM 1608 CA ASP A 106 14.797 4.356 23.922 1.00 0.00 C ATOM 1609 C ASP A 106 13.857 3.548 24.811 1.00 0.00 C ATOM 1610 O ASP A 106 13.762 3.793 26.014 1.00 0.00 O ATOM 1611 CB ASP A 106 16.238 3.884 24.120 1.00 0.00 C ATOM 1612 CG ASP A 106 16.719 4.076 25.545 1.00 0.00 C ATOM 1613 OD1 ASP A 106 16.470 3.182 26.380 1.00 0.00 O ATOM 1614 OD2 ASP A 106 17.345 5.120 25.825 1.00 0.00 O ATOM 0 H ASP A 106 15.220 6.091 25.021 1.00 0.00 H new ATOM 0 HA ASP A 106 14.511 4.197 22.882 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.312 2.830 23.854 1.00 0.00 H new ATOM 0 HB3 ASP A 106 16.893 4.431 23.442 1.00 0.00 H new ATOM 1619 N ILE A 107 13.165 2.585 24.211 1.00 0.00 N ATOM 1620 CA ILE A 107 12.234 1.741 24.948 1.00 0.00 C ATOM 1621 C ILE A 107 12.563 0.264 24.760 1.00 0.00 C ATOM 1622 O ILE A 107 12.907 -0.170 23.662 1.00 0.00 O ATOM 1623 CB ILE A 107 10.779 1.992 24.509 1.00 0.00 C ATOM 1624 CG1 ILE A 107 10.441 3.480 24.611 1.00 0.00 C ATOM 1625 CG2 ILE A 107 9.821 1.166 25.355 1.00 0.00 C ATOM 1626 CD1 ILE A 107 9.086 3.833 24.039 1.00 0.00 C ATOM 0 H ILE A 107 13.232 2.370 23.216 1.00 0.00 H new ATOM 0 HA ILE A 107 12.337 2.002 26.001 1.00 0.00 H new ATOM 0 HB ILE A 107 10.671 1.686 23.469 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.474 3.781 25.658 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.207 4.055 24.090 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.797 1.354 25.033 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.050 0.107 25.235 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.929 1.444 26.403 1.00 0.00 H new ATOM 0 HD11 ILE A 107 8.914 4.904 24.146 1.00 0.00 H new ATOM 0 HD12 ILE A 107 9.055 3.564 22.983 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.311 3.286 24.575 1.00 0.00 H new ATOM 1638 N MET A 108 12.452 -0.503 25.840 1.00 0.00 N ATOM 1639 CA MET A 108 12.735 -1.933 25.793 1.00 0.00 C ATOM 1640 C MET A 108 11.500 -2.717 25.361 1.00 0.00 C ATOM 1641 O MET A 108 10.395 -2.470 25.846 1.00 0.00 O ATOM 1642 CB MET A 108 13.214 -2.425 27.160 1.00 0.00 C ATOM 1643 CG MET A 108 14.670 -2.099 27.448 1.00 0.00 C ATOM 1644 SD MET A 108 15.382 -3.162 28.718 1.00 0.00 S ATOM 1645 CE MET A 108 16.928 -3.628 27.942 1.00 0.00 C ATOM 0 H MET A 108 12.168 -0.159 26.757 1.00 0.00 H new ATOM 0 HA MET A 108 13.524 -2.098 25.059 1.00 0.00 H new ATOM 0 HB2 MET A 108 12.591 -1.980 27.936 1.00 0.00 H new ATOM 0 HB3 MET A 108 13.074 -3.504 27.218 1.00 0.00 H new ATOM 0 HG2 MET A 108 15.249 -2.199 26.530 1.00 0.00 H new ATOM 0 HG3 MET A 108 14.750 -1.059 27.764 1.00 0.00 H new ATOM 0 HE1 MET A 108 17.485 -4.288 28.607 1.00 0.00 H new ATOM 0 HE2 MET A 108 16.723 -4.146 27.005 1.00 0.00 H new ATOM 0 HE3 MET A 108 17.518 -2.734 27.741 1.00 0.00 H new ATOM 1655 N ILE A 109 11.695 -3.663 24.448 1.00 0.00 N ATOM 1656 CA ILE A 109 10.597 -4.483 23.952 1.00 0.00 C ATOM 1657 C ILE A 109 10.864 -5.964 24.195 1.00 0.00 C ATOM 1658 O ILE A 109 11.580 -6.611 23.429 1.00 0.00 O ATOM 1659 CB ILE A 109 10.358 -4.255 22.448 1.00 0.00 C ATOM 1660 CG1 ILE A 109 10.125 -2.770 22.165 1.00 0.00 C ATOM 1661 CG2 ILE A 109 9.176 -5.084 21.968 1.00 0.00 C ATOM 1662 CD1 ILE A 109 8.967 -2.182 22.941 1.00 0.00 C ATOM 0 H ILE A 109 12.603 -3.880 24.037 1.00 0.00 H new ATOM 0 HA ILE A 109 9.705 -4.182 24.502 1.00 0.00 H new ATOM 0 HB ILE A 109 11.246 -4.574 21.902 1.00 0.00 H new ATOM 0 HG12 ILE A 109 11.032 -2.216 22.406 1.00 0.00 H new ATOM 0 HG13 ILE A 109 9.943 -2.636 21.099 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.020 -4.912 20.903 1.00 0.00 H new ATOM 0 HG22 ILE A 109 9.380 -6.141 22.139 1.00 0.00 H new ATOM 0 HG23 ILE A 109 8.281 -4.794 22.518 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.860 -1.126 22.691 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.050 -2.711 22.682 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.156 -2.284 24.010 1.00 0.00 H new ATOM 1674 N THR A 110 10.283 -6.498 25.265 1.00 0.00 N ATOM 1675 CA THR A 110 10.458 -7.904 25.609 1.00 0.00 C ATOM 1676 C THR A 110 9.476 -8.783 24.843 1.00 0.00 C ATOM 1677 O THR A 110 8.261 -8.632 24.972 1.00 0.00 O ATOM 1678 CB THR A 110 10.272 -8.140 27.119 1.00 0.00 C ATOM 1679 OG1 THR A 110 11.002 -7.157 27.863 1.00 0.00 O ATOM 1680 CG2 THR A 110 10.742 -9.532 27.511 1.00 0.00 C ATOM 0 H THR A 110 9.687 -5.978 25.909 1.00 0.00 H new ATOM 0 HA THR A 110 11.477 -8.174 25.330 1.00 0.00 H new ATOM 0 HB THR A 110 9.210 -8.054 27.349 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.877 -7.313 28.822 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.601 -9.675 28.582 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.164 -10.278 26.966 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.799 -9.642 27.266 1.00 0.00 H new ATOM 1688 N VAL A 111 10.010 -9.703 24.046 1.00 0.00 N ATOM 1689 CA VAL A 111 9.180 -10.609 23.261 1.00 0.00 C ATOM 1690 C VAL A 111 9.541 -12.064 23.537 1.00 0.00 C ATOM 1691 O VAL A 111 10.711 -12.398 23.728 1.00 0.00 O ATOM 1692 CB VAL A 111 9.322 -10.334 21.752 1.00 0.00 C ATOM 1693 CG1 VAL A 111 8.520 -11.346 20.947 1.00 0.00 C ATOM 1694 CG2 VAL A 111 8.883 -8.914 21.426 1.00 0.00 C ATOM 0 H VAL A 111 11.014 -9.841 23.927 1.00 0.00 H new ATOM 0 HA VAL A 111 8.147 -10.431 23.560 1.00 0.00 H new ATOM 0 HB VAL A 111 10.372 -10.438 21.479 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.632 -11.136 19.883 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.885 -12.351 21.159 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.467 -11.277 21.221 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.990 -8.737 20.356 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.840 -8.781 21.714 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.504 -8.206 21.975 1.00 0.00 H new ATOM 1704 N ILE A 112 8.530 -12.926 23.557 1.00 0.00 N ATOM 1705 CA ILE A 112 8.741 -14.346 23.808 1.00 0.00 C ATOM 1706 C ILE A 112 8.422 -15.177 22.570 1.00 0.00 C ATOM 1707 O ILE A 112 7.303 -15.654 22.383 1.00 0.00 O ATOM 1708 CB ILE A 112 7.878 -14.844 24.983 1.00 0.00 C ATOM 1709 CG1 ILE A 112 8.080 -13.949 26.207 1.00 0.00 C ATOM 1710 CG2 ILE A 112 8.219 -16.289 25.314 1.00 0.00 C ATOM 1711 CD1 ILE A 112 9.522 -13.850 26.653 1.00 0.00 C ATOM 0 H ILE A 112 7.556 -12.665 23.402 1.00 0.00 H new ATOM 0 HA ILE A 112 9.794 -14.468 24.063 1.00 0.00 H new ATOM 0 HB ILE A 112 6.829 -14.796 24.691 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.709 -12.949 25.981 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.479 -14.333 27.031 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.601 -16.627 26.146 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.029 -16.916 24.443 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.271 -16.360 25.590 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.589 -13.200 27.525 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.892 -14.842 26.911 1.00 0.00 H new ATOM 0 HD13 ILE A 112 10.125 -13.437 25.845 1.00 0.00 H new ATOM 1723 N PRO A 113 9.429 -15.356 21.703 1.00 0.00 N ATOM 1724 CA PRO A 113 9.282 -16.132 20.468 1.00 0.00 C ATOM 1725 C PRO A 113 9.117 -17.624 20.737 1.00 0.00 C ATOM 1726 O PRO A 113 9.882 -18.214 21.499 1.00 0.00 O ATOM 1727 CB PRO A 113 10.592 -15.865 19.722 1.00 0.00 C ATOM 1728 CG PRO A 113 11.573 -15.525 20.790 1.00 0.00 C ATOM 1729 CD PRO A 113 10.790 -14.817 21.861 1.00 0.00 C ATOM 0 HA PRO A 113 8.391 -15.844 19.910 1.00 0.00 H new ATOM 0 HB2 PRO A 113 10.911 -16.740 19.156 1.00 0.00 H new ATOM 0 HB3 PRO A 113 10.483 -15.047 19.010 1.00 0.00 H new ATOM 0 HG2 PRO A 113 12.048 -16.423 21.184 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.368 -14.888 20.402 1.00 0.00 H new ATOM 0 HD2 PRO A 113 11.191 -15.023 22.854 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.812 -13.736 21.726 1.00 0.00 H new ATOM 1737 N GLU A 114 8.115 -18.228 20.105 1.00 0.00 N ATOM 1738 CA GLU A 114 7.851 -19.651 20.278 1.00 0.00 C ATOM 1739 C GLU A 114 8.610 -20.475 19.242 1.00 0.00 C ATOM 1740 O GLU A 114 8.731 -20.076 18.085 1.00 0.00 O ATOM 1741 CB GLU A 114 6.350 -19.931 20.169 1.00 0.00 C ATOM 1742 CG GLU A 114 5.492 -18.977 20.982 1.00 0.00 C ATOM 1743 CD GLU A 114 5.743 -19.093 22.473 1.00 0.00 C ATOM 1744 OE1 GLU A 114 5.913 -20.230 22.960 1.00 0.00 O ATOM 1745 OE2 GLU A 114 5.770 -18.045 23.152 1.00 0.00 O ATOM 0 H GLU A 114 7.474 -17.754 19.469 1.00 0.00 H new ATOM 0 HA GLU A 114 8.196 -19.940 21.271 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.053 -19.871 19.122 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.155 -20.952 20.498 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.690 -17.954 20.663 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.440 -19.177 20.778 1.00 0.00 H new