USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 678 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 68 GLN : amide:sc= 0.801 K(o=0.8,f=-0.38) USER MOD Set 1.2: A 73 CYS SG : rot 180:sc=-0.00249 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -27:sc= 0.109 USER MOD Single : A 28 ASN : amide:sc= 0.314 K(o=0.31,f=-2.6!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 156:sc= -0.118 (180deg=-0.66) USER MOD Single : A 53 LYS NZ :NH3+ 145:sc= -0.122 (180deg=-0.518) USER MOD Single : A 55 HIS : no HE2:sc= 0.359 K(o=0.36,f=-1.7) USER MOD Single : A 57 THR OG1 : rot -76:sc= 0.825 USER MOD Single : A 64 HIS : no HD1:sc= -0.585 X(o=-0.59,f=-0.086) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot -22:sc= 0.149 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -154:sc= -0.134 (180deg=-0.76) USER MOD Single : A 92 CYS SG : rot 46:sc= -0.792 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 161:sc= -0.0236 (180deg=-0.317) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 258 N ILE A 20 -2.781 17.585 -3.691 1.00 0.00 N ATOM 259 CA ILE A 20 -1.785 16.649 -4.195 1.00 0.00 C ATOM 260 C ILE A 20 -2.434 15.553 -5.034 1.00 0.00 C ATOM 261 O ILE A 20 -3.428 14.951 -4.626 1.00 0.00 O ATOM 262 CB ILE A 20 -0.991 15.998 -3.047 1.00 0.00 C ATOM 263 CG1 ILE A 20 -0.303 17.071 -2.201 1.00 0.00 C ATOM 264 CG2 ILE A 20 0.030 15.015 -3.599 1.00 0.00 C ATOM 265 CD1 ILE A 20 0.343 16.529 -0.945 1.00 0.00 C ATOM 0 HA ILE A 20 -1.101 17.224 -4.819 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.685 15.450 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.457 17.567 -2.805 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.036 17.829 -1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.583 14.564 -2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.483 14.235 -4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.723 15.541 -4.256 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.811 17.345 -0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.416 16.058 -0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.100 15.792 -1.214 1.00 0.00 H new ATOM 277 N LYS A 21 -1.866 15.298 -6.207 1.00 0.00 N ATOM 278 CA LYS A 21 -2.386 14.273 -7.104 1.00 0.00 C ATOM 279 C LYS A 21 -1.332 13.207 -7.382 1.00 0.00 C ATOM 280 O LYS A 21 -0.212 13.280 -6.875 1.00 0.00 O ATOM 281 CB LYS A 21 -2.849 14.903 -8.419 1.00 0.00 C ATOM 282 CG LYS A 21 -3.796 16.075 -8.232 1.00 0.00 C ATOM 283 CD LYS A 21 -4.826 16.145 -9.347 1.00 0.00 C ATOM 284 CE LYS A 21 -4.793 17.492 -10.053 1.00 0.00 C ATOM 285 NZ LYS A 21 -6.120 17.849 -10.628 1.00 0.00 N ATOM 0 H LYS A 21 -1.044 15.788 -6.560 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.237 13.798 -6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.976 15.238 -8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.342 14.141 -9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.304 15.984 -7.272 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.226 17.003 -8.204 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.637 15.350 -10.069 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.821 15.973 -8.936 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.483 18.264 -9.349 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.047 17.467 -10.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.056 18.773 -11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.405 17.126 -11.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.827 17.898 -9.866 1.00 0.00 H new ATOM 299 N PHE A 22 -1.696 12.218 -8.191 1.00 0.00 N ATOM 300 CA PHE A 22 -0.780 11.137 -8.537 1.00 0.00 C ATOM 301 C PHE A 22 -0.162 11.367 -9.913 1.00 0.00 C ATOM 302 O PHE A 22 -0.864 11.664 -10.881 1.00 0.00 O ATOM 303 CB PHE A 22 -1.511 9.793 -8.513 1.00 0.00 C ATOM 304 CG PHE A 22 -1.503 9.130 -7.165 1.00 0.00 C ATOM 305 CD1 PHE A 22 -2.465 9.443 -6.218 1.00 0.00 C ATOM 306 CD2 PHE A 22 -0.533 8.194 -6.844 1.00 0.00 C ATOM 307 CE1 PHE A 22 -2.458 8.836 -4.977 1.00 0.00 C ATOM 308 CE2 PHE A 22 -0.522 7.583 -5.605 1.00 0.00 C ATOM 309 CZ PHE A 22 -1.486 7.904 -4.670 1.00 0.00 C ATOM 0 H PHE A 22 -2.619 12.142 -8.619 1.00 0.00 H new ATOM 0 HA PHE A 22 0.020 11.122 -7.796 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.543 9.944 -8.828 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.050 9.125 -9.240 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.229 10.170 -6.453 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.224 7.939 -7.571 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.212 9.090 -4.247 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.240 6.855 -5.368 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.480 7.427 -3.701 1.00 0.00 H new ATOM 319 N THR A 23 1.158 11.228 -9.993 1.00 0.00 N ATOM 320 CA THR A 23 1.872 11.422 -11.249 1.00 0.00 C ATOM 321 C THR A 23 2.144 10.090 -11.939 1.00 0.00 C ATOM 322 O THR A 23 2.190 10.015 -13.166 1.00 0.00 O ATOM 323 CB THR A 23 3.209 12.155 -11.027 1.00 0.00 C ATOM 324 OG1 THR A 23 4.100 11.330 -10.269 1.00 0.00 O ATOM 325 CG2 THR A 23 2.989 13.474 -10.302 1.00 0.00 C ATOM 0 H THR A 23 1.754 10.982 -9.203 1.00 0.00 H new ATOM 0 HA THR A 23 1.232 12.033 -11.885 1.00 0.00 H new ATOM 0 HB THR A 23 3.650 12.364 -12.002 1.00 0.00 H new ATOM 0 HG1 THR A 23 3.581 10.720 -9.705 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.947 13.973 -10.157 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.334 14.111 -10.896 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.528 13.284 -9.333 1.00 0.00 H new ATOM 333 N GLU A 24 2.322 9.042 -11.141 1.00 0.00 N ATOM 334 CA GLU A 24 2.589 7.712 -11.677 1.00 0.00 C ATOM 335 C GLU A 24 1.824 6.647 -10.896 1.00 0.00 C ATOM 336 O GLU A 24 2.384 5.974 -10.032 1.00 0.00 O ATOM 337 CB GLU A 24 4.089 7.413 -11.634 1.00 0.00 C ATOM 338 CG GLU A 24 4.875 8.082 -12.749 1.00 0.00 C ATOM 339 CD GLU A 24 6.162 7.350 -13.076 1.00 0.00 C ATOM 340 OE1 GLU A 24 7.014 7.213 -12.174 1.00 0.00 O ATOM 341 OE2 GLU A 24 6.317 6.914 -14.236 1.00 0.00 O ATOM 0 H GLU A 24 2.286 9.088 -10.123 1.00 0.00 H new ATOM 0 HA GLU A 24 2.251 7.691 -12.713 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.488 7.738 -10.673 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.238 6.335 -11.692 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.255 8.136 -13.644 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.108 9.107 -12.460 1.00 0.00 H new ATOM 348 N GLY A 25 0.540 6.501 -11.208 1.00 0.00 N ATOM 349 CA GLY A 25 -0.281 5.518 -10.526 1.00 0.00 C ATOM 350 C GLY A 25 0.300 4.120 -10.608 1.00 0.00 C ATOM 351 O GLY A 25 1.082 3.817 -11.510 1.00 0.00 O ATOM 0 H GLY A 25 0.054 7.046 -11.920 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.389 5.802 -9.479 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.280 5.519 -10.961 1.00 0.00 H new ATOM 355 N LEU A 26 -0.081 3.266 -9.665 1.00 0.00 N ATOM 356 CA LEU A 26 0.408 1.892 -9.633 1.00 0.00 C ATOM 357 C LEU A 26 0.188 1.204 -10.976 1.00 0.00 C ATOM 358 O LEU A 26 -0.716 1.567 -11.729 1.00 0.00 O ATOM 359 CB LEU A 26 -0.292 1.106 -8.523 1.00 0.00 C ATOM 360 CG LEU A 26 -0.011 1.570 -7.093 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.105 1.089 -6.152 1.00 0.00 C ATOM 362 CD2 LEU A 26 1.351 1.074 -6.629 1.00 0.00 C ATOM 0 H LEU A 26 -0.727 3.501 -8.912 1.00 0.00 H new ATOM 0 HA LEU A 26 1.479 1.918 -9.431 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.367 1.153 -8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.001 0.059 -8.608 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.002 2.660 -7.080 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.889 1.428 -5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.065 1.494 -6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.146 -0.000 -6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.534 1.414 -5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.371 -0.015 -6.658 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.125 1.468 -7.287 1.00 0.00 H new ATOM 374 N ARG A 27 1.017 0.208 -11.268 1.00 0.00 N ATOM 375 CA ARG A 27 0.912 -0.532 -12.520 1.00 0.00 C ATOM 376 C ARG A 27 0.828 -2.033 -12.259 1.00 0.00 C ATOM 377 O ARG A 27 1.393 -2.537 -11.288 1.00 0.00 O ATOM 378 CB ARG A 27 2.110 -0.226 -13.420 1.00 0.00 C ATOM 379 CG ARG A 27 2.169 1.220 -13.886 1.00 0.00 C ATOM 380 CD ARG A 27 3.495 1.535 -14.560 1.00 0.00 C ATOM 381 NE ARG A 27 3.310 2.192 -15.850 1.00 0.00 N ATOM 382 CZ ARG A 27 4.244 2.233 -16.795 1.00 0.00 C ATOM 383 NH1 ARG A 27 5.421 1.658 -16.593 1.00 0.00 N ATOM 384 NH2 ARG A 27 4.000 2.851 -17.943 1.00 0.00 N ATOM 0 H ARG A 27 1.769 -0.106 -10.655 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.002 -0.217 -13.024 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.028 -0.463 -12.882 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.074 -0.879 -14.292 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.352 1.413 -14.581 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.026 1.884 -13.034 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.090 2.176 -13.909 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.058 0.613 -14.700 1.00 0.00 H new ATOM 0 HE ARG A 27 2.415 2.644 -16.037 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.612 1.183 -15.711 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.136 1.691 -17.320 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.095 3.295 -18.101 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.717 2.882 -18.668 1.00 0.00 H new ATOM 398 N ASN A 28 0.119 -2.742 -13.131 1.00 0.00 N ATOM 399 CA ASN A 28 -0.039 -4.185 -12.994 1.00 0.00 C ATOM 400 C ASN A 28 1.318 -4.881 -12.966 1.00 0.00 C ATOM 401 O ASN A 28 1.963 -5.047 -14.001 1.00 0.00 O ATOM 402 CB ASN A 28 -0.884 -4.738 -14.144 1.00 0.00 C ATOM 403 CG ASN A 28 -0.470 -4.173 -15.489 1.00 0.00 C ATOM 404 OD1 ASN A 28 -0.718 -3.005 -15.787 1.00 0.00 O ATOM 405 ND2 ASN A 28 0.163 -5.003 -16.309 1.00 0.00 N ATOM 0 H ASN A 28 -0.355 -2.341 -13.940 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.548 -4.381 -12.050 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.796 -5.824 -14.166 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.934 -4.507 -13.964 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.465 -4.680 -17.228 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.347 -5.964 -16.020 1.00 0.00 H new ATOM 412 N GLU A 29 1.745 -5.286 -11.774 1.00 0.00 N ATOM 413 CA GLU A 29 3.026 -5.964 -11.612 1.00 0.00 C ATOM 414 C GLU A 29 2.828 -7.465 -11.429 1.00 0.00 C ATOM 415 O GLU A 29 2.048 -7.900 -10.582 1.00 0.00 O ATOM 416 CB GLU A 29 3.785 -5.388 -10.414 1.00 0.00 C ATOM 417 CG GLU A 29 5.177 -5.972 -10.238 1.00 0.00 C ATOM 418 CD GLU A 29 5.980 -5.251 -9.173 1.00 0.00 C ATOM 419 OE1 GLU A 29 5.408 -4.941 -8.107 1.00 0.00 O ATOM 420 OE2 GLU A 29 7.181 -4.997 -9.405 1.00 0.00 O ATOM 0 H GLU A 29 1.223 -5.157 -10.907 1.00 0.00 H new ATOM 0 HA GLU A 29 3.612 -5.801 -12.517 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.866 -4.307 -10.531 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.207 -5.568 -9.508 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.094 -7.026 -9.974 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.711 -5.922 -11.187 1.00 0.00 H new ATOM 427 N GLU A 30 3.539 -8.253 -12.230 1.00 0.00 N ATOM 428 CA GLU A 30 3.440 -9.705 -12.157 1.00 0.00 C ATOM 429 C GLU A 30 4.709 -10.308 -11.561 1.00 0.00 C ATOM 430 O GLU A 30 5.821 -9.929 -11.928 1.00 0.00 O ATOM 431 CB GLU A 30 3.188 -10.292 -13.547 1.00 0.00 C ATOM 432 CG GLU A 30 2.961 -11.795 -13.542 1.00 0.00 C ATOM 433 CD GLU A 30 3.282 -12.437 -14.878 1.00 0.00 C ATOM 434 OE1 GLU A 30 2.552 -12.171 -15.855 1.00 0.00 O ATOM 435 OE2 GLU A 30 4.263 -13.207 -14.945 1.00 0.00 O ATOM 0 H GLU A 30 4.190 -7.910 -12.937 1.00 0.00 H new ATOM 0 HA GLU A 30 2.601 -9.954 -11.508 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.318 -9.803 -13.986 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.039 -10.064 -14.188 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.578 -12.249 -12.767 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.922 -12.001 -13.284 1.00 0.00 H new ATOM 442 N ALA A 31 4.534 -11.249 -10.639 1.00 0.00 N ATOM 443 CA ALA A 31 5.663 -11.906 -9.993 1.00 0.00 C ATOM 444 C ALA A 31 5.530 -13.423 -10.064 1.00 0.00 C ATOM 445 O ALA A 31 4.495 -13.948 -10.475 1.00 0.00 O ATOM 446 CB ALA A 31 5.781 -11.452 -8.546 1.00 0.00 C ATOM 0 H ALA A 31 3.620 -11.573 -10.323 1.00 0.00 H new ATOM 0 HA ALA A 31 6.570 -11.622 -10.527 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.629 -11.951 -8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.932 -10.373 -8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.867 -11.706 -8.009 1.00 0.00 H new ATOM 452 N THR A 32 6.586 -14.125 -9.663 1.00 0.00 N ATOM 453 CA THR A 32 6.588 -15.582 -9.683 1.00 0.00 C ATOM 454 C THR A 32 6.528 -16.151 -8.270 1.00 0.00 C ATOM 455 O THR A 32 7.026 -15.541 -7.324 1.00 0.00 O ATOM 456 CB THR A 32 7.838 -16.133 -10.394 1.00 0.00 C ATOM 457 OG1 THR A 32 8.002 -15.492 -11.664 1.00 0.00 O ATOM 458 CG2 THR A 32 7.732 -17.637 -10.589 1.00 0.00 C ATOM 0 H THR A 32 7.451 -13.707 -9.320 1.00 0.00 H new ATOM 0 HA THR A 32 5.700 -15.892 -10.234 1.00 0.00 H new ATOM 0 HB THR A 32 8.706 -15.925 -9.768 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.800 -15.847 -12.109 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.627 -18.002 -11.093 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.638 -18.124 -9.618 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.855 -17.864 -11.196 1.00 0.00 H new ATOM 466 N GLU A 33 5.917 -17.324 -8.135 1.00 0.00 N ATOM 467 CA GLU A 33 5.794 -17.975 -6.836 1.00 0.00 C ATOM 468 C GLU A 33 7.165 -18.189 -6.201 1.00 0.00 C ATOM 469 O GLU A 33 8.145 -18.462 -6.893 1.00 0.00 O ATOM 470 CB GLU A 33 5.072 -19.317 -6.979 1.00 0.00 C ATOM 471 CG GLU A 33 3.812 -19.423 -6.137 1.00 0.00 C ATOM 472 CD GLU A 33 3.347 -20.856 -5.961 1.00 0.00 C ATOM 473 OE1 GLU A 33 4.211 -21.754 -5.884 1.00 0.00 O ATOM 474 OE2 GLU A 33 2.120 -21.079 -5.899 1.00 0.00 O ATOM 0 H GLU A 33 5.500 -17.842 -8.908 1.00 0.00 H new ATOM 0 HA GLU A 33 5.210 -17.323 -6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.813 -19.471 -8.027 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.755 -20.119 -6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.996 -18.982 -5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.017 -18.842 -6.604 1.00 0.00 H new ATOM 481 N GLY A 34 7.225 -18.061 -4.879 1.00 0.00 N ATOM 482 CA GLY A 34 8.480 -18.242 -4.173 1.00 0.00 C ATOM 483 C GLY A 34 9.486 -17.153 -4.490 1.00 0.00 C ATOM 484 O GLY A 34 10.689 -17.338 -4.307 1.00 0.00 O ATOM 0 H GLY A 34 6.427 -17.835 -4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.291 -18.256 -3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.904 -19.211 -4.435 1.00 0.00 H new ATOM 488 N ALA A 35 8.993 -16.015 -4.968 1.00 0.00 N ATOM 489 CA ALA A 35 9.858 -14.893 -5.310 1.00 0.00 C ATOM 490 C ALA A 35 9.546 -13.676 -4.446 1.00 0.00 C ATOM 491 O ALA A 35 8.777 -13.762 -3.488 1.00 0.00 O ATOM 492 CB ALA A 35 9.713 -14.546 -6.785 1.00 0.00 C ATOM 0 H ALA A 35 8.000 -15.846 -5.127 1.00 0.00 H new ATOM 0 HA ALA A 35 10.889 -15.189 -5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.365 -13.706 -7.027 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.992 -15.408 -7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.678 -14.275 -6.995 1.00 0.00 H new ATOM 498 N THR A 36 10.148 -12.542 -4.789 1.00 0.00 N ATOM 499 CA THR A 36 9.937 -11.308 -4.044 1.00 0.00 C ATOM 500 C THR A 36 9.296 -10.238 -4.921 1.00 0.00 C ATOM 501 O THR A 36 9.885 -9.795 -5.906 1.00 0.00 O ATOM 502 CB THR A 36 11.259 -10.762 -3.473 1.00 0.00 C ATOM 503 OG1 THR A 36 11.952 -11.798 -2.767 1.00 0.00 O ATOM 504 CG2 THR A 36 11.002 -9.589 -2.539 1.00 0.00 C ATOM 0 H THR A 36 10.787 -12.453 -5.579 1.00 0.00 H new ATOM 0 HA THR A 36 9.266 -11.549 -3.220 1.00 0.00 H new ATOM 0 HB THR A 36 11.873 -10.416 -4.304 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.792 -11.444 -2.408 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.950 -9.220 -2.148 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.500 -8.791 -3.087 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.371 -9.914 -1.712 1.00 0.00 H new ATOM 512 N ALA A 37 8.085 -9.828 -4.556 1.00 0.00 N ATOM 513 CA ALA A 37 7.366 -8.808 -5.309 1.00 0.00 C ATOM 514 C ALA A 37 7.395 -7.467 -4.583 1.00 0.00 C ATOM 515 O ALA A 37 7.280 -7.410 -3.359 1.00 0.00 O ATOM 516 CB ALA A 37 5.929 -9.247 -5.553 1.00 0.00 C ATOM 0 H ALA A 37 7.582 -10.186 -3.744 1.00 0.00 H new ATOM 0 HA ALA A 37 7.864 -8.682 -6.270 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.404 -8.476 -6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.924 -10.178 -6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.429 -9.402 -4.597 1.00 0.00 H new ATOM 522 N VAL A 38 7.549 -6.390 -5.346 1.00 0.00 N ATOM 523 CA VAL A 38 7.593 -5.049 -4.776 1.00 0.00 C ATOM 524 C VAL A 38 7.051 -4.016 -5.757 1.00 0.00 C ATOM 525 O VAL A 38 7.520 -3.915 -6.892 1.00 0.00 O ATOM 526 CB VAL A 38 9.027 -4.656 -4.374 1.00 0.00 C ATOM 527 CG1 VAL A 38 9.964 -4.761 -5.568 1.00 0.00 C ATOM 528 CG2 VAL A 38 9.051 -3.252 -3.790 1.00 0.00 C ATOM 0 H VAL A 38 7.645 -6.420 -6.361 1.00 0.00 H new ATOM 0 HA VAL A 38 6.965 -5.064 -3.885 1.00 0.00 H new ATOM 0 HB VAL A 38 9.374 -5.350 -3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.972 -4.480 -5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.969 -5.786 -5.937 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.623 -4.092 -6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.072 -2.991 -3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.685 -2.543 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.413 -3.214 -2.907 1.00 0.00 H new ATOM 538 N LEU A 39 6.060 -3.250 -5.314 1.00 0.00 N ATOM 539 CA LEU A 39 5.453 -2.223 -6.154 1.00 0.00 C ATOM 540 C LEU A 39 6.027 -0.847 -5.831 1.00 0.00 C ATOM 541 O LEU A 39 6.576 -0.630 -4.751 1.00 0.00 O ATOM 542 CB LEU A 39 3.935 -2.212 -5.963 1.00 0.00 C ATOM 543 CG LEU A 39 3.221 -3.545 -6.188 1.00 0.00 C ATOM 544 CD1 LEU A 39 2.208 -3.801 -5.084 1.00 0.00 C ATOM 545 CD2 LEU A 39 2.544 -3.564 -7.551 1.00 0.00 C ATOM 0 H LEU A 39 5.660 -3.320 -4.378 1.00 0.00 H new ATOM 0 HA LEU A 39 5.681 -2.457 -7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.719 -1.873 -4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.509 -1.475 -6.643 1.00 0.00 H new ATOM 0 HG LEU A 39 3.964 -4.342 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.710 -4.754 -5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.719 -3.832 -4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.468 -3.001 -5.077 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.041 -4.520 -7.694 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.813 -2.757 -7.605 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.293 -3.428 -8.331 1.00 0.00 H new ATOM 557 N ARG A 40 5.895 0.080 -6.775 1.00 0.00 N ATOM 558 CA ARG A 40 6.400 1.435 -6.591 1.00 0.00 C ATOM 559 C ARG A 40 5.512 2.448 -7.308 1.00 0.00 C ATOM 560 O ARG A 40 4.964 2.163 -8.373 1.00 0.00 O ATOM 561 CB ARG A 40 7.835 1.542 -7.110 1.00 0.00 C ATOM 562 CG ARG A 40 8.824 0.672 -6.351 1.00 0.00 C ATOM 563 CD ARG A 40 10.237 0.836 -6.888 1.00 0.00 C ATOM 564 NE ARG A 40 11.129 1.446 -5.905 1.00 0.00 N ATOM 565 CZ ARG A 40 12.443 1.547 -6.068 1.00 0.00 C ATOM 566 NH1 ARG A 40 13.015 1.081 -7.170 1.00 0.00 N ATOM 567 NH2 ARG A 40 13.188 2.115 -5.129 1.00 0.00 N ATOM 0 H ARG A 40 5.443 -0.083 -7.675 1.00 0.00 H new ATOM 0 HA ARG A 40 6.389 1.658 -5.524 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.853 1.263 -8.164 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.158 2.581 -7.050 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.803 0.934 -5.293 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.524 -0.373 -6.427 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.630 -0.138 -7.178 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.214 1.451 -7.787 1.00 0.00 H new ATOM 0 HE ARG A 40 10.720 1.815 -5.046 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.445 0.644 -7.895 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.024 1.160 -7.293 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.752 2.475 -4.280 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.197 2.192 -5.256 1.00 0.00 H new ATOM 581 N CYS A 41 5.374 3.629 -6.716 1.00 0.00 N ATOM 582 CA CYS A 41 4.551 4.684 -7.297 1.00 0.00 C ATOM 583 C CYS A 41 5.074 6.061 -6.902 1.00 0.00 C ATOM 584 O CYS A 41 5.595 6.245 -5.802 1.00 0.00 O ATOM 585 CB CYS A 41 3.097 4.530 -6.849 1.00 0.00 C ATOM 586 SG CYS A 41 2.889 4.355 -5.062 1.00 0.00 S ATOM 0 H CYS A 41 5.821 3.880 -5.834 1.00 0.00 H new ATOM 0 HA CYS A 41 4.601 4.594 -8.382 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.530 5.398 -7.186 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.667 3.658 -7.341 1.00 0.00 H new ATOM 0 HG CYS A 41 1.625 4.233 -4.782 1.00 0.00 H new ATOM 592 N GLU A 42 4.933 7.024 -7.807 1.00 0.00 N ATOM 593 CA GLU A 42 5.394 8.384 -7.553 1.00 0.00 C ATOM 594 C GLU A 42 4.214 9.337 -7.386 1.00 0.00 C ATOM 595 O GLU A 42 3.236 9.269 -8.133 1.00 0.00 O ATOM 596 CB GLU A 42 6.293 8.863 -8.695 1.00 0.00 C ATOM 597 CG GLU A 42 7.731 9.114 -8.274 1.00 0.00 C ATOM 598 CD GLU A 42 8.733 8.425 -9.180 1.00 0.00 C ATOM 599 OE1 GLU A 42 8.841 7.183 -9.110 1.00 0.00 O ATOM 600 OE2 GLU A 42 9.408 9.128 -9.960 1.00 0.00 O ATOM 0 H GLU A 42 4.504 6.888 -8.722 1.00 0.00 H new ATOM 0 HA GLU A 42 5.968 8.378 -6.626 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.281 8.119 -9.492 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.879 9.782 -9.111 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.924 10.187 -8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.872 8.765 -7.251 1.00 0.00 H new ATOM 607 N LEU A 43 4.311 10.223 -6.402 1.00 0.00 N ATOM 608 CA LEU A 43 3.252 11.190 -6.135 1.00 0.00 C ATOM 609 C LEU A 43 3.656 12.584 -6.604 1.00 0.00 C ATOM 610 O LEU A 43 4.782 12.796 -7.053 1.00 0.00 O ATOM 611 CB LEU A 43 2.923 11.217 -4.642 1.00 0.00 C ATOM 612 CG LEU A 43 2.020 10.092 -4.132 1.00 0.00 C ATOM 613 CD1 LEU A 43 2.340 9.767 -2.682 1.00 0.00 C ATOM 614 CD2 LEU A 43 0.555 10.474 -4.285 1.00 0.00 C ATOM 0 H LEU A 43 5.113 10.292 -5.775 1.00 0.00 H new ATOM 0 HA LEU A 43 2.366 10.883 -6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.859 11.186 -4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.447 12.170 -4.413 1.00 0.00 H new ATOM 0 HG LEU A 43 2.207 9.201 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.688 8.965 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.380 9.450 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.182 10.653 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.073 9.662 -3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.353 11.378 -3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.334 10.656 -5.337 1.00 0.00 H new ATOM 626 N SER A 44 2.730 13.531 -6.494 1.00 0.00 N ATOM 627 CA SER A 44 2.990 14.905 -6.908 1.00 0.00 C ATOM 628 C SER A 44 3.745 15.666 -5.823 1.00 0.00 C ATOM 629 O SER A 44 4.471 16.619 -6.107 1.00 0.00 O ATOM 630 CB SER A 44 1.676 15.621 -7.228 1.00 0.00 C ATOM 631 OG SER A 44 1.853 17.027 -7.252 1.00 0.00 O ATOM 0 H SER A 44 1.794 13.372 -6.122 1.00 0.00 H new ATOM 0 HA SER A 44 3.608 14.877 -7.805 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.300 15.282 -8.193 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.925 15.359 -6.483 1.00 0.00 H new ATOM 0 HG SER A 44 0.999 17.461 -7.460 1.00 0.00 H new ATOM 637 N LYS A 45 3.568 15.239 -4.577 1.00 0.00 N ATOM 638 CA LYS A 45 4.232 15.877 -3.447 1.00 0.00 C ATOM 639 C LYS A 45 4.316 14.926 -2.257 1.00 0.00 C ATOM 640 O LYS A 45 3.430 14.097 -2.050 1.00 0.00 O ATOM 641 CB LYS A 45 3.487 17.151 -3.044 1.00 0.00 C ATOM 642 CG LYS A 45 4.060 17.826 -1.810 1.00 0.00 C ATOM 643 CD LYS A 45 3.954 19.339 -1.903 1.00 0.00 C ATOM 644 CE LYS A 45 2.526 19.813 -1.680 1.00 0.00 C ATOM 645 NZ LYS A 45 1.871 20.220 -2.954 1.00 0.00 N ATOM 0 H LYS A 45 2.969 14.453 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 45 5.245 16.138 -3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.510 17.854 -3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.440 16.908 -2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.530 17.477 -0.924 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.105 17.540 -1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.610 19.797 -1.163 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.299 19.669 -2.883 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.948 19.016 -1.213 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.527 20.654 -0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.900 20.536 -2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.408 20.998 -3.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.847 19.410 -3.606 1.00 0.00 H new ATOM 659 N MET A 46 5.385 15.053 -1.478 1.00 0.00 N ATOM 660 CA MET A 46 5.581 14.206 -0.307 1.00 0.00 C ATOM 661 C MET A 46 4.362 14.252 0.608 1.00 0.00 C ATOM 662 O MET A 46 3.890 15.327 0.975 1.00 0.00 O ATOM 663 CB MET A 46 6.828 14.646 0.463 1.00 0.00 C ATOM 664 CG MET A 46 7.201 13.709 1.601 1.00 0.00 C ATOM 665 SD MET A 46 8.337 14.465 2.779 1.00 0.00 S ATOM 666 CE MET A 46 7.277 15.700 3.527 1.00 0.00 C ATOM 0 H MET A 46 6.128 15.733 -1.636 1.00 0.00 H new ATOM 0 HA MET A 46 5.717 13.180 -0.650 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.667 14.716 -0.229 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.663 15.646 0.865 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.296 13.399 2.123 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.656 12.808 1.190 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.654 15.951 4.519 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.267 16.596 2.906 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.264 15.307 3.613 1.00 0.00 H new ATOM 676 N ALA A 47 3.856 13.078 0.971 1.00 0.00 N ATOM 677 CA ALA A 47 2.692 12.985 1.844 1.00 0.00 C ATOM 678 C ALA A 47 2.448 11.545 2.281 1.00 0.00 C ATOM 679 O ALA A 47 2.923 10.593 1.661 1.00 0.00 O ATOM 680 CB ALA A 47 1.461 13.543 1.145 1.00 0.00 C ATOM 0 H ALA A 47 4.234 12.178 0.674 1.00 0.00 H new ATOM 0 HA ALA A 47 2.889 13.579 2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.600 13.467 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.631 14.589 0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.269 12.973 0.236 1.00 0.00 H new ATOM 686 N PRO A 48 1.689 11.378 3.375 1.00 0.00 N ATOM 687 CA PRO A 48 1.365 10.056 3.919 1.00 0.00 C ATOM 688 C PRO A 48 0.411 9.277 3.020 1.00 0.00 C ATOM 689 O PRO A 48 -0.406 9.862 2.309 1.00 0.00 O ATOM 690 CB PRO A 48 0.695 10.378 5.257 1.00 0.00 C ATOM 691 CG PRO A 48 0.140 11.749 5.083 1.00 0.00 C ATOM 692 CD PRO A 48 1.090 12.467 4.164 1.00 0.00 C ATOM 0 HA PRO A 48 2.249 9.425 4.010 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.091 9.659 5.489 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.412 10.342 6.077 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.863 11.713 4.657 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.061 12.263 6.041 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.570 13.184 3.529 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.845 13.022 4.720 1.00 0.00 H new ATOM 700 N VAL A 49 0.521 7.952 3.055 1.00 0.00 N ATOM 701 CA VAL A 49 -0.333 7.093 2.244 1.00 0.00 C ATOM 702 C VAL A 49 -0.802 5.878 3.038 1.00 0.00 C ATOM 703 O VAL A 49 -0.275 5.585 4.110 1.00 0.00 O ATOM 704 CB VAL A 49 0.396 6.614 0.975 1.00 0.00 C ATOM 705 CG1 VAL A 49 0.737 7.793 0.077 1.00 0.00 C ATOM 706 CG2 VAL A 49 1.649 5.834 1.344 1.00 0.00 C ATOM 0 H VAL A 49 1.193 7.451 3.636 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.198 7.689 1.953 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.269 5.950 0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.252 7.434 -0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.180 8.305 -0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.384 8.485 0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.152 5.503 0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.320 6.473 1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.374 4.966 1.943 1.00 0.00 H new ATOM 716 N GLU A 50 -1.794 5.175 2.501 1.00 0.00 N ATOM 717 CA GLU A 50 -2.334 3.991 3.160 1.00 0.00 C ATOM 718 C GLU A 50 -2.589 2.876 2.151 1.00 0.00 C ATOM 719 O GLU A 50 -3.353 3.046 1.201 1.00 0.00 O ATOM 720 CB GLU A 50 -3.631 4.336 3.895 1.00 0.00 C ATOM 721 CG GLU A 50 -3.455 5.381 4.984 1.00 0.00 C ATOM 722 CD GLU A 50 -3.504 6.798 4.446 1.00 0.00 C ATOM 723 OE1 GLU A 50 -4.158 7.016 3.405 1.00 0.00 O ATOM 724 OE2 GLU A 50 -2.886 7.688 5.066 1.00 0.00 O ATOM 0 H GLU A 50 -2.240 5.404 1.613 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.597 3.641 3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.363 4.696 3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.040 3.428 4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.236 5.254 5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.501 5.220 5.486 1.00 0.00 H new ATOM 731 N TRP A 51 -1.943 1.735 2.364 1.00 0.00 N ATOM 732 CA TRP A 51 -2.099 0.591 1.473 1.00 0.00 C ATOM 733 C TRP A 51 -3.294 -0.262 1.886 1.00 0.00 C ATOM 734 O TRP A 51 -3.355 -0.758 3.011 1.00 0.00 O ATOM 735 CB TRP A 51 -0.827 -0.259 1.472 1.00 0.00 C ATOM 736 CG TRP A 51 0.371 0.467 0.938 1.00 0.00 C ATOM 737 CD1 TRP A 51 1.147 1.371 1.606 1.00 0.00 C ATOM 738 CD2 TRP A 51 0.928 0.351 -0.376 1.00 0.00 C ATOM 739 NE1 TRP A 51 2.153 1.823 0.787 1.00 0.00 N ATOM 740 CE2 TRP A 51 2.041 1.212 -0.434 1.00 0.00 C ATOM 741 CE3 TRP A 51 0.596 -0.399 -1.507 1.00 0.00 C ATOM 742 CZ2 TRP A 51 2.820 1.344 -1.580 1.00 0.00 C ATOM 743 CZ3 TRP A 51 1.371 -0.266 -2.644 1.00 0.00 C ATOM 744 CH2 TRP A 51 2.473 0.599 -2.674 1.00 0.00 C ATOM 0 H TRP A 51 -1.307 1.578 3.145 1.00 0.00 H new ATOM 0 HA TRP A 51 -2.276 0.969 0.466 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.619 -0.590 2.489 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -0.997 -1.154 0.874 1.00 0.00 H new ATOM 0 HD1 TRP A 51 0.992 1.684 2.628 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.868 2.503 1.046 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.250 -1.070 -1.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.669 2.011 -1.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.123 -0.839 -3.525 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.059 0.679 -3.577 1.00 0.00 H new ATOM 755 N TRP A 52 -4.241 -0.428 0.969 1.00 0.00 N ATOM 756 CA TRP A 52 -5.434 -1.222 1.239 1.00 0.00 C ATOM 757 C TRP A 52 -5.482 -2.456 0.345 1.00 0.00 C ATOM 758 O TRP A 52 -4.842 -2.498 -0.706 1.00 0.00 O ATOM 759 CB TRP A 52 -6.692 -0.377 1.031 1.00 0.00 C ATOM 760 CG TRP A 52 -6.897 0.657 2.097 1.00 0.00 C ATOM 761 CD1 TRP A 52 -6.260 1.860 2.204 1.00 0.00 C ATOM 762 CD2 TRP A 52 -7.798 0.577 3.206 1.00 0.00 C ATOM 763 NE1 TRP A 52 -6.711 2.533 3.314 1.00 0.00 N ATOM 764 CE2 TRP A 52 -7.656 1.768 3.945 1.00 0.00 C ATOM 765 CE3 TRP A 52 -8.713 -0.383 3.646 1.00 0.00 C ATOM 766 CZ2 TRP A 52 -8.394 2.021 5.098 1.00 0.00 C ATOM 767 CZ3 TRP A 52 -9.445 -0.131 4.790 1.00 0.00 C ATOM 768 CH2 TRP A 52 -9.282 1.063 5.506 1.00 0.00 C ATOM 0 H TRP A 52 -4.206 -0.024 0.033 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.393 -1.551 2.277 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -6.632 0.118 0.062 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.561 -1.034 1.000 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.512 2.228 1.518 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.393 3.453 3.619 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.846 -1.306 3.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -8.270 2.941 5.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.155 -0.866 5.139 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.869 1.230 6.397 1.00 0.00 H new ATOM 779 N LYS A 53 -6.244 -3.459 0.767 1.00 0.00 N ATOM 780 CA LYS A 53 -6.376 -4.694 0.003 1.00 0.00 C ATOM 781 C LYS A 53 -7.834 -5.137 -0.066 1.00 0.00 C ATOM 782 O LYS A 53 -8.333 -5.805 0.839 1.00 0.00 O ATOM 783 CB LYS A 53 -5.525 -5.800 0.631 1.00 0.00 C ATOM 784 CG LYS A 53 -5.269 -6.973 -0.299 1.00 0.00 C ATOM 785 CD LYS A 53 -4.516 -8.089 0.405 1.00 0.00 C ATOM 786 CE LYS A 53 -3.632 -8.862 -0.563 1.00 0.00 C ATOM 787 NZ LYS A 53 -4.074 -10.277 -0.708 1.00 0.00 N ATOM 0 H LYS A 53 -6.780 -3.441 1.635 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.023 -4.504 -1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.569 -5.379 0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.022 -6.162 1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.218 -7.354 -0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.697 -6.635 -1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.903 -7.669 1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.227 -8.770 0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.648 -8.375 -1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.601 -8.838 -0.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.915 -10.592 -1.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.530 -10.879 -0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.086 -10.349 -0.481 1.00 0.00 H new ATOM 801 N GLY A 54 -8.511 -4.762 -1.147 1.00 0.00 N ATOM 802 CA GLY A 54 -9.905 -5.132 -1.314 1.00 0.00 C ATOM 803 C GLY A 54 -10.828 -4.333 -0.415 1.00 0.00 C ATOM 804 O GLY A 54 -11.506 -3.411 -0.871 1.00 0.00 O ATOM 0 H GLY A 54 -8.120 -4.209 -1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.196 -4.982 -2.354 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.024 -6.194 -1.100 1.00 0.00 H new ATOM 808 N HIS A 55 -10.858 -4.688 0.866 1.00 0.00 N ATOM 809 CA HIS A 55 -11.706 -3.998 1.831 1.00 0.00 C ATOM 810 C HIS A 55 -11.086 -4.035 3.224 1.00 0.00 C ATOM 811 O HIS A 55 -11.795 -4.045 4.229 1.00 0.00 O ATOM 812 CB HIS A 55 -13.098 -4.631 1.863 1.00 0.00 C ATOM 813 CG HIS A 55 -14.189 -3.661 2.197 1.00 0.00 C ATOM 814 ND1 HIS A 55 -14.165 -2.858 3.318 1.00 0.00 N ATOM 815 CD2 HIS A 55 -15.341 -3.367 1.550 1.00 0.00 C ATOM 816 CE1 HIS A 55 -15.255 -2.113 3.347 1.00 0.00 C ATOM 817 NE2 HIS A 55 -15.986 -2.402 2.285 1.00 0.00 N ATOM 0 H HIS A 55 -10.305 -5.449 1.259 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.795 -2.957 1.520 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -13.307 -5.080 0.892 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.104 -5.439 2.595 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -13.421 -2.842 4.016 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -15.688 -3.809 0.628 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -15.506 -1.390 4.109 1.00 0.00 H new ATOM 825 N GLU A 56 -9.757 -4.055 3.275 1.00 0.00 N ATOM 826 CA GLU A 56 -9.042 -4.092 4.545 1.00 0.00 C ATOM 827 C GLU A 56 -7.722 -3.334 4.449 1.00 0.00 C ATOM 828 O GLU A 56 -7.218 -3.077 3.355 1.00 0.00 O ATOM 829 CB GLU A 56 -8.782 -5.540 4.967 1.00 0.00 C ATOM 830 CG GLU A 56 -8.460 -5.695 6.444 1.00 0.00 C ATOM 831 CD GLU A 56 -8.756 -7.089 6.962 1.00 0.00 C ATOM 832 OE1 GLU A 56 -9.600 -7.781 6.354 1.00 0.00 O ATOM 833 OE2 GLU A 56 -8.144 -7.489 7.974 1.00 0.00 O ATOM 0 H GLU A 56 -9.155 -4.046 2.452 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.665 -3.608 5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.659 -6.142 4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.954 -5.938 4.380 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.407 -5.466 6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.037 -4.969 7.016 1.00 0.00 H new ATOM 840 N THR A 57 -7.165 -2.977 5.603 1.00 0.00 N ATOM 841 CA THR A 57 -5.905 -2.247 5.650 1.00 0.00 C ATOM 842 C THR A 57 -4.739 -3.182 5.951 1.00 0.00 C ATOM 843 O THR A 57 -4.882 -4.146 6.705 1.00 0.00 O ATOM 844 CB THR A 57 -5.941 -1.131 6.711 1.00 0.00 C ATOM 845 OG1 THR A 57 -7.280 -0.952 7.188 1.00 0.00 O ATOM 846 CG2 THR A 57 -5.422 0.178 6.138 1.00 0.00 C ATOM 0 H THR A 57 -7.568 -3.182 6.517 1.00 0.00 H new ATOM 0 HA THR A 57 -5.763 -1.798 4.667 1.00 0.00 H new ATOM 0 HB THR A 57 -5.297 -1.426 7.539 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.803 -0.464 6.518 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.457 0.951 6.906 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.393 0.046 5.803 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.043 0.477 5.294 1.00 0.00 H new ATOM 854 N LEU A 58 -3.586 -2.891 5.360 1.00 0.00 N ATOM 855 CA LEU A 58 -2.393 -3.706 5.566 1.00 0.00 C ATOM 856 C LEU A 58 -1.496 -3.096 6.638 1.00 0.00 C ATOM 857 O LEU A 58 -1.657 -1.934 7.009 1.00 0.00 O ATOM 858 CB LEU A 58 -1.617 -3.850 4.256 1.00 0.00 C ATOM 859 CG LEU A 58 -2.427 -4.310 3.043 1.00 0.00 C ATOM 860 CD1 LEU A 58 -1.677 -4.008 1.755 1.00 0.00 C ATOM 861 CD2 LEU A 58 -2.742 -5.795 3.143 1.00 0.00 C ATOM 0 H LEU A 58 -3.451 -2.097 4.734 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.711 -4.693 5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.161 -2.889 4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.804 -4.558 4.415 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.368 -3.760 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.268 -4.342 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.504 -2.935 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.720 -4.530 1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.319 -6.104 2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.812 -6.362 3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.321 -5.984 4.047 1.00 0.00 H new ATOM 873 N ARG A 59 -0.548 -3.888 7.129 1.00 0.00 N ATOM 874 CA ARG A 59 0.376 -3.426 8.158 1.00 0.00 C ATOM 875 C ARG A 59 1.822 -3.701 7.753 1.00 0.00 C ATOM 876 O ARG A 59 2.081 -4.461 6.820 1.00 0.00 O ATOM 877 CB ARG A 59 0.070 -4.108 9.492 1.00 0.00 C ATOM 878 CG ARG A 59 -0.933 -3.351 10.347 1.00 0.00 C ATOM 879 CD ARG A 59 -0.267 -2.724 11.563 1.00 0.00 C ATOM 880 NE ARG A 59 -1.117 -1.716 12.193 1.00 0.00 N ATOM 881 CZ ARG A 59 -0.736 -0.979 13.230 1.00 0.00 C ATOM 882 NH1 ARG A 59 0.473 -1.135 13.750 1.00 0.00 N ATOM 883 NH2 ARG A 59 -1.566 -0.082 13.748 1.00 0.00 N ATOM 0 H ARG A 59 -0.400 -4.852 6.831 1.00 0.00 H new ATOM 0 HA ARG A 59 0.247 -2.350 8.271 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.313 -5.110 9.299 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.998 -4.224 10.052 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.408 -2.573 9.749 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.721 -4.030 10.672 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.029 -3.502 12.288 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.677 -2.267 11.265 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.054 -1.571 11.816 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.114 -1.823 13.354 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.763 -0.567 14.546 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.497 0.041 13.350 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.273 0.484 14.544 1.00 0.00 H new ATOM 897 N ASP A 60 2.757 -3.078 8.461 1.00 0.00 N ATOM 898 CA ASP A 60 4.176 -3.256 8.176 1.00 0.00 C ATOM 899 C ASP A 60 4.834 -4.144 9.228 1.00 0.00 C ATOM 900 O ASP A 60 4.695 -3.909 10.428 1.00 0.00 O ATOM 901 CB ASP A 60 4.881 -1.900 8.122 1.00 0.00 C ATOM 902 CG ASP A 60 4.616 -1.060 9.355 1.00 0.00 C ATOM 903 OD1 ASP A 60 3.570 -0.380 9.396 1.00 0.00 O ATOM 904 OD2 ASP A 60 5.456 -1.081 10.280 1.00 0.00 O ATOM 0 H ASP A 60 2.558 -2.445 9.236 1.00 0.00 H new ATOM 0 HA ASP A 60 4.268 -3.744 7.205 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.955 -2.056 8.016 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.549 -1.356 7.237 1.00 0.00 H new ATOM 909 N GLY A 61 5.551 -5.165 8.769 1.00 0.00 N ATOM 910 CA GLY A 61 6.219 -6.073 9.684 1.00 0.00 C ATOM 911 C GLY A 61 7.399 -6.777 9.043 1.00 0.00 C ATOM 912 O GLY A 61 8.274 -6.135 8.464 1.00 0.00 O ATOM 0 H GLY A 61 5.681 -5.380 7.780 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.562 -5.517 10.557 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.505 -6.816 10.039 1.00 0.00 H new ATOM 916 N ASP A 62 7.423 -8.101 9.148 1.00 0.00 N ATOM 917 CA ASP A 62 8.505 -8.894 8.575 1.00 0.00 C ATOM 918 C ASP A 62 8.223 -9.220 7.112 1.00 0.00 C ATOM 919 O ASP A 62 8.863 -8.677 6.211 1.00 0.00 O ATOM 920 CB ASP A 62 8.695 -10.187 9.370 1.00 0.00 C ATOM 921 CG ASP A 62 9.027 -9.927 10.827 1.00 0.00 C ATOM 922 OD1 ASP A 62 8.125 -9.492 11.572 1.00 0.00 O ATOM 923 OD2 ASP A 62 10.190 -10.157 11.221 1.00 0.00 O ATOM 0 H ASP A 62 6.706 -8.648 9.624 1.00 0.00 H new ATOM 0 HA ASP A 62 9.421 -8.306 8.628 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.786 -10.785 9.309 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.494 -10.774 8.917 1.00 0.00 H new ATOM 928 N ARG A 63 7.263 -10.110 6.883 1.00 0.00 N ATOM 929 CA ARG A 63 6.898 -10.509 5.529 1.00 0.00 C ATOM 930 C ARG A 63 6.603 -9.288 4.663 1.00 0.00 C ATOM 931 O ARG A 63 6.978 -9.240 3.491 1.00 0.00 O ATOM 932 CB ARG A 63 5.680 -11.434 5.558 1.00 0.00 C ATOM 933 CG ARG A 63 5.990 -12.833 6.066 1.00 0.00 C ATOM 934 CD ARG A 63 4.723 -13.657 6.234 1.00 0.00 C ATOM 935 NE ARG A 63 3.918 -13.677 5.015 1.00 0.00 N ATOM 936 CZ ARG A 63 4.207 -14.424 3.955 1.00 0.00 C ATOM 937 NH1 ARG A 63 5.276 -15.208 3.964 1.00 0.00 N ATOM 938 NH2 ARG A 63 3.426 -14.387 2.884 1.00 0.00 N ATOM 0 H ARG A 63 6.724 -10.568 7.618 1.00 0.00 H new ATOM 0 HA ARG A 63 7.742 -11.045 5.095 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.911 -10.989 6.190 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.264 -11.505 4.553 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.662 -13.334 5.369 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.512 -12.767 7.021 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.988 -14.678 6.510 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.131 -13.249 7.053 1.00 0.00 H new ATOM 0 HE ARG A 63 3.088 -13.085 4.976 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.879 -15.239 4.786 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.495 -15.780 3.149 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.603 -13.785 2.874 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.648 -14.961 2.071 1.00 0.00 H new ATOM 952 N HIS A 64 5.928 -8.304 5.247 1.00 0.00 N ATOM 953 CA HIS A 64 5.582 -7.082 4.529 1.00 0.00 C ATOM 954 C HIS A 64 6.499 -5.933 4.938 1.00 0.00 C ATOM 955 O HIS A 64 6.536 -5.541 6.104 1.00 0.00 O ATOM 956 CB HIS A 64 4.124 -6.706 4.793 1.00 0.00 C ATOM 957 CG HIS A 64 3.140 -7.583 4.082 1.00 0.00 C ATOM 958 ND1 HIS A 64 2.738 -8.810 4.566 1.00 0.00 N ATOM 959 CD2 HIS A 64 2.476 -7.404 2.916 1.00 0.00 C ATOM 960 CE1 HIS A 64 1.871 -9.348 3.728 1.00 0.00 C ATOM 961 NE2 HIS A 64 1.693 -8.515 2.719 1.00 0.00 N ATOM 0 H HIS A 64 5.609 -8.328 6.216 1.00 0.00 H new ATOM 0 HA HIS A 64 5.714 -7.266 3.463 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.933 -6.755 5.865 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.963 -5.672 4.488 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.548 -6.547 2.262 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.389 -10.307 3.848 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.075 -8.671 1.923 1.00 0.00 H new ATOM 969 N SER A 65 7.237 -5.398 3.971 1.00 0.00 N ATOM 970 CA SER A 65 8.157 -4.297 4.231 1.00 0.00 C ATOM 971 C SER A 65 7.677 -3.017 3.555 1.00 0.00 C ATOM 972 O SER A 65 7.696 -2.903 2.328 1.00 0.00 O ATOM 973 CB SER A 65 9.561 -4.651 3.739 1.00 0.00 C ATOM 974 OG SER A 65 10.283 -5.364 4.729 1.00 0.00 O ATOM 0 H SER A 65 7.216 -5.709 3.000 1.00 0.00 H new ATOM 0 HA SER A 65 8.188 -4.129 5.308 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.491 -5.251 2.832 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.099 -3.740 3.478 1.00 0.00 H new ATOM 0 HG SER A 65 11.177 -5.580 4.390 1.00 0.00 H new ATOM 980 N LEU A 66 7.246 -2.054 4.363 1.00 0.00 N ATOM 981 CA LEU A 66 6.760 -0.780 3.844 1.00 0.00 C ATOM 982 C LEU A 66 7.838 0.295 3.943 1.00 0.00 C ATOM 983 O LEU A 66 8.383 0.544 5.019 1.00 0.00 O ATOM 984 CB LEU A 66 5.512 -0.338 4.609 1.00 0.00 C ATOM 985 CG LEU A 66 4.188 -0.945 4.142 1.00 0.00 C ATOM 986 CD1 LEU A 66 4.099 -2.408 4.548 1.00 0.00 C ATOM 987 CD2 LEU A 66 3.013 -0.160 4.706 1.00 0.00 C ATOM 0 H LEU A 66 7.223 -2.131 5.380 1.00 0.00 H new ATOM 0 HA LEU A 66 6.505 -0.917 2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.650 -0.584 5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.435 0.747 4.542 1.00 0.00 H new ATOM 0 HG LEU A 66 4.148 -0.888 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.150 -2.823 4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.921 -2.962 4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.162 -2.489 5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.079 -0.606 4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.048 -0.184 5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.068 0.874 4.364 1.00 0.00 H new ATOM 999 N ARG A 67 8.139 0.930 2.815 1.00 0.00 N ATOM 1000 CA ARG A 67 9.151 1.979 2.776 1.00 0.00 C ATOM 1001 C ARG A 67 8.652 3.186 1.987 1.00 0.00 C ATOM 1002 O ARG A 67 7.822 3.051 1.088 1.00 0.00 O ATOM 1003 CB ARG A 67 10.443 1.447 2.152 1.00 0.00 C ATOM 1004 CG ARG A 67 11.107 0.351 2.969 1.00 0.00 C ATOM 1005 CD ARG A 67 12.347 -0.189 2.273 1.00 0.00 C ATOM 1006 NE ARG A 67 13.510 -0.197 3.155 1.00 0.00 N ATOM 1007 CZ ARG A 67 14.247 0.879 3.410 1.00 0.00 C ATOM 1008 NH1 ARG A 67 13.942 2.043 2.852 1.00 0.00 N ATOM 1009 NH2 ARG A 67 15.291 0.792 4.224 1.00 0.00 N ATOM 0 H ARG A 67 7.697 0.737 1.916 1.00 0.00 H new ATOM 0 HA ARG A 67 9.353 2.294 3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.224 1.064 1.155 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.144 2.273 2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.380 0.741 3.950 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.399 -0.461 3.135 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.153 -1.202 1.920 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.563 0.419 1.394 1.00 0.00 H new ATOM 0 HE ARG A 67 13.771 -1.077 3.600 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.140 2.114 2.226 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.509 2.867 3.049 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.529 -0.101 4.655 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.856 1.619 4.419 1.00 0.00 H new ATOM 1023 N GLN A 68 9.162 4.364 2.331 1.00 0.00 N ATOM 1024 CA GLN A 68 8.767 5.594 1.656 1.00 0.00 C ATOM 1025 C GLN A 68 9.909 6.605 1.654 1.00 0.00 C ATOM 1026 O GLN A 68 10.594 6.785 2.661 1.00 0.00 O ATOM 1027 CB GLN A 68 7.536 6.199 2.333 1.00 0.00 C ATOM 1028 CG GLN A 68 7.103 7.527 1.733 1.00 0.00 C ATOM 1029 CD GLN A 68 5.781 8.016 2.291 1.00 0.00 C ATOM 1030 OE1 GLN A 68 5.426 7.715 3.430 1.00 0.00 O ATOM 1031 NE2 GLN A 68 5.044 8.776 1.488 1.00 0.00 N ATOM 0 H GLN A 68 9.850 4.492 3.073 1.00 0.00 H new ATOM 0 HA GLN A 68 8.521 5.349 0.623 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.709 5.492 2.264 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.747 6.340 3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.872 8.275 1.923 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.020 7.423 0.651 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.378 9.001 0.551 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.145 9.135 1.809 1.00 0.00 H new ATOM 1040 N ASP A 69 10.110 7.260 0.516 1.00 0.00 N ATOM 1041 CA ASP A 69 11.169 8.254 0.382 1.00 0.00 C ATOM 1042 C ASP A 69 10.677 9.471 -0.394 1.00 0.00 C ATOM 1043 O ASP A 69 10.698 9.486 -1.624 1.00 0.00 O ATOM 1044 CB ASP A 69 12.384 7.644 -0.318 1.00 0.00 C ATOM 1045 CG ASP A 69 13.266 6.858 0.633 1.00 0.00 C ATOM 1046 OD1 ASP A 69 14.109 7.481 1.312 1.00 0.00 O ATOM 1047 OD2 ASP A 69 13.114 5.620 0.698 1.00 0.00 O ATOM 0 H ASP A 69 9.553 7.121 -0.327 1.00 0.00 H new ATOM 0 HA ASP A 69 11.459 8.577 1.382 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.046 6.989 -1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.970 8.438 -0.780 1.00 0.00 H new ATOM 1052 N GLY A 70 10.235 10.492 0.334 1.00 0.00 N ATOM 1053 CA GLY A 70 9.743 11.700 -0.303 1.00 0.00 C ATOM 1054 C GLY A 70 8.482 11.458 -1.109 1.00 0.00 C ATOM 1055 O GLY A 70 7.408 11.250 -0.545 1.00 0.00 O ATOM 0 H GLY A 70 10.209 10.504 1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.544 12.454 0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.516 12.103 -0.957 1.00 0.00 H new ATOM 1059 N ALA A 71 8.611 11.486 -2.431 1.00 0.00 N ATOM 1060 CA ALA A 71 7.473 11.267 -3.315 1.00 0.00 C ATOM 1061 C ALA A 71 7.580 9.923 -4.026 1.00 0.00 C ATOM 1062 O ALA A 71 7.055 9.748 -5.126 1.00 0.00 O ATOM 1063 CB ALA A 71 7.368 12.396 -4.329 1.00 0.00 C ATOM 0 H ALA A 71 9.493 11.658 -2.914 1.00 0.00 H new ATOM 0 HA ALA A 71 6.569 11.255 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.514 12.220 -4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.235 13.343 -3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.279 12.435 -4.926 1.00 0.00 H new ATOM 1069 N ARG A 72 8.265 8.976 -3.393 1.00 0.00 N ATOM 1070 CA ARG A 72 8.443 7.648 -3.967 1.00 0.00 C ATOM 1071 C ARG A 72 8.139 6.565 -2.935 1.00 0.00 C ATOM 1072 O ARG A 72 8.978 6.244 -2.093 1.00 0.00 O ATOM 1073 CB ARG A 72 9.871 7.482 -4.490 1.00 0.00 C ATOM 1074 CG ARG A 72 10.007 7.748 -5.981 1.00 0.00 C ATOM 1075 CD ARG A 72 11.448 7.600 -6.443 1.00 0.00 C ATOM 1076 NE ARG A 72 11.599 6.536 -7.433 1.00 0.00 N ATOM 1077 CZ ARG A 72 12.771 6.017 -7.781 1.00 0.00 C ATOM 1078 NH1 ARG A 72 13.889 6.460 -7.222 1.00 0.00 N ATOM 1079 NH2 ARG A 72 12.827 5.052 -8.690 1.00 0.00 N ATOM 0 H ARG A 72 8.706 9.104 -2.482 1.00 0.00 H new ATOM 0 HA ARG A 72 7.745 7.542 -4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.529 8.160 -3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.212 6.469 -4.277 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.373 7.055 -6.535 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.653 8.754 -6.206 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.791 8.543 -6.869 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.084 7.389 -5.584 1.00 0.00 H new ATOM 0 HE ARG A 72 10.758 6.172 -7.881 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.850 7.201 -6.523 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.787 6.059 -7.491 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.969 4.708 -9.122 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.728 4.654 -8.957 1.00 0.00 H new ATOM 1093 N CYS A 73 6.936 6.007 -3.008 1.00 0.00 N ATOM 1094 CA CYS A 73 6.521 4.961 -2.080 1.00 0.00 C ATOM 1095 C CYS A 73 6.749 3.578 -2.682 1.00 0.00 C ATOM 1096 O CYS A 73 6.882 3.435 -3.897 1.00 0.00 O ATOM 1097 CB CYS A 73 5.047 5.134 -1.711 1.00 0.00 C ATOM 1098 SG CYS A 73 4.612 6.803 -1.169 1.00 0.00 S ATOM 0 H CYS A 73 6.231 6.261 -3.700 1.00 0.00 H new ATOM 0 HA CYS A 73 7.126 5.048 -1.178 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.435 4.873 -2.574 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.797 4.429 -0.918 1.00 0.00 H new ATOM 0 HG CYS A 73 3.345 6.849 -0.881 1.00 0.00 H new ATOM 1104 N GLU A 74 6.793 2.565 -1.823 1.00 0.00 N ATOM 1105 CA GLU A 74 7.008 1.194 -2.271 1.00 0.00 C ATOM 1106 C GLU A 74 6.585 0.197 -1.195 1.00 0.00 C ATOM 1107 O GLU A 74 6.594 0.511 -0.004 1.00 0.00 O ATOM 1108 CB GLU A 74 8.478 0.976 -2.633 1.00 0.00 C ATOM 1109 CG GLU A 74 9.417 1.055 -1.441 1.00 0.00 C ATOM 1110 CD GLU A 74 10.786 1.593 -1.811 1.00 0.00 C ATOM 1111 OE1 GLU A 74 10.921 2.826 -1.956 1.00 0.00 O ATOM 1112 OE2 GLU A 74 11.723 0.779 -1.956 1.00 0.00 O ATOM 0 H GLU A 74 6.683 2.667 -0.814 1.00 0.00 H new ATOM 0 HA GLU A 74 6.395 1.029 -3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.586 -0.000 -3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.776 1.722 -3.370 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.974 1.693 -0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.527 0.063 -1.003 1.00 0.00 H new ATOM 1119 N LEU A 75 6.213 -1.004 -1.624 1.00 0.00 N ATOM 1120 CA LEU A 75 5.786 -2.048 -0.698 1.00 0.00 C ATOM 1121 C LEU A 75 6.368 -3.400 -1.096 1.00 0.00 C ATOM 1122 O LEU A 75 5.954 -3.996 -2.090 1.00 0.00 O ATOM 1123 CB LEU A 75 4.259 -2.128 -0.660 1.00 0.00 C ATOM 1124 CG LEU A 75 3.669 -3.388 -0.025 1.00 0.00 C ATOM 1125 CD1 LEU A 75 4.101 -3.505 1.429 1.00 0.00 C ATOM 1126 CD2 LEU A 75 2.151 -3.380 -0.133 1.00 0.00 C ATOM 0 H LEU A 75 6.198 -1.279 -2.606 1.00 0.00 H new ATOM 0 HA LEU A 75 6.156 -1.793 0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.883 -1.261 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.885 -2.051 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 75 4.047 -4.255 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.672 -4.407 1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.188 -3.558 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.753 -2.633 1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.749 -4.284 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.754 -2.505 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.861 -3.345 -1.183 1.00 0.00 H new ATOM 1138 N GLN A 76 7.329 -3.879 -0.312 1.00 0.00 N ATOM 1139 CA GLN A 76 7.966 -5.162 -0.582 1.00 0.00 C ATOM 1140 C GLN A 76 7.243 -6.293 0.142 1.00 0.00 C ATOM 1141 O GLN A 76 6.750 -6.113 1.256 1.00 0.00 O ATOM 1142 CB GLN A 76 9.435 -5.125 -0.158 1.00 0.00 C ATOM 1143 CG GLN A 76 10.163 -6.443 -0.370 1.00 0.00 C ATOM 1144 CD GLN A 76 11.642 -6.254 -0.647 1.00 0.00 C ATOM 1145 OE1 GLN A 76 12.074 -6.248 -1.800 1.00 0.00 O ATOM 1146 NE2 GLN A 76 12.428 -6.099 0.412 1.00 0.00 N ATOM 0 H GLN A 76 7.683 -3.398 0.515 1.00 0.00 H new ATOM 0 HA GLN A 76 7.909 -5.348 -1.654 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.947 -4.343 -0.719 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.494 -4.853 0.896 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.040 -7.068 0.514 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.706 -6.976 -1.204 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.028 -6.110 1.350 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.432 -5.968 0.287 1.00 0.00 H new ATOM 1155 N ILE A 77 7.185 -7.456 -0.497 1.00 0.00 N ATOM 1156 CA ILE A 77 6.523 -8.616 0.088 1.00 0.00 C ATOM 1157 C ILE A 77 7.349 -9.881 -0.115 1.00 0.00 C ATOM 1158 O ILE A 77 7.487 -10.371 -1.235 1.00 0.00 O ATOM 1159 CB ILE A 77 5.122 -8.828 -0.516 1.00 0.00 C ATOM 1160 CG1 ILE A 77 4.256 -7.585 -0.302 1.00 0.00 C ATOM 1161 CG2 ILE A 77 4.461 -10.054 0.097 1.00 0.00 C ATOM 1162 CD1 ILE A 77 3.039 -7.535 -1.199 1.00 0.00 C ATOM 0 H ILE A 77 7.588 -7.621 -1.419 1.00 0.00 H new ATOM 0 HA ILE A 77 6.424 -8.418 1.155 1.00 0.00 H new ATOM 0 HB ILE A 77 5.226 -8.994 -1.588 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.932 -7.552 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.862 -6.696 -0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.472 -10.191 -0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.071 -10.935 -0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.366 -9.916 1.174 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.472 -6.627 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.356 -7.536 -2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.411 -8.406 -1.010 1.00 0.00 H new ATOM 1174 N ARG A 78 7.896 -10.406 0.977 1.00 0.00 N ATOM 1175 CA ARG A 78 8.708 -11.615 0.920 1.00 0.00 C ATOM 1176 C ARG A 78 7.860 -12.853 1.195 1.00 0.00 C ATOM 1177 O ARG A 78 6.890 -12.799 1.950 1.00 0.00 O ATOM 1178 CB ARG A 78 9.854 -11.533 1.930 1.00 0.00 C ATOM 1179 CG ARG A 78 11.228 -11.445 1.286 1.00 0.00 C ATOM 1180 CD ARG A 78 12.281 -12.156 2.121 1.00 0.00 C ATOM 1181 NE ARG A 78 13.594 -11.527 1.998 1.00 0.00 N ATOM 1182 CZ ARG A 78 14.611 -11.784 2.812 1.00 0.00 C ATOM 1183 NH1 ARG A 78 14.468 -12.654 3.803 1.00 0.00 N ATOM 1184 NH2 ARG A 78 15.775 -11.172 2.637 1.00 0.00 N ATOM 0 H ARG A 78 7.791 -10.012 1.912 1.00 0.00 H new ATOM 0 HA ARG A 78 9.123 -11.697 -0.084 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.704 -10.661 2.567 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.821 -12.410 2.577 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.193 -11.886 0.290 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.506 -10.399 1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.975 -12.155 3.167 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.348 -13.198 1.809 1.00 0.00 H new ATOM 0 HE ARG A 78 13.737 -10.853 1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.575 -13.127 3.941 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.251 -12.850 4.427 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.890 -10.503 1.876 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.555 -11.371 3.263 1.00 0.00 H new ATOM 1198 N GLY A 79 8.234 -13.969 0.577 1.00 0.00 N ATOM 1199 CA GLY A 79 7.497 -15.205 0.767 1.00 0.00 C ATOM 1200 C GLY A 79 6.191 -15.226 -0.001 1.00 0.00 C ATOM 1201 O GLY A 79 5.120 -15.400 0.583 1.00 0.00 O ATOM 0 H GLY A 79 9.034 -14.039 -0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.115 -16.045 0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.293 -15.343 1.829 1.00 0.00 H new ATOM 1205 N LEU A 80 6.276 -15.047 -1.315 1.00 0.00 N ATOM 1206 CA LEU A 80 5.091 -15.044 -2.165 1.00 0.00 C ATOM 1207 C LEU A 80 4.383 -16.394 -2.116 1.00 0.00 C ATOM 1208 O LEU A 80 4.891 -17.353 -1.536 1.00 0.00 O ATOM 1209 CB LEU A 80 5.475 -14.709 -3.608 1.00 0.00 C ATOM 1210 CG LEU A 80 5.633 -13.223 -3.933 1.00 0.00 C ATOM 1211 CD1 LEU A 80 6.397 -13.040 -5.235 1.00 0.00 C ATOM 1212 CD2 LEU A 80 4.272 -12.548 -4.011 1.00 0.00 C ATOM 0 H LEU A 80 7.153 -14.902 -1.815 1.00 0.00 H new ATOM 0 HA LEU A 80 4.407 -14.282 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.414 -15.213 -3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.717 -15.127 -4.271 1.00 0.00 H new ATOM 0 HG LEU A 80 6.204 -12.753 -3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.500 -11.976 -5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.386 -13.489 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.854 -13.524 -6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.403 -11.491 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.676 -13.020 -4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.761 -12.649 -3.054 1.00 0.00 H new ATOM 1224 N VAL A 81 3.206 -16.462 -2.732 1.00 0.00 N ATOM 1225 CA VAL A 81 2.429 -17.695 -2.761 1.00 0.00 C ATOM 1226 C VAL A 81 1.316 -17.618 -3.800 1.00 0.00 C ATOM 1227 O VAL A 81 1.422 -18.195 -4.882 1.00 0.00 O ATOM 1228 CB VAL A 81 1.810 -18.002 -1.384 1.00 0.00 C ATOM 1229 CG1 VAL A 81 2.618 -19.069 -0.662 1.00 0.00 C ATOM 1230 CG2 VAL A 81 1.718 -16.734 -0.548 1.00 0.00 C ATOM 0 H VAL A 81 2.771 -15.678 -3.217 1.00 0.00 H new ATOM 0 HA VAL A 81 3.118 -18.497 -3.028 1.00 0.00 H new ATOM 0 HB VAL A 81 0.801 -18.385 -1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.166 -19.273 0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.628 -19.982 -1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.640 -18.717 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.279 -16.969 0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.716 -16.320 -0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.093 -16.004 -1.062 1.00 0.00 H new ATOM 1240 N ALA A 82 0.249 -16.900 -3.464 1.00 0.00 N ATOM 1241 CA ALA A 82 -0.883 -16.746 -4.369 1.00 0.00 C ATOM 1242 C ALA A 82 -1.971 -15.879 -3.744 1.00 0.00 C ATOM 1243 O ALA A 82 -2.656 -15.130 -4.440 1.00 0.00 O ATOM 1244 CB ALA A 82 -1.445 -18.108 -4.750 1.00 0.00 C ATOM 0 H ALA A 82 0.145 -16.416 -2.572 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.529 -16.247 -5.271 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.290 -17.977 -5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.672 -18.695 -5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.777 -18.629 -3.852 1.00 0.00 H new ATOM 1250 N GLU A 83 -2.124 -15.986 -2.428 1.00 0.00 N ATOM 1251 CA GLU A 83 -3.130 -15.212 -1.711 1.00 0.00 C ATOM 1252 C GLU A 83 -2.798 -13.723 -1.746 1.00 0.00 C ATOM 1253 O GLU A 83 -3.693 -12.877 -1.781 1.00 0.00 O ATOM 1254 CB GLU A 83 -3.234 -15.688 -0.260 1.00 0.00 C ATOM 1255 CG GLU A 83 -4.317 -16.731 -0.038 1.00 0.00 C ATOM 1256 CD GLU A 83 -5.473 -16.204 0.788 1.00 0.00 C ATOM 1257 OE1 GLU A 83 -5.995 -15.119 0.454 1.00 0.00 O ATOM 1258 OE2 GLU A 83 -5.857 -16.874 1.769 1.00 0.00 O ATOM 0 H GLU A 83 -1.564 -16.601 -1.837 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.089 -15.365 -2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.274 -16.102 0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.431 -14.829 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.691 -17.072 -1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.884 -17.598 0.461 1.00 0.00 H new ATOM 1265 N ASP A 84 -1.507 -13.410 -1.737 1.00 0.00 N ATOM 1266 CA ASP A 84 -1.056 -12.024 -1.768 1.00 0.00 C ATOM 1267 C ASP A 84 -1.677 -11.277 -2.944 1.00 0.00 C ATOM 1268 O ASP A 84 -1.894 -10.067 -2.879 1.00 0.00 O ATOM 1269 CB ASP A 84 0.470 -11.964 -1.858 1.00 0.00 C ATOM 1270 CG ASP A 84 1.136 -12.128 -0.506 1.00 0.00 C ATOM 1271 OD1 ASP A 84 1.330 -11.108 0.187 1.00 0.00 O ATOM 1272 OD2 ASP A 84 1.464 -13.277 -0.142 1.00 0.00 O ATOM 0 H ASP A 84 -0.754 -14.098 -1.708 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.377 -11.542 -0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.822 -12.746 -2.531 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.768 -11.010 -2.294 1.00 0.00 H new ATOM 1277 N ALA A 85 -1.960 -12.006 -4.019 1.00 0.00 N ATOM 1278 CA ALA A 85 -2.557 -11.413 -5.209 1.00 0.00 C ATOM 1279 C ALA A 85 -3.893 -10.755 -4.884 1.00 0.00 C ATOM 1280 O ALA A 85 -4.595 -11.175 -3.965 1.00 0.00 O ATOM 1281 CB ALA A 85 -2.734 -12.467 -6.292 1.00 0.00 C ATOM 0 H ALA A 85 -1.785 -13.008 -4.090 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.882 -10.640 -5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.181 -12.010 -7.175 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.763 -12.887 -6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.385 -13.260 -5.925 1.00 0.00 H new ATOM 1287 N GLY A 86 -4.240 -9.721 -5.644 1.00 0.00 N ATOM 1288 CA GLY A 86 -5.491 -9.021 -5.419 1.00 0.00 C ATOM 1289 C GLY A 86 -5.456 -7.593 -5.924 1.00 0.00 C ATOM 1290 O GLY A 86 -4.810 -7.300 -6.930 1.00 0.00 O ATOM 0 H GLY A 86 -3.677 -9.355 -6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.299 -9.559 -5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.717 -9.020 -4.353 1.00 0.00 H new ATOM 1294 N GLU A 87 -6.154 -6.702 -5.226 1.00 0.00 N ATOM 1295 CA GLU A 87 -6.201 -5.297 -5.612 1.00 0.00 C ATOM 1296 C GLU A 87 -5.532 -4.420 -4.558 1.00 0.00 C ATOM 1297 O GLU A 87 -6.098 -4.170 -3.493 1.00 0.00 O ATOM 1298 CB GLU A 87 -7.649 -4.850 -5.819 1.00 0.00 C ATOM 1299 CG GLU A 87 -7.793 -3.366 -6.111 1.00 0.00 C ATOM 1300 CD GLU A 87 -9.178 -3.000 -6.609 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -10.125 -3.024 -5.795 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -9.314 -2.691 -7.811 1.00 0.00 O ATOM 0 H GLU A 87 -6.694 -6.929 -4.391 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.657 -5.186 -6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.081 -5.417 -6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.226 -5.094 -4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.575 -2.799 -5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.054 -3.073 -6.857 1.00 0.00 H new ATOM 1309 N TYR A 88 -4.325 -3.956 -4.861 1.00 0.00 N ATOM 1310 CA TYR A 88 -3.577 -3.110 -3.939 1.00 0.00 C ATOM 1311 C TYR A 88 -3.929 -1.639 -4.142 1.00 0.00 C ATOM 1312 O TYR A 88 -3.702 -1.076 -5.214 1.00 0.00 O ATOM 1313 CB TYR A 88 -2.074 -3.316 -4.129 1.00 0.00 C ATOM 1314 CG TYR A 88 -1.538 -4.544 -3.428 1.00 0.00 C ATOM 1315 CD1 TYR A 88 -1.689 -5.808 -3.985 1.00 0.00 C ATOM 1316 CD2 TYR A 88 -0.881 -4.441 -2.208 1.00 0.00 C ATOM 1317 CE1 TYR A 88 -1.202 -6.933 -3.348 1.00 0.00 C ATOM 1318 CE2 TYR A 88 -0.389 -5.560 -1.564 1.00 0.00 C ATOM 1319 CZ TYR A 88 -0.552 -6.803 -2.138 1.00 0.00 C ATOM 1320 OH TYR A 88 -0.065 -7.921 -1.499 1.00 0.00 O ATOM 0 H TYR A 88 -3.843 -4.152 -5.739 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.850 -3.394 -2.923 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.858 -3.393 -5.195 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.546 -2.437 -3.759 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.196 -5.913 -4.933 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.753 -3.469 -1.755 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.329 -7.908 -3.794 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.120 -5.462 -0.617 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.542 -8.715 -1.820 1.00 0.00 H new ATOM 1330 N LEU A 89 -4.485 -1.022 -3.105 1.00 0.00 N ATOM 1331 CA LEU A 89 -4.869 0.384 -3.167 1.00 0.00 C ATOM 1332 C LEU A 89 -3.835 1.262 -2.469 1.00 0.00 C ATOM 1333 O LEU A 89 -2.994 0.769 -1.716 1.00 0.00 O ATOM 1334 CB LEU A 89 -6.242 0.586 -2.525 1.00 0.00 C ATOM 1335 CG LEU A 89 -7.277 1.326 -3.374 1.00 0.00 C ATOM 1336 CD1 LEU A 89 -8.599 0.575 -3.378 1.00 0.00 C ATOM 1337 CD2 LEU A 89 -7.470 2.746 -2.862 1.00 0.00 C ATOM 0 H LEU A 89 -4.680 -1.473 -2.211 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.918 0.676 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.647 -0.392 -2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.108 1.134 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.909 1.377 -4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.323 1.116 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.450 -0.422 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.973 0.492 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.210 3.257 -3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.816 2.716 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.523 3.283 -2.912 1.00 0.00 H new ATOM 1349 N CYS A 90 -3.904 2.564 -2.723 1.00 0.00 N ATOM 1350 CA CYS A 90 -2.974 3.511 -2.119 1.00 0.00 C ATOM 1351 C CYS A 90 -3.580 4.910 -2.067 1.00 0.00 C ATOM 1352 O CYS A 90 -3.502 5.667 -3.034 1.00 0.00 O ATOM 1353 CB CYS A 90 -1.661 3.540 -2.902 1.00 0.00 C ATOM 1354 SG CYS A 90 -0.246 4.139 -1.949 1.00 0.00 S ATOM 0 H CYS A 90 -4.594 2.988 -3.343 1.00 0.00 H new ATOM 0 HA CYS A 90 -2.773 3.183 -1.099 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.443 2.535 -3.263 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -1.788 4.173 -3.780 1.00 0.00 H new ATOM 0 HG CYS A 90 0.818 4.124 -2.696 1.00 0.00 H new ATOM 1360 N MET A 91 -4.185 5.245 -0.932 1.00 0.00 N ATOM 1361 CA MET A 91 -4.806 6.553 -0.755 1.00 0.00 C ATOM 1362 C MET A 91 -3.817 7.546 -0.152 1.00 0.00 C ATOM 1363 O MET A 91 -3.219 7.285 0.892 1.00 0.00 O ATOM 1364 CB MET A 91 -6.041 6.438 0.140 1.00 0.00 C ATOM 1365 CG MET A 91 -7.059 5.425 -0.357 1.00 0.00 C ATOM 1366 SD MET A 91 -8.694 5.672 0.364 1.00 0.00 S ATOM 1367 CE MET A 91 -8.848 4.196 1.367 1.00 0.00 C ATOM 0 H MET A 91 -4.259 4.630 -0.122 1.00 0.00 H new ATOM 0 HA MET A 91 -5.110 6.919 -1.735 1.00 0.00 H new ATOM 0 HB2 MET A 91 -5.726 6.161 1.146 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.519 7.415 0.213 1.00 0.00 H new ATOM 0 HG2 MET A 91 -7.131 5.491 -1.443 1.00 0.00 H new ATOM 0 HG3 MET A 91 -6.710 4.420 -0.121 1.00 0.00 H new ATOM 0 HE1 MET A 91 -9.903 3.954 1.499 1.00 0.00 H new ATOM 0 HE2 MET A 91 -8.345 3.366 0.872 1.00 0.00 H new ATOM 0 HE3 MET A 91 -8.391 4.369 2.341 1.00 0.00 H new ATOM 1377 N CYS A 92 -3.650 8.684 -0.816 1.00 0.00 N ATOM 1378 CA CYS A 92 -2.733 9.716 -0.346 1.00 0.00 C ATOM 1379 C CYS A 92 -3.472 11.026 -0.093 1.00 0.00 C ATOM 1380 O CYS A 92 -3.703 11.808 -1.014 1.00 0.00 O ATOM 1381 CB CYS A 92 -1.614 9.937 -1.365 1.00 0.00 C ATOM 1382 SG CYS A 92 -0.432 11.223 -0.898 1.00 0.00 S ATOM 0 H CYS A 92 -4.138 8.916 -1.681 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.297 9.378 0.594 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -1.077 8.999 -1.507 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -2.058 10.199 -2.325 1.00 0.00 H new ATOM 0 HG CYS A 92 -0.096 11.072 0.349 1.00 0.00 H new ATOM 1388 N GLY A 93 -3.841 11.259 1.163 1.00 0.00 N ATOM 1389 CA GLY A 93 -4.551 12.474 1.515 1.00 0.00 C ATOM 1390 C GLY A 93 -5.986 12.469 1.025 1.00 0.00 C ATOM 1391 O GLY A 93 -6.911 12.205 1.793 1.00 0.00 O ATOM 0 H GLY A 93 -3.661 10.627 1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.540 12.597 2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.029 13.332 1.092 1.00 0.00 H new ATOM 1395 N LYS A 94 -6.173 12.764 -0.257 1.00 0.00 N ATOM 1396 CA LYS A 94 -7.505 12.793 -0.850 1.00 0.00 C ATOM 1397 C LYS A 94 -7.604 11.813 -2.014 1.00 0.00 C ATOM 1398 O LYS A 94 -8.479 10.949 -2.036 1.00 0.00 O ATOM 1399 CB LYS A 94 -7.841 14.207 -1.329 1.00 0.00 C ATOM 1400 CG LYS A 94 -8.492 15.072 -0.263 1.00 0.00 C ATOM 1401 CD LYS A 94 -9.179 16.283 -0.871 1.00 0.00 C ATOM 1402 CE LYS A 94 -8.178 17.371 -1.230 1.00 0.00 C ATOM 1403 NZ LYS A 94 -8.333 17.826 -2.639 1.00 0.00 N ATOM 0 H LYS A 94 -5.418 12.987 -0.906 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.223 12.495 -0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.927 14.693 -1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.508 14.141 -2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.220 14.480 0.293 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.737 15.401 0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.726 15.982 -1.764 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.911 16.679 -0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.308 18.220 -0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.165 16.997 -1.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.633 18.567 -2.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.184 17.022 -3.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.291 18.207 -2.777 1.00 0.00 H new ATOM 1417 N GLU A 95 -6.700 11.955 -2.979 1.00 0.00 N ATOM 1418 CA GLU A 95 -6.687 11.080 -4.146 1.00 0.00 C ATOM 1419 C GLU A 95 -6.415 9.635 -3.740 1.00 0.00 C ATOM 1420 O GLU A 95 -6.086 9.354 -2.587 1.00 0.00 O ATOM 1421 CB GLU A 95 -5.630 11.548 -5.149 1.00 0.00 C ATOM 1422 CG GLU A 95 -5.977 12.860 -5.831 1.00 0.00 C ATOM 1423 CD GLU A 95 -7.263 12.780 -6.631 1.00 0.00 C ATOM 1424 OE1 GLU A 95 -7.734 11.653 -6.886 1.00 0.00 O ATOM 1425 OE2 GLU A 95 -7.798 13.846 -7.001 1.00 0.00 O ATOM 0 H GLU A 95 -5.969 12.666 -2.976 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.670 11.128 -4.615 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.676 11.657 -4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.496 10.778 -5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.070 13.643 -5.078 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.160 13.149 -6.492 1.00 0.00 H new ATOM 1432 N ARG A 96 -6.555 8.722 -4.695 1.00 0.00 N ATOM 1433 CA ARG A 96 -6.326 7.305 -4.437 1.00 0.00 C ATOM 1434 C ARG A 96 -6.059 6.552 -5.737 1.00 0.00 C ATOM 1435 O ARG A 96 -6.417 7.015 -6.821 1.00 0.00 O ATOM 1436 CB ARG A 96 -7.531 6.694 -3.720 1.00 0.00 C ATOM 1437 CG ARG A 96 -8.826 6.799 -4.508 1.00 0.00 C ATOM 1438 CD ARG A 96 -10.025 6.389 -3.667 1.00 0.00 C ATOM 1439 NE ARG A 96 -11.262 7.003 -4.141 1.00 0.00 N ATOM 1440 CZ ARG A 96 -11.945 6.563 -5.192 1.00 0.00 C ATOM 1441 NH1 ARG A 96 -11.513 5.512 -5.875 1.00 0.00 N ATOM 1442 NH2 ARG A 96 -13.063 7.175 -5.562 1.00 0.00 N ATOM 0 H ARG A 96 -6.826 8.938 -5.654 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.448 7.215 -3.798 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.326 5.644 -3.513 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.660 7.189 -2.758 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.958 7.823 -4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.767 6.165 -5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -10.128 5.304 -3.687 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.854 6.674 -2.629 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.621 7.814 -3.638 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.654 5.039 -5.594 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.040 5.176 -6.682 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -13.399 7.984 -5.039 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.587 6.836 -6.369 1.00 0.00 H new ATOM 1456 N THR A 97 -5.426 5.388 -5.622 1.00 0.00 N ATOM 1457 CA THR A 97 -5.109 4.572 -6.787 1.00 0.00 C ATOM 1458 C THR A 97 -5.217 3.086 -6.463 1.00 0.00 C ATOM 1459 O THR A 97 -5.236 2.696 -5.296 1.00 0.00 O ATOM 1460 CB THR A 97 -3.692 4.870 -7.313 1.00 0.00 C ATOM 1461 OG1 THR A 97 -3.466 4.163 -8.538 1.00 0.00 O ATOM 1462 CG2 THR A 97 -2.640 4.472 -6.290 1.00 0.00 C ATOM 0 H THR A 97 -5.123 4.990 -4.733 1.00 0.00 H new ATOM 0 HA THR A 97 -5.836 4.827 -7.559 1.00 0.00 H new ATOM 0 HB THR A 97 -3.613 5.942 -7.493 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.564 4.359 -8.867 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.648 4.692 -6.684 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.797 5.033 -5.369 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.720 3.405 -6.082 1.00 0.00 H new ATOM 1470 N SER A 98 -5.285 2.262 -7.504 1.00 0.00 N ATOM 1471 CA SER A 98 -5.394 0.818 -7.329 1.00 0.00 C ATOM 1472 C SER A 98 -4.747 0.080 -8.497 1.00 0.00 C ATOM 1473 O SER A 98 -4.779 0.547 -9.635 1.00 0.00 O ATOM 1474 CB SER A 98 -6.862 0.408 -7.201 1.00 0.00 C ATOM 1475 OG SER A 98 -7.713 1.361 -7.814 1.00 0.00 O ATOM 0 H SER A 98 -5.267 2.569 -8.476 1.00 0.00 H new ATOM 0 HA SER A 98 -4.868 0.546 -6.414 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.012 -0.568 -7.663 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.124 0.306 -6.148 1.00 0.00 H new ATOM 0 HG SER A 98 -8.646 1.075 -7.720 1.00 0.00 H new ATOM 1481 N ALA A 99 -4.160 -1.077 -8.206 1.00 0.00 N ATOM 1482 CA ALA A 99 -3.508 -1.882 -9.231 1.00 0.00 C ATOM 1483 C ALA A 99 -3.904 -3.349 -9.111 1.00 0.00 C ATOM 1484 O ALA A 99 -4.668 -3.725 -8.223 1.00 0.00 O ATOM 1485 CB ALA A 99 -1.996 -1.732 -9.137 1.00 0.00 C ATOM 0 H ALA A 99 -4.123 -1.477 -7.269 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.838 -1.522 -10.205 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.522 -2.339 -9.908 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.725 -0.686 -9.280 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.658 -2.064 -8.155 1.00 0.00 H new ATOM 1491 N MET A 100 -3.381 -4.174 -10.012 1.00 0.00 N ATOM 1492 CA MET A 100 -3.680 -5.601 -10.006 1.00 0.00 C ATOM 1493 C MET A 100 -2.397 -6.426 -9.983 1.00 0.00 C ATOM 1494 O MET A 100 -1.686 -6.515 -10.984 1.00 0.00 O ATOM 1495 CB MET A 100 -4.517 -5.973 -11.232 1.00 0.00 C ATOM 1496 CG MET A 100 -5.996 -5.660 -11.076 1.00 0.00 C ATOM 1497 SD MET A 100 -7.021 -7.143 -11.042 1.00 0.00 S ATOM 1498 CE MET A 100 -7.012 -7.521 -9.292 1.00 0.00 C ATOM 0 H MET A 100 -2.748 -3.879 -10.755 1.00 0.00 H new ATOM 0 HA MET A 100 -4.250 -5.823 -9.104 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.131 -5.440 -12.101 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.399 -7.038 -11.433 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.149 -5.096 -10.156 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.317 -5.020 -11.898 1.00 0.00 H new ATOM 0 HE1 MET A 100 -7.846 -8.183 -9.058 1.00 0.00 H new ATOM 0 HE2 MET A 100 -6.075 -8.012 -9.031 1.00 0.00 H new ATOM 0 HE3 MET A 100 -7.110 -6.598 -8.720 1.00 0.00 H new ATOM 1508 N LEU A 101 -2.107 -7.027 -8.834 1.00 0.00 N ATOM 1509 CA LEU A 101 -0.909 -7.845 -8.680 1.00 0.00 C ATOM 1510 C LEU A 101 -1.198 -9.304 -9.018 1.00 0.00 C ATOM 1511 O LEU A 101 -2.148 -9.896 -8.504 1.00 0.00 O ATOM 1512 CB LEU A 101 -0.374 -7.737 -7.251 1.00 0.00 C ATOM 1513 CG LEU A 101 1.003 -8.352 -7.001 1.00 0.00 C ATOM 1514 CD1 LEU A 101 2.100 -7.425 -7.502 1.00 0.00 C ATOM 1515 CD2 LEU A 101 1.192 -8.655 -5.522 1.00 0.00 C ATOM 0 H LEU A 101 -2.685 -6.963 -7.996 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.154 -7.474 -9.373 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.334 -6.682 -6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.089 -8.212 -6.580 1.00 0.00 H new ATOM 0 HG LEU A 101 1.067 -9.289 -7.554 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.073 -7.879 -7.316 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.976 -7.259 -8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.038 -6.471 -6.978 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.178 -9.092 -5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.108 -7.732 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.426 -9.358 -5.194 1.00 0.00 H new ATOM 1527 N THR A 102 -0.372 -9.881 -9.885 1.00 0.00 N ATOM 1528 CA THR A 102 -0.538 -11.270 -10.291 1.00 0.00 C ATOM 1529 C THR A 102 0.616 -12.131 -9.790 1.00 0.00 C ATOM 1530 O THR A 102 1.774 -11.715 -9.822 1.00 0.00 O ATOM 1531 CB THR A 102 -0.632 -11.400 -11.823 1.00 0.00 C ATOM 1532 OG1 THR A 102 -1.685 -10.568 -12.322 1.00 0.00 O ATOM 1533 CG2 THR A 102 -0.886 -12.844 -12.229 1.00 0.00 C ATOM 0 H THR A 102 0.419 -9.407 -10.320 1.00 0.00 H new ATOM 0 HA THR A 102 -1.469 -11.620 -9.846 1.00 0.00 H new ATOM 0 HB THR A 102 0.318 -11.080 -12.251 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.737 -10.655 -13.297 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.949 -12.911 -13.315 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.069 -13.471 -11.873 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.823 -13.186 -11.790 1.00 0.00 H new ATOM 1541 N VAL A 103 0.293 -13.335 -9.327 1.00 0.00 N ATOM 1542 CA VAL A 103 1.303 -14.256 -8.821 1.00 0.00 C ATOM 1543 C VAL A 103 1.314 -15.554 -9.621 1.00 0.00 C ATOM 1544 O VAL A 103 0.358 -16.328 -9.581 1.00 0.00 O ATOM 1545 CB VAL A 103 1.068 -14.584 -7.334 1.00 0.00 C ATOM 1546 CG1 VAL A 103 2.174 -15.484 -6.805 1.00 0.00 C ATOM 1547 CG2 VAL A 103 0.972 -13.305 -6.516 1.00 0.00 C ATOM 0 H VAL A 103 -0.661 -13.695 -9.292 1.00 0.00 H new ATOM 0 HA VAL A 103 2.267 -13.759 -8.928 1.00 0.00 H new ATOM 0 HB VAL A 103 0.123 -15.119 -7.242 1.00 0.00 H new ATOM 0 HG11 VAL A 103 1.991 -15.705 -5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.190 -16.414 -7.374 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.134 -14.979 -6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.806 -13.555 -5.468 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.900 -12.741 -6.612 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.141 -12.701 -6.881 1.00 0.00 H new ATOM 1557 N ARG A 104 2.403 -15.786 -10.346 1.00 0.00 N ATOM 1558 CA ARG A 104 2.539 -16.990 -11.156 1.00 0.00 C ATOM 1559 C ARG A 104 2.927 -18.186 -10.292 1.00 0.00 C ATOM 1560 O ARG A 104 3.182 -18.044 -9.097 1.00 0.00 O ATOM 1561 CB ARG A 104 3.586 -16.778 -12.251 1.00 0.00 C ATOM 1562 CG ARG A 104 3.187 -15.735 -13.282 1.00 0.00 C ATOM 1563 CD ARG A 104 2.555 -16.376 -14.508 1.00 0.00 C ATOM 1564 NE ARG A 104 3.484 -17.266 -15.200 1.00 0.00 N ATOM 1565 CZ ARG A 104 3.129 -18.066 -16.199 1.00 0.00 C ATOM 1566 NH1 ARG A 104 1.872 -18.087 -16.621 1.00 0.00 N ATOM 1567 NH2 ARG A 104 4.032 -18.846 -16.779 1.00 0.00 N ATOM 0 H ARG A 104 3.204 -15.156 -10.389 1.00 0.00 H new ATOM 0 HA ARG A 104 1.574 -17.196 -11.620 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.527 -16.479 -11.789 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.767 -17.726 -12.757 1.00 0.00 H new ATOM 0 HG2 ARG A 104 2.485 -15.031 -12.836 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.065 -15.163 -13.581 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.670 -16.938 -14.208 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.221 -15.597 -15.193 1.00 0.00 H new ATOM 0 HE ARG A 104 4.459 -17.273 -14.900 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.175 -17.488 -16.178 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.602 -18.702 -17.388 1.00 0.00 H new ATOM 0 HH21 ARG A 104 5.000 -18.832 -16.458 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.758 -19.460 -17.546 1.00 0.00 H new ATOM 1581 N ALA A 105 2.968 -19.364 -10.905 1.00 0.00 N ATOM 1582 CA ALA A 105 3.326 -20.585 -10.193 1.00 0.00 C ATOM 1583 C ALA A 105 4.751 -21.015 -10.522 1.00 0.00 C ATOM 1584 O ALA A 105 5.216 -20.845 -11.649 1.00 0.00 O ATOM 1585 CB ALA A 105 2.345 -21.698 -10.528 1.00 0.00 C ATOM 0 H ALA A 105 2.758 -19.499 -11.894 1.00 0.00 H new ATOM 0 HA ALA A 105 3.275 -20.381 -9.124 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.624 -22.604 -9.990 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.339 -21.397 -10.235 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.367 -21.892 -11.600 1.00 0.00 H new ATOM 1591 N MET A 106 5.439 -21.573 -9.532 1.00 0.00 N ATOM 1592 CA MET A 106 6.812 -22.028 -9.717 1.00 0.00 C ATOM 1593 C MET A 106 6.895 -23.066 -10.832 1.00 0.00 C ATOM 1594 O MET A 106 5.900 -23.685 -11.211 1.00 0.00 O ATOM 1595 CB MET A 106 7.358 -22.616 -8.415 1.00 0.00 C ATOM 1596 CG MET A 106 8.298 -21.680 -7.672 1.00 0.00 C ATOM 1597 SD MET A 106 9.167 -22.498 -6.320 1.00 0.00 S ATOM 1598 CE MET A 106 10.643 -23.066 -7.160 1.00 0.00 C ATOM 0 H MET A 106 5.068 -21.721 -8.593 1.00 0.00 H new ATOM 0 HA MET A 106 7.418 -21.167 -10.000 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.523 -22.871 -7.763 1.00 0.00 H new ATOM 0 HB3 MET A 106 7.884 -23.544 -8.638 1.00 0.00 H new ATOM 0 HG2 MET A 106 9.026 -21.271 -8.372 1.00 0.00 H new ATOM 0 HG3 MET A 106 7.729 -20.838 -7.277 1.00 0.00 H new ATOM 0 HE1 MET A 106 11.284 -23.593 -6.453 1.00 0.00 H new ATOM 0 HE2 MET A 106 10.364 -23.740 -7.970 1.00 0.00 H new ATOM 0 HE3 MET A 106 11.181 -22.211 -7.569 1.00 0.00 H new ATOM 1608 N PRO A 107 8.107 -23.263 -11.370 1.00 0.00 N ATOM 1609 CA PRO A 107 8.348 -24.226 -12.449 1.00 0.00 C ATOM 1610 C PRO A 107 8.216 -25.670 -11.976 1.00 0.00 C ATOM 1611 O PRO A 107 8.902 -26.094 -11.047 1.00 0.00 O ATOM 1612 CB PRO A 107 9.789 -23.932 -12.872 1.00 0.00 C ATOM 1613 CG PRO A 107 10.423 -23.331 -11.666 1.00 0.00 C ATOM 1614 CD PRO A 107 9.337 -22.560 -10.968 1.00 0.00 C ATOM 0 HA PRO A 107 7.623 -24.123 -13.257 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.305 -24.842 -13.179 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.821 -23.247 -13.719 1.00 0.00 H new ATOM 0 HG2 PRO A 107 10.833 -24.103 -11.015 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.249 -22.677 -11.944 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.470 -22.569 -9.886 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.323 -21.515 -11.279 1.00 0.00 H new