USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 657 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 17 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -20:sc= -4.65! USER MOD Single : A 22 HIS : no HD1:sc= -2.63! K(o=-2.6!,f=-1.6) USER MOD Single : A 23 LYS NZ :NH3+ 149:sc= -3.74! (180deg=-6.07!) USER MOD Single : A 32 SER OG : rot 71:sc= 0.178 USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -8.17! C(o=-8.2!,f=-8.6!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc=-0.00842 X(o=-0.0084,f=-0.044) USER MOD Single : A 62 GLN : amide:sc= -0.655 X(o=-0.65,f=-0.43) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.06 K(o=-2.1,f=-13!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.342 X(o=-0.34,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0993) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 100:sc= 0.19 USER MOD Single : A 79 THR OG1 : rot -103:sc= -0.286 USER MOD Single : A 80 HIS : no HE2:sc= -1.39! C(o=-1.4!,f=-8.4!) USER MOD Single : A 81 HIS : no HD1:sc= -1.32! K(o=-1.3!,f=-0.54) USER MOD Single : A 89 GLN : amide:sc= -0.145 K(o=-0.14,f=-0.75) USER MOD Single : A 95 GLN : amide:sc= -2.2! C(o=-2.2!,f=-2.4!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 205 N HIS A 17 4.575 -6.617 2.491 1.00 0.00 N ATOM 206 CA HIS A 17 5.571 -5.752 3.101 1.00 0.00 C ATOM 207 C HIS A 17 4.921 -4.429 3.510 1.00 0.00 C ATOM 208 O HIS A 17 4.545 -3.628 2.656 1.00 0.00 O ATOM 209 CB HIS A 17 6.768 -5.561 2.168 1.00 0.00 C ATOM 210 CG HIS A 17 8.080 -6.035 2.748 1.00 0.00 C ATOM 211 ND1 HIS A 17 8.280 -7.331 3.189 1.00 0.00 N ATOM 212 CD2 HIS A 17 9.254 -5.372 2.953 1.00 0.00 C ATOM 213 CE1 HIS A 17 9.523 -7.433 3.638 1.00 0.00 C ATOM 214 NE2 HIS A 17 10.124 -6.218 3.492 1.00 0.00 N ATOM 0 HA HIS A 17 5.960 -6.220 4.005 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.579 -6.096 1.237 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.854 -4.504 1.916 1.00 0.00 H new ATOM 0 HD2 HIS A 17 9.444 -4.335 2.717 1.00 0.00 H new ATOM 0 HE1 HIS A 17 9.979 -8.322 4.047 1.00 0.00 H new ATOM 0 HE2 HIS A 17 11.084 -5.995 3.754 1.00 0.00 H new ATOM 222 N VAL A 18 4.808 -4.241 4.817 1.00 0.00 N ATOM 223 CA VAL A 18 4.210 -3.029 5.349 1.00 0.00 C ATOM 224 C VAL A 18 5.223 -1.885 5.264 1.00 0.00 C ATOM 225 O VAL A 18 6.420 -2.097 5.448 1.00 0.00 O ATOM 226 CB VAL A 18 3.705 -3.276 6.773 1.00 0.00 C ATOM 227 CG1 VAL A 18 3.323 -1.961 7.455 1.00 0.00 C ATOM 228 CG2 VAL A 18 2.532 -4.257 6.776 1.00 0.00 C ATOM 0 H VAL A 18 5.121 -4.908 5.523 1.00 0.00 H new ATOM 0 HA VAL A 18 3.342 -2.739 4.756 1.00 0.00 H new ATOM 0 HB VAL A 18 4.518 -3.725 7.344 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.968 -2.165 8.465 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.195 -1.309 7.502 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.534 -1.471 6.885 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.192 -4.415 7.800 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.715 -3.849 6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.852 -5.208 6.349 1.00 0.00 H new ATOM 238 N THR A 19 4.705 -0.698 4.986 1.00 0.00 N ATOM 239 CA THR A 19 5.549 0.479 4.874 1.00 0.00 C ATOM 240 C THR A 19 5.022 1.601 5.771 1.00 0.00 C ATOM 241 O THR A 19 4.004 2.220 5.464 1.00 0.00 O ATOM 242 CB THR A 19 5.625 0.868 3.396 1.00 0.00 C ATOM 243 OG1 THR A 19 6.373 -0.187 2.798 1.00 0.00 O ATOM 244 CG2 THR A 19 6.484 2.112 3.162 1.00 0.00 C ATOM 0 H THR A 19 3.711 -0.526 4.835 1.00 0.00 H new ATOM 0 HA THR A 19 6.561 0.274 5.224 1.00 0.00 H new ATOM 0 HB THR A 19 4.619 1.044 3.015 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.884 -0.658 3.489 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.505 2.345 2.097 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.061 2.954 3.709 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.499 1.924 3.512 1.00 0.00 H new ATOM 252 N ILE A 20 5.738 1.829 6.862 1.00 0.00 N ATOM 253 CA ILE A 20 5.355 2.865 7.806 1.00 0.00 C ATOM 254 C ILE A 20 6.161 4.134 7.518 1.00 0.00 C ATOM 255 O ILE A 20 7.362 4.183 7.780 1.00 0.00 O ATOM 256 CB ILE A 20 5.496 2.360 9.243 1.00 0.00 C ATOM 257 CG1 ILE A 20 4.489 1.245 9.534 1.00 0.00 C ATOM 258 CG2 ILE A 20 5.381 3.512 10.243 1.00 0.00 C ATOM 259 CD1 ILE A 20 3.058 1.786 9.533 1.00 0.00 C ATOM 0 H ILE A 20 6.582 1.314 7.113 1.00 0.00 H new ATOM 0 HA ILE A 20 4.302 3.120 7.685 1.00 0.00 H new ATOM 0 HB ILE A 20 6.492 1.932 9.358 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.585 0.459 8.785 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.710 0.793 10.501 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.485 3.125 11.257 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.168 4.241 10.050 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.408 3.992 10.135 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.362 0.974 9.742 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.959 2.555 10.299 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.832 2.215 8.557 1.00 0.00 H new ATOM 271 N LEU A 21 5.467 5.128 6.984 1.00 0.00 N ATOM 272 CA LEU A 21 6.103 6.393 6.658 1.00 0.00 C ATOM 273 C LEU A 21 5.961 7.351 7.843 1.00 0.00 C ATOM 274 O LEU A 21 4.876 7.491 8.405 1.00 0.00 O ATOM 275 CB LEU A 21 5.547 6.951 5.347 1.00 0.00 C ATOM 276 CG LEU A 21 5.930 6.188 4.077 1.00 0.00 C ATOM 277 CD1 LEU A 21 7.255 5.445 4.263 1.00 0.00 C ATOM 278 CD2 LEU A 21 4.804 5.250 3.639 1.00 0.00 C ATOM 0 H LEU A 21 4.471 5.083 6.769 1.00 0.00 H new ATOM 0 HA LEU A 21 7.170 6.250 6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.460 6.976 5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.883 7.983 5.243 1.00 0.00 H new ATOM 0 HG LEU A 21 6.076 6.912 3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.504 4.911 3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.044 6.161 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.161 4.733 5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.103 4.720 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.602 4.529 4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.904 5.831 3.439 1.00 0.00 H new ATOM 290 N HIS A 22 7.072 7.985 8.188 1.00 0.00 N ATOM 291 CA HIS A 22 7.084 8.925 9.295 1.00 0.00 C ATOM 292 C HIS A 22 7.332 10.339 8.766 1.00 0.00 C ATOM 293 O HIS A 22 8.468 10.701 8.462 1.00 0.00 O ATOM 294 CB HIS A 22 8.103 8.502 10.356 1.00 0.00 C ATOM 295 CG HIS A 22 8.210 7.007 10.542 1.00 0.00 C ATOM 296 ND1 HIS A 22 7.585 6.335 11.578 1.00 0.00 N ATOM 297 CD2 HIS A 22 8.874 6.063 9.815 1.00 0.00 C ATOM 298 CE1 HIS A 22 7.868 5.045 11.470 1.00 0.00 C ATOM 299 NE2 HIS A 22 8.667 4.879 10.377 1.00 0.00 N ATOM 0 H HIS A 22 7.970 7.866 7.720 1.00 0.00 H new ATOM 0 HA HIS A 22 6.111 8.924 9.787 1.00 0.00 H new ATOM 0 HB2 HIS A 22 9.082 8.895 10.082 1.00 0.00 H new ATOM 0 HB3 HIS A 22 7.832 8.958 11.308 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.467 6.248 8.932 1.00 0.00 H new ATOM 0 HE1 HIS A 22 7.526 4.263 12.131 1.00 0.00 H new ATOM 0 HE2 HIS A 22 9.043 3.991 10.046 1.00 0.00 H new ATOM 307 N LYS A 23 6.251 11.099 8.671 1.00 0.00 N ATOM 308 CA LYS A 23 6.338 12.465 8.183 1.00 0.00 C ATOM 309 C LYS A 23 5.497 13.376 9.080 1.00 0.00 C ATOM 310 O LYS A 23 4.768 12.898 9.948 1.00 0.00 O ATOM 311 CB LYS A 23 5.951 12.531 6.704 1.00 0.00 C ATOM 312 CG LYS A 23 4.438 12.382 6.526 1.00 0.00 C ATOM 313 CD LYS A 23 4.083 10.990 5.999 1.00 0.00 C ATOM 314 CE LYS A 23 2.591 10.702 6.173 1.00 0.00 C ATOM 315 NZ LYS A 23 1.789 11.566 5.278 1.00 0.00 N ATOM 0 H LYS A 23 5.311 10.795 8.924 1.00 0.00 H new ATOM 0 HA LYS A 23 7.366 12.824 8.236 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.279 13.480 6.281 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.465 11.742 6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.937 12.553 7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.073 13.141 5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.351 10.917 4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.667 10.237 6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.389 9.654 5.953 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.300 10.872 7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.921 11.065 4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.537 12.443 5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.344 11.797 4.430 1.00 0.00 H new ATOM 329 N GLU A 24 5.627 14.673 8.840 1.00 0.00 N ATOM 330 CA GLU A 24 4.889 15.655 9.615 1.00 0.00 C ATOM 331 C GLU A 24 3.502 15.877 9.008 1.00 0.00 C ATOM 332 O GLU A 24 3.230 15.434 7.893 1.00 0.00 O ATOM 333 CB GLU A 24 5.662 16.971 9.712 1.00 0.00 C ATOM 334 CG GLU A 24 6.844 16.844 10.675 1.00 0.00 C ATOM 335 CD GLU A 24 7.208 18.201 11.280 1.00 0.00 C ATOM 336 OE1 GLU A 24 6.302 18.813 11.886 1.00 0.00 O ATOM 337 OE2 GLU A 24 8.383 18.597 11.121 1.00 0.00 O ATOM 0 H GLU A 24 6.233 15.066 8.120 1.00 0.00 H new ATOM 0 HA GLU A 24 4.764 15.270 10.627 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.023 17.259 8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.996 17.764 10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.595 16.142 11.471 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.705 16.435 10.147 1.00 0.00 H new ATOM 344 N GLU A 25 2.661 16.562 9.769 1.00 0.00 N ATOM 345 CA GLU A 25 1.309 16.849 9.319 1.00 0.00 C ATOM 346 C GLU A 25 1.340 17.573 7.972 1.00 0.00 C ATOM 347 O GLU A 25 1.698 18.748 7.903 1.00 0.00 O ATOM 348 CB GLU A 25 0.545 17.665 10.364 1.00 0.00 C ATOM 349 CG GLU A 25 -0.401 16.774 11.171 1.00 0.00 C ATOM 350 CD GLU A 25 -0.980 17.532 12.368 1.00 0.00 C ATOM 351 OE1 GLU A 25 -0.251 18.397 12.898 1.00 0.00 O ATOM 352 OE2 GLU A 25 -2.139 17.229 12.724 1.00 0.00 O ATOM 0 H GLU A 25 2.889 16.927 10.694 1.00 0.00 H new ATOM 0 HA GLU A 25 0.782 15.904 9.188 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.251 18.154 11.035 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.024 18.453 9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.211 16.424 10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.134 15.891 11.520 1.00 0.00 H new ATOM 359 N GLY A 26 0.959 16.843 6.935 1.00 0.00 N ATOM 360 CA GLY A 26 0.938 17.401 5.594 1.00 0.00 C ATOM 361 C GLY A 26 2.336 17.390 4.973 1.00 0.00 C ATOM 362 O GLY A 26 2.637 18.199 4.096 1.00 0.00 O ATOM 0 H GLY A 26 0.662 15.869 6.996 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.254 16.828 4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.559 18.422 5.627 1.00 0.00 H new ATOM 366 N ALA A 27 3.154 16.464 5.452 1.00 0.00 N ATOM 367 CA ALA A 27 4.514 16.337 4.956 1.00 0.00 C ATOM 368 C ALA A 27 4.503 15.531 3.655 1.00 0.00 C ATOM 369 O ALA A 27 5.315 15.774 2.764 1.00 0.00 O ATOM 370 CB ALA A 27 5.392 15.696 6.032 1.00 0.00 C ATOM 0 H ALA A 27 2.901 15.794 6.179 1.00 0.00 H new ATOM 0 HA ALA A 27 4.935 17.317 4.734 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.412 15.601 5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.388 16.321 6.925 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.002 14.709 6.279 1.00 0.00 H new ATOM 376 N GLY A 28 3.575 14.587 3.588 1.00 0.00 N ATOM 377 CA GLY A 28 3.449 13.744 2.412 1.00 0.00 C ATOM 378 C GLY A 28 4.233 12.441 2.584 1.00 0.00 C ATOM 379 O GLY A 28 5.094 12.342 3.457 1.00 0.00 O ATOM 0 H GLY A 28 2.903 14.388 4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.398 13.519 2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.814 14.279 1.536 1.00 0.00 H new ATOM 383 N LEU A 29 3.906 11.475 1.738 1.00 0.00 N ATOM 384 CA LEU A 29 4.569 10.183 1.786 1.00 0.00 C ATOM 385 C LEU A 29 5.853 10.243 0.958 1.00 0.00 C ATOM 386 O LEU A 29 6.910 9.805 1.411 1.00 0.00 O ATOM 387 CB LEU A 29 3.609 9.073 1.353 1.00 0.00 C ATOM 388 CG LEU A 29 2.134 9.288 1.699 1.00 0.00 C ATOM 389 CD1 LEU A 29 1.265 8.176 1.110 1.00 0.00 C ATOM 390 CD2 LEU A 29 1.940 9.427 3.211 1.00 0.00 C ATOM 0 H LEU A 29 3.191 11.561 1.016 1.00 0.00 H new ATOM 0 HA LEU A 29 4.860 9.941 2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.694 8.947 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.936 8.139 1.809 1.00 0.00 H new ATOM 0 HG LEU A 29 1.810 10.224 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.222 8.353 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.371 8.167 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.582 7.214 1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.883 9.579 3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.287 8.520 3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.512 10.281 3.574 1.00 0.00 H new ATOM 402 N GLY A 30 5.721 10.788 -0.242 1.00 0.00 N ATOM 403 CA GLY A 30 6.859 10.911 -1.138 1.00 0.00 C ATOM 404 C GLY A 30 6.561 10.266 -2.494 1.00 0.00 C ATOM 405 O GLY A 30 7.366 10.360 -3.419 1.00 0.00 O ATOM 0 H GLY A 30 4.843 11.150 -0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.104 11.964 -1.278 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.732 10.437 -0.690 1.00 0.00 H new ATOM 409 N PHE A 31 5.403 9.627 -2.567 1.00 0.00 N ATOM 410 CA PHE A 31 4.989 8.968 -3.794 1.00 0.00 C ATOM 411 C PHE A 31 3.541 9.318 -4.143 1.00 0.00 C ATOM 412 O PHE A 31 2.803 9.833 -3.304 1.00 0.00 O ATOM 413 CB PHE A 31 5.092 7.461 -3.549 1.00 0.00 C ATOM 414 CG PHE A 31 3.985 6.899 -2.655 1.00 0.00 C ATOM 415 CD1 PHE A 31 4.082 7.007 -1.303 1.00 0.00 C ATOM 416 CD2 PHE A 31 2.904 6.291 -3.213 1.00 0.00 C ATOM 417 CE1 PHE A 31 3.054 6.485 -0.473 1.00 0.00 C ATOM 418 CE2 PHE A 31 1.876 5.769 -2.383 1.00 0.00 C ATOM 419 CZ PHE A 31 1.973 5.877 -1.031 1.00 0.00 C ATOM 0 H PHE A 31 4.739 9.551 -1.797 1.00 0.00 H new ATOM 0 HA PHE A 31 5.622 9.290 -4.621 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.067 6.945 -4.509 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.058 7.242 -3.094 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.941 7.490 -0.860 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.827 6.205 -4.287 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.131 6.571 0.601 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.017 5.286 -2.826 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.191 5.480 -0.400 1.00 0.00 H new ATOM 429 N SER A 32 3.177 9.024 -5.383 1.00 0.00 N ATOM 430 CA SER A 32 1.831 9.301 -5.853 1.00 0.00 C ATOM 431 C SER A 32 1.132 7.995 -6.240 1.00 0.00 C ATOM 432 O SER A 32 1.778 6.956 -6.366 1.00 0.00 O ATOM 433 CB SER A 32 1.850 10.264 -7.041 1.00 0.00 C ATOM 434 OG SER A 32 2.691 11.389 -6.803 1.00 0.00 O ATOM 0 H SER A 32 3.791 8.597 -6.076 1.00 0.00 H new ATOM 0 HA SER A 32 1.277 9.776 -5.043 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.194 9.736 -7.930 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.836 10.607 -7.246 1.00 0.00 H new ATOM 0 HG SER A 32 3.629 11.105 -6.814 1.00 0.00 H new ATOM 440 N LEU A 33 -0.177 8.092 -6.417 1.00 0.00 N ATOM 441 CA LEU A 33 -0.970 6.932 -6.786 1.00 0.00 C ATOM 442 C LEU A 33 -1.122 6.887 -8.308 1.00 0.00 C ATOM 443 O LEU A 33 -0.954 7.901 -8.982 1.00 0.00 O ATOM 444 CB LEU A 33 -2.303 6.933 -6.035 1.00 0.00 C ATOM 445 CG LEU A 33 -2.213 6.988 -4.509 1.00 0.00 C ATOM 446 CD1 LEU A 33 -3.413 6.292 -3.863 1.00 0.00 C ATOM 447 CD2 LEU A 33 -0.884 6.412 -4.017 1.00 0.00 C ATOM 0 H LEU A 33 -0.709 8.956 -6.312 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.463 6.014 -6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.889 7.787 -6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.855 6.036 -6.314 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.244 8.034 -4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.324 6.346 -2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.332 6.786 -4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.438 5.248 -4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.846 6.463 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.798 5.373 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.060 6.989 -4.436 1.00 0.00 H new ATOM 459 N ALA A 34 -1.437 5.699 -8.804 1.00 0.00 N ATOM 460 CA ALA A 34 -1.612 5.508 -10.234 1.00 0.00 C ATOM 461 C ALA A 34 -2.675 4.434 -10.474 1.00 0.00 C ATOM 462 O ALA A 34 -2.853 3.538 -9.650 1.00 0.00 O ATOM 463 CB ALA A 34 -0.268 5.151 -10.871 1.00 0.00 C ATOM 0 H ALA A 34 -1.575 4.860 -8.241 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.960 6.428 -10.704 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.400 5.008 -11.943 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.443 5.959 -10.698 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.112 4.231 -10.426 1.00 0.00 H new ATOM 469 N GLY A 35 -3.352 4.559 -11.605 1.00 0.00 N ATOM 470 CA GLY A 35 -4.392 3.609 -11.964 1.00 0.00 C ATOM 471 C GLY A 35 -5.749 4.048 -11.410 1.00 0.00 C ATOM 472 O GLY A 35 -5.938 5.215 -11.072 1.00 0.00 O ATOM 0 H GLY A 35 -3.201 5.304 -12.286 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.449 3.520 -13.049 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.138 2.622 -11.576 1.00 0.00 H new ATOM 476 N GLY A 36 -6.660 3.088 -11.334 1.00 0.00 N ATOM 477 CA GLY A 36 -7.994 3.360 -10.827 1.00 0.00 C ATOM 478 C GLY A 36 -8.977 2.269 -11.256 1.00 0.00 C ATOM 479 O GLY A 36 -8.589 1.300 -11.907 1.00 0.00 O ATOM 0 H GLY A 36 -6.500 2.121 -11.615 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.967 3.423 -9.739 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.336 4.328 -11.194 1.00 0.00 H new ATOM 483 N ALA A 37 -10.231 2.464 -10.876 1.00 0.00 N ATOM 484 CA ALA A 37 -11.273 1.509 -11.214 1.00 0.00 C ATOM 485 C ALA A 37 -11.659 1.681 -12.684 1.00 0.00 C ATOM 486 O ALA A 37 -11.701 0.709 -13.436 1.00 0.00 O ATOM 487 CB ALA A 37 -12.464 1.698 -10.272 1.00 0.00 C ATOM 0 H ALA A 37 -10.549 3.269 -10.337 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.914 0.488 -11.085 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.246 0.982 -10.525 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.143 1.536 -9.243 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.853 2.711 -10.376 1.00 0.00 H new ATOM 493 N ASP A 38 -11.930 2.925 -13.050 1.00 0.00 N ATOM 494 CA ASP A 38 -12.311 3.237 -14.417 1.00 0.00 C ATOM 495 C ASP A 38 -11.085 3.114 -15.324 1.00 0.00 C ATOM 496 O ASP A 38 -11.219 2.891 -16.527 1.00 0.00 O ATOM 497 CB ASP A 38 -12.839 4.669 -14.529 1.00 0.00 C ATOM 498 CG ASP A 38 -13.438 5.033 -15.889 1.00 0.00 C ATOM 499 OD1 ASP A 38 -14.632 4.720 -16.085 1.00 0.00 O ATOM 500 OD2 ASP A 38 -12.688 5.616 -16.701 1.00 0.00 O ATOM 0 H ASP A 38 -11.893 3.729 -12.423 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.093 2.539 -14.716 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.598 4.821 -13.762 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.024 5.359 -14.312 1.00 0.00 H new ATOM 505 N LEU A 39 -9.919 3.263 -14.714 1.00 0.00 N ATOM 506 CA LEU A 39 -8.671 3.171 -15.452 1.00 0.00 C ATOM 507 C LEU A 39 -8.413 1.711 -15.830 1.00 0.00 C ATOM 508 O LEU A 39 -9.177 0.824 -15.452 1.00 0.00 O ATOM 509 CB LEU A 39 -7.530 3.810 -14.657 1.00 0.00 C ATOM 510 CG LEU A 39 -7.505 5.340 -14.633 1.00 0.00 C ATOM 511 CD1 LEU A 39 -8.750 5.898 -13.940 1.00 0.00 C ATOM 512 CD2 LEU A 39 -6.214 5.857 -13.995 1.00 0.00 C ATOM 0 H LEU A 39 -9.812 3.447 -13.716 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.737 3.735 -16.382 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.584 3.451 -13.629 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.584 3.457 -15.069 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.522 5.698 -15.662 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.707 6.987 -13.937 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.642 5.572 -14.475 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.789 5.533 -12.914 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.222 6.947 -13.990 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.142 5.490 -12.971 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.357 5.503 -14.568 1.00 0.00 H new ATOM 524 N GLU A 40 -7.335 1.506 -16.571 1.00 0.00 N ATOM 525 CA GLU A 40 -6.967 0.169 -17.004 1.00 0.00 C ATOM 526 C GLU A 40 -6.523 -0.674 -15.807 1.00 0.00 C ATOM 527 O GLU A 40 -6.860 -1.853 -15.714 1.00 0.00 O ATOM 528 CB GLU A 40 -5.874 0.220 -18.074 1.00 0.00 C ATOM 529 CG GLU A 40 -6.458 0.600 -19.436 1.00 0.00 C ATOM 530 CD GLU A 40 -6.659 -0.638 -20.311 1.00 0.00 C ATOM 531 OE1 GLU A 40 -7.339 -1.570 -19.828 1.00 0.00 O ATOM 532 OE2 GLU A 40 -6.130 -0.626 -21.444 1.00 0.00 O ATOM 0 H GLU A 40 -6.704 2.244 -16.883 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.844 -0.301 -17.449 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.112 0.944 -17.786 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.382 -0.750 -18.143 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.411 1.110 -19.297 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.791 1.301 -19.939 1.00 0.00 H new ATOM 539 N ASN A 41 -5.774 -0.036 -14.920 1.00 0.00 N ATOM 540 CA ASN A 41 -5.280 -0.712 -13.733 1.00 0.00 C ATOM 541 C ASN A 41 -6.316 -0.588 -12.613 1.00 0.00 C ATOM 542 O ASN A 41 -6.365 0.425 -11.918 1.00 0.00 O ATOM 543 CB ASN A 41 -3.976 -0.081 -13.242 1.00 0.00 C ATOM 544 CG ASN A 41 -2.848 -0.297 -14.252 1.00 0.00 C ATOM 545 OD1 ASN A 41 -2.734 -1.336 -14.883 1.00 0.00 O ATOM 546 ND2 ASN A 41 -2.022 0.738 -14.371 1.00 0.00 N ATOM 0 H ASN A 41 -5.497 0.942 -15.000 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.101 -1.756 -13.989 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.123 0.987 -13.079 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.697 -0.515 -12.282 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -1.237 0.692 -15.020 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.174 1.578 -13.813 1.00 0.00 H new ATOM 553 N LYS A 42 -7.117 -1.634 -12.474 1.00 0.00 N ATOM 554 CA LYS A 42 -8.149 -1.655 -11.451 1.00 0.00 C ATOM 555 C LYS A 42 -7.519 -1.347 -10.091 1.00 0.00 C ATOM 556 O LYS A 42 -8.047 -0.541 -9.326 1.00 0.00 O ATOM 557 CB LYS A 42 -8.914 -2.980 -11.488 1.00 0.00 C ATOM 558 CG LYS A 42 -9.776 -3.079 -12.749 1.00 0.00 C ATOM 559 CD LYS A 42 -11.024 -2.203 -12.629 1.00 0.00 C ATOM 560 CE LYS A 42 -12.091 -2.882 -11.768 1.00 0.00 C ATOM 561 NZ LYS A 42 -12.971 -3.728 -12.605 1.00 0.00 N ATOM 0 H LYS A 42 -7.072 -2.473 -13.052 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.891 -0.880 -11.643 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.210 -3.812 -11.458 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.545 -3.065 -10.604 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.193 -2.771 -13.617 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.069 -4.116 -12.913 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.757 -1.241 -12.191 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.427 -2.001 -13.621 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.614 -3.491 -11.000 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.685 -2.127 -11.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.689 -4.181 -12.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.440 -3.138 -13.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.402 -4.460 -13.077 1.00 0.00 H new ATOM 575 N VAL A 43 -6.399 -2.006 -9.831 1.00 0.00 N ATOM 576 CA VAL A 43 -5.691 -1.813 -8.576 1.00 0.00 C ATOM 577 C VAL A 43 -4.710 -0.648 -8.723 1.00 0.00 C ATOM 578 O VAL A 43 -3.860 -0.656 -9.612 1.00 0.00 O ATOM 579 CB VAL A 43 -5.012 -3.117 -8.153 1.00 0.00 C ATOM 580 CG1 VAL A 43 -4.033 -3.598 -9.225 1.00 0.00 C ATOM 581 CG2 VAL A 43 -4.311 -2.956 -6.802 1.00 0.00 C ATOM 0 H VAL A 43 -5.964 -2.674 -10.468 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.388 -1.552 -7.780 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.785 -3.877 -8.041 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.564 -4.526 -8.899 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.570 -3.771 -10.157 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.266 -2.840 -9.383 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.836 -3.897 -6.524 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.554 -2.175 -6.876 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.043 -2.681 -6.043 1.00 0.00 H new ATOM 591 N ILE A 44 -4.861 0.326 -7.838 1.00 0.00 N ATOM 592 CA ILE A 44 -3.999 1.496 -7.858 1.00 0.00 C ATOM 593 C ILE A 44 -2.548 1.058 -7.646 1.00 0.00 C ATOM 594 O ILE A 44 -2.291 0.034 -7.016 1.00 0.00 O ATOM 595 CB ILE A 44 -4.482 2.535 -6.845 1.00 0.00 C ATOM 596 CG1 ILE A 44 -5.646 3.352 -7.410 1.00 0.00 C ATOM 597 CG2 ILE A 44 -3.328 3.426 -6.380 1.00 0.00 C ATOM 598 CD1 ILE A 44 -6.927 2.518 -7.461 1.00 0.00 C ATOM 0 H ILE A 44 -5.567 0.329 -7.102 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.046 1.987 -8.830 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.855 2.008 -5.967 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.808 4.236 -6.793 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.396 3.703 -8.411 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.699 4.156 -5.660 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.560 2.811 -5.910 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.902 3.947 -7.238 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.739 3.122 -7.866 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.769 1.648 -8.098 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.187 2.189 -6.455 1.00 0.00 H new ATOM 610 N THR A 45 -1.638 1.856 -8.185 1.00 0.00 N ATOM 611 CA THR A 45 -0.220 1.564 -8.063 1.00 0.00 C ATOM 612 C THR A 45 0.566 2.846 -7.781 1.00 0.00 C ATOM 613 O THR A 45 0.010 3.943 -7.828 1.00 0.00 O ATOM 614 CB THR A 45 0.226 0.845 -9.337 1.00 0.00 C ATOM 615 OG1 THR A 45 -0.493 1.504 -10.377 1.00 0.00 O ATOM 616 CG2 THR A 45 -0.271 -0.601 -9.399 1.00 0.00 C ATOM 0 H THR A 45 -1.855 2.705 -8.707 1.00 0.00 H new ATOM 0 HA THR A 45 -0.023 0.907 -7.216 1.00 0.00 H new ATOM 0 HB THR A 45 1.314 0.857 -9.398 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.262 1.101 -11.240 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.074 -1.065 -10.323 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.119 -1.157 -8.546 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.361 -0.613 -9.372 1.00 0.00 H new ATOM 624 N VAL A 46 1.847 2.666 -7.496 1.00 0.00 N ATOM 625 CA VAL A 46 2.715 3.795 -7.206 1.00 0.00 C ATOM 626 C VAL A 46 3.080 4.500 -8.514 1.00 0.00 C ATOM 627 O VAL A 46 3.969 4.053 -9.238 1.00 0.00 O ATOM 628 CB VAL A 46 3.940 3.325 -6.419 1.00 0.00 C ATOM 629 CG1 VAL A 46 4.811 4.511 -6.000 1.00 0.00 C ATOM 630 CG2 VAL A 46 3.524 2.494 -5.203 1.00 0.00 C ATOM 0 H VAL A 46 2.305 1.755 -7.460 1.00 0.00 H new ATOM 0 HA VAL A 46 2.200 4.521 -6.577 1.00 0.00 H new ATOM 0 HB VAL A 46 4.535 2.688 -7.074 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.675 4.149 -5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.150 5.045 -6.888 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.230 5.185 -5.371 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.413 2.172 -4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.897 3.098 -4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.965 1.619 -5.534 1.00 0.00 H new ATOM 640 N HIS A 47 2.375 5.591 -8.778 1.00 0.00 N ATOM 641 CA HIS A 47 2.614 6.362 -9.986 1.00 0.00 C ATOM 642 C HIS A 47 4.088 6.767 -10.053 1.00 0.00 C ATOM 643 O HIS A 47 4.814 6.333 -10.945 1.00 0.00 O ATOM 644 CB HIS A 47 1.665 7.560 -10.062 1.00 0.00 C ATOM 645 CG HIS A 47 2.314 8.825 -10.570 1.00 0.00 C ATOM 646 ND1 HIS A 47 1.922 10.087 -10.157 1.00 0.00 N ATOM 647 CD2 HIS A 47 3.330 9.010 -11.461 1.00 0.00 C ATOM 648 CE1 HIS A 47 2.675 10.983 -10.778 1.00 0.00 C ATOM 649 NE2 HIS A 47 3.547 10.314 -11.586 1.00 0.00 N ATOM 0 H HIS A 47 1.638 5.959 -8.176 1.00 0.00 H new ATOM 0 HA HIS A 47 2.402 5.749 -10.862 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.828 7.307 -10.712 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.253 7.748 -9.070 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.867 8.228 -11.977 1.00 0.00 H new ATOM 0 HE1 HIS A 47 2.610 12.055 -10.664 1.00 0.00 H new ATOM 0 HE2 HIS A 47 4.250 10.744 -12.187 1.00 0.00 H new ATOM 657 N ARG A 48 4.485 7.595 -9.098 1.00 0.00 N ATOM 658 CA ARG A 48 5.859 8.064 -9.038 1.00 0.00 C ATOM 659 C ARG A 48 6.318 8.175 -7.583 1.00 0.00 C ATOM 660 O ARG A 48 5.527 8.506 -6.701 1.00 0.00 O ATOM 661 CB ARG A 48 6.006 9.427 -9.717 1.00 0.00 C ATOM 662 CG ARG A 48 7.480 9.782 -9.921 1.00 0.00 C ATOM 663 CD ARG A 48 8.030 10.552 -8.718 1.00 0.00 C ATOM 664 NE ARG A 48 9.507 10.461 -8.692 1.00 0.00 N ATOM 665 CZ ARG A 48 10.321 11.241 -9.416 1.00 0.00 C ATOM 666 NH1 ARG A 48 9.806 12.176 -10.227 1.00 0.00 N ATOM 667 NH2 ARG A 48 11.649 11.088 -9.328 1.00 0.00 N ATOM 0 H ARG A 48 3.879 7.953 -8.360 1.00 0.00 H new ATOM 0 HA ARG A 48 6.480 7.340 -9.565 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.495 9.415 -10.680 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.524 10.194 -9.110 1.00 0.00 H new ATOM 0 HG2 ARG A 48 8.060 8.871 -10.070 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.592 10.383 -10.824 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.723 11.596 -8.773 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.616 10.146 -7.795 1.00 0.00 H new ATOM 0 HE ARG A 48 9.932 9.760 -8.085 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.795 12.293 -10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 48 10.425 12.770 -10.778 1.00 0.00 H new ATOM 0 HH21 ARG A 48 12.041 10.378 -8.710 1.00 0.00 H new ATOM 0 HH22 ARG A 48 12.268 11.682 -9.879 1.00 0.00 H new ATOM 681 N VAL A 49 7.596 7.891 -7.376 1.00 0.00 N ATOM 682 CA VAL A 49 8.170 7.954 -6.042 1.00 0.00 C ATOM 683 C VAL A 49 9.177 9.105 -5.980 1.00 0.00 C ATOM 684 O VAL A 49 10.355 8.920 -6.279 1.00 0.00 O ATOM 685 CB VAL A 49 8.784 6.602 -5.672 1.00 0.00 C ATOM 686 CG1 VAL A 49 9.365 6.634 -4.257 1.00 0.00 C ATOM 687 CG2 VAL A 49 7.758 5.476 -5.819 1.00 0.00 C ATOM 0 H VAL A 49 8.250 7.617 -8.109 1.00 0.00 H new ATOM 0 HA VAL A 49 7.396 8.158 -5.302 1.00 0.00 H new ATOM 0 HB VAL A 49 9.601 6.403 -6.365 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.795 5.661 -4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.140 7.398 -4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.574 6.866 -3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.220 4.526 -5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.911 5.667 -5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.412 5.432 -6.852 1.00 0.00 H new ATOM 697 N PHE A 50 8.675 10.267 -5.589 1.00 0.00 N ATOM 698 CA PHE A 50 9.515 11.448 -5.483 1.00 0.00 C ATOM 699 C PHE A 50 10.899 11.088 -4.938 1.00 0.00 C ATOM 700 O PHE A 50 11.041 10.136 -4.173 1.00 0.00 O ATOM 701 CB PHE A 50 8.827 12.401 -4.505 1.00 0.00 C ATOM 702 CG PHE A 50 7.376 12.724 -4.868 1.00 0.00 C ATOM 703 CD1 PHE A 50 6.887 12.378 -6.089 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.575 13.357 -3.970 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.541 12.677 -6.426 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.228 13.657 -4.307 1.00 0.00 C ATOM 707 CZ PHE A 50 4.740 13.310 -5.528 1.00 0.00 C ATOM 0 H PHE A 50 7.697 10.416 -5.342 1.00 0.00 H new ATOM 0 HA PHE A 50 9.647 11.900 -6.466 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.852 11.962 -3.508 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.395 13.330 -4.459 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.523 11.875 -6.803 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.963 13.632 -3.000 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.153 12.402 -7.396 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.592 14.160 -3.594 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.716 13.537 -5.784 1.00 0.00 H new ATOM 717 N PRO A 51 11.911 11.891 -5.364 1.00 0.00 N ATOM 718 CA PRO A 51 13.278 11.667 -4.927 1.00 0.00 C ATOM 719 C PRO A 51 13.474 12.129 -3.481 1.00 0.00 C ATOM 720 O PRO A 51 14.387 11.669 -2.797 1.00 0.00 O ATOM 721 CB PRO A 51 14.139 12.435 -5.917 1.00 0.00 C ATOM 722 CG PRO A 51 13.210 13.433 -6.590 1.00 0.00 C ATOM 723 CD PRO A 51 11.781 13.028 -6.270 1.00 0.00 C ATOM 0 HA PRO A 51 13.549 10.611 -4.919 1.00 0.00 H new ATOM 0 HB2 PRO A 51 14.958 12.945 -5.409 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.587 11.763 -6.649 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.410 14.443 -6.231 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.373 13.439 -7.668 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.233 13.846 -5.802 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.236 12.754 -7.173 1.00 0.00 H new ATOM 731 N ASN A 52 12.602 13.033 -3.059 1.00 0.00 N ATOM 732 CA ASN A 52 12.668 13.562 -1.707 1.00 0.00 C ATOM 733 C ASN A 52 11.411 13.147 -0.940 1.00 0.00 C ATOM 734 O ASN A 52 10.445 13.906 -0.867 1.00 0.00 O ATOM 735 CB ASN A 52 12.733 15.091 -1.717 1.00 0.00 C ATOM 736 CG ASN A 52 13.932 15.583 -2.530 1.00 0.00 C ATOM 737 OD1 ASN A 52 15.041 15.090 -2.410 1.00 0.00 O ATOM 738 ND2 ASN A 52 13.647 16.582 -3.362 1.00 0.00 N ATOM 0 H ASN A 52 11.846 13.412 -3.629 1.00 0.00 H new ATOM 0 HA ASN A 52 13.566 13.166 -1.233 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.813 15.495 -2.139 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.805 15.462 -0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.379 16.982 -3.949 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.696 16.948 -3.413 1.00 0.00 H new ATOM 745 N GLY A 53 11.464 11.944 -0.388 1.00 0.00 N ATOM 746 CA GLY A 53 10.341 11.419 0.371 1.00 0.00 C ATOM 747 C GLY A 53 10.774 10.240 1.245 1.00 0.00 C ATOM 748 O GLY A 53 11.963 9.947 1.355 1.00 0.00 O ATOM 0 H GLY A 53 12.267 11.318 -0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.921 12.206 0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.553 11.100 -0.312 1.00 0.00 H new ATOM 752 N LEU A 54 9.784 9.595 1.844 1.00 0.00 N ATOM 753 CA LEU A 54 10.047 8.454 2.705 1.00 0.00 C ATOM 754 C LEU A 54 10.045 7.175 1.865 1.00 0.00 C ATOM 755 O LEU A 54 10.979 6.378 1.938 1.00 0.00 O ATOM 756 CB LEU A 54 9.059 8.424 3.873 1.00 0.00 C ATOM 757 CG LEU A 54 8.821 9.758 4.584 1.00 0.00 C ATOM 758 CD1 LEU A 54 7.662 9.650 5.577 1.00 0.00 C ATOM 759 CD2 LEU A 54 10.103 10.261 5.250 1.00 0.00 C ATOM 0 H LEU A 54 8.798 9.841 1.750 1.00 0.00 H new ATOM 0 HA LEU A 54 11.036 8.538 3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.102 8.056 3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.417 7.702 4.607 1.00 0.00 H new ATOM 0 HG LEU A 54 8.536 10.498 3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.514 10.611 6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.752 9.370 5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.893 8.892 6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.906 11.210 5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.443 9.530 5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.875 10.401 4.493 1.00 0.00 H new ATOM 771 N ALA A 55 8.984 7.019 1.086 1.00 0.00 N ATOM 772 CA ALA A 55 8.848 5.851 0.232 1.00 0.00 C ATOM 773 C ALA A 55 10.206 5.518 -0.390 1.00 0.00 C ATOM 774 O ALA A 55 10.695 4.398 -0.258 1.00 0.00 O ATOM 775 CB ALA A 55 7.771 6.112 -0.823 1.00 0.00 C ATOM 0 H ALA A 55 8.211 7.682 1.029 1.00 0.00 H new ATOM 0 HA ALA A 55 8.531 4.985 0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.669 5.236 -1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.820 6.314 -0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.056 6.973 -1.428 1.00 0.00 H new ATOM 781 N SER A 56 10.776 6.513 -1.055 1.00 0.00 N ATOM 782 CA SER A 56 12.067 6.340 -1.698 1.00 0.00 C ATOM 783 C SER A 56 13.094 5.835 -0.682 1.00 0.00 C ATOM 784 O SER A 56 13.905 4.964 -0.994 1.00 0.00 O ATOM 785 CB SER A 56 12.546 7.647 -2.333 1.00 0.00 C ATOM 786 OG SER A 56 13.963 7.682 -2.477 1.00 0.00 O ATOM 0 H SER A 56 10.367 7.441 -1.162 1.00 0.00 H new ATOM 0 HA SER A 56 11.957 5.601 -2.492 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.079 7.768 -3.311 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.223 8.488 -1.719 1.00 0.00 H new ATOM 0 HG SER A 56 14.229 8.531 -2.887 1.00 0.00 H new ATOM 792 N GLN A 57 13.026 6.404 0.512 1.00 0.00 N ATOM 793 CA GLN A 57 13.940 6.023 1.575 1.00 0.00 C ATOM 794 C GLN A 57 13.632 4.605 2.058 1.00 0.00 C ATOM 795 O GLN A 57 14.544 3.832 2.349 1.00 0.00 O ATOM 796 CB GLN A 57 13.880 7.021 2.734 1.00 0.00 C ATOM 797 CG GLN A 57 14.890 8.153 2.535 1.00 0.00 C ATOM 798 CD GLN A 57 15.693 8.403 3.814 1.00 0.00 C ATOM 799 OE1 GLN A 57 15.158 8.486 4.907 1.00 0.00 O ATOM 800 NE2 GLN A 57 17.003 8.518 3.616 1.00 0.00 N ATOM 0 H GLN A 57 12.352 7.126 0.767 1.00 0.00 H new ATOM 0 HA GLN A 57 14.955 6.038 1.177 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.875 7.435 2.811 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.085 6.506 3.673 1.00 0.00 H new ATOM 0 HG2 GLN A 57 15.568 7.901 1.719 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.367 9.065 2.245 1.00 0.00 H new ATOM 0 HE21 GLN A 57 17.385 8.438 2.674 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.625 8.686 4.406 1.00 0.00 H new ATOM 809 N GLU A 58 12.343 4.304 2.127 1.00 0.00 N ATOM 810 CA GLU A 58 11.903 2.992 2.568 1.00 0.00 C ATOM 811 C GLU A 58 12.480 1.905 1.660 1.00 0.00 C ATOM 812 O GLU A 58 13.175 1.004 2.127 1.00 0.00 O ATOM 813 CB GLU A 58 10.376 2.913 2.616 1.00 0.00 C ATOM 814 CG GLU A 58 9.914 1.749 3.495 1.00 0.00 C ATOM 815 CD GLU A 58 10.441 1.897 4.923 1.00 0.00 C ATOM 816 OE1 GLU A 58 10.498 3.056 5.389 1.00 0.00 O ATOM 817 OE2 GLU A 58 10.774 0.849 5.517 1.00 0.00 O ATOM 0 H GLU A 58 11.589 4.947 1.885 1.00 0.00 H new ATOM 0 HA GLU A 58 12.274 2.827 3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.972 3.848 3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.983 2.790 1.607 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.825 1.709 3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.263 0.808 3.071 1.00 0.00 H new ATOM 824 N GLY A 59 12.171 2.025 0.377 1.00 0.00 N ATOM 825 CA GLY A 59 12.651 1.064 -0.602 1.00 0.00 C ATOM 826 C GLY A 59 11.590 0.000 -0.890 1.00 0.00 C ATOM 827 O GLY A 59 11.833 -0.934 -1.653 1.00 0.00 O ATOM 0 H GLY A 59 11.594 2.773 -0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.914 1.580 -1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.559 0.587 -0.234 1.00 0.00 H new ATOM 831 N THR A 60 10.436 0.176 -0.264 1.00 0.00 N ATOM 832 CA THR A 60 9.337 -0.758 -0.444 1.00 0.00 C ATOM 833 C THR A 60 8.382 -0.255 -1.529 1.00 0.00 C ATOM 834 O THR A 60 8.019 -1.003 -2.436 1.00 0.00 O ATOM 835 CB THR A 60 8.661 -0.960 0.914 1.00 0.00 C ATOM 836 OG1 THR A 60 9.442 -1.972 1.543 1.00 0.00 O ATOM 837 CG2 THR A 60 7.271 -1.586 0.789 1.00 0.00 C ATOM 0 H THR A 60 10.238 0.951 0.368 1.00 0.00 H new ATOM 0 HA THR A 60 9.694 -1.727 -0.793 1.00 0.00 H new ATOM 0 HB THR A 60 8.582 -0.001 1.426 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.074 -2.164 2.431 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.836 -1.707 1.781 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.632 -0.937 0.190 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.353 -2.560 0.307 1.00 0.00 H new ATOM 845 N ILE A 61 8.003 1.008 -1.400 1.00 0.00 N ATOM 846 CA ILE A 61 7.098 1.619 -2.358 1.00 0.00 C ATOM 847 C ILE A 61 7.902 2.144 -3.549 1.00 0.00 C ATOM 848 O ILE A 61 8.409 3.264 -3.515 1.00 0.00 O ATOM 849 CB ILE A 61 6.238 2.686 -1.678 1.00 0.00 C ATOM 850 CG1 ILE A 61 5.762 2.212 -0.303 1.00 0.00 C ATOM 851 CG2 ILE A 61 5.072 3.105 -2.576 1.00 0.00 C ATOM 852 CD1 ILE A 61 4.985 3.315 0.418 1.00 0.00 C ATOM 0 H ILE A 61 8.306 1.625 -0.646 1.00 0.00 H new ATOM 0 HA ILE A 61 6.398 0.879 -2.746 1.00 0.00 H new ATOM 0 HB ILE A 61 6.854 3.571 -1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.130 1.331 -0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.620 1.913 0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.477 3.864 -2.069 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.460 3.512 -3.510 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.448 2.238 -2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.658 2.952 1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.628 4.185 0.552 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.115 3.595 -0.176 1.00 0.00 H new ATOM 864 N GLN A 62 7.992 1.311 -4.575 1.00 0.00 N ATOM 865 CA GLN A 62 8.725 1.677 -5.775 1.00 0.00 C ATOM 866 C GLN A 62 7.762 1.869 -6.948 1.00 0.00 C ATOM 867 O GLN A 62 6.952 0.990 -7.241 1.00 0.00 O ATOM 868 CB GLN A 62 9.792 0.632 -6.106 1.00 0.00 C ATOM 869 CG GLN A 62 10.945 0.688 -5.103 1.00 0.00 C ATOM 870 CD GLN A 62 11.809 -0.572 -5.188 1.00 0.00 C ATOM 871 OE1 GLN A 62 12.599 -0.754 -6.100 1.00 0.00 O ATOM 872 NE2 GLN A 62 11.614 -1.430 -4.191 1.00 0.00 N ATOM 0 H GLN A 62 7.569 0.383 -4.600 1.00 0.00 H new ATOM 0 HA GLN A 62 9.235 2.623 -5.591 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.346 -0.363 -6.098 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.173 0.803 -7.113 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.559 1.568 -5.298 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.548 0.794 -4.093 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.937 -1.216 -3.459 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.142 -2.302 -4.158 1.00 0.00 H new ATOM 881 N LYS A 63 7.881 3.023 -7.588 1.00 0.00 N ATOM 882 CA LYS A 63 7.031 3.340 -8.723 1.00 0.00 C ATOM 883 C LYS A 63 6.931 2.118 -9.638 1.00 0.00 C ATOM 884 O LYS A 63 7.905 1.746 -10.291 1.00 0.00 O ATOM 885 CB LYS A 63 7.532 4.600 -9.432 1.00 0.00 C ATOM 886 CG LYS A 63 7.224 4.546 -10.930 1.00 0.00 C ATOM 887 CD LYS A 63 7.799 5.765 -11.653 1.00 0.00 C ATOM 888 CE LYS A 63 9.190 5.463 -12.215 1.00 0.00 C ATOM 889 NZ LYS A 63 9.099 5.078 -13.641 1.00 0.00 N ATOM 0 H LYS A 63 8.553 3.750 -7.342 1.00 0.00 H new ATOM 0 HA LYS A 63 6.020 3.571 -8.388 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.063 5.480 -8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.607 4.703 -9.282 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.642 3.635 -11.358 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.145 4.504 -11.082 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.132 6.060 -12.463 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.856 6.608 -10.964 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.830 6.339 -12.109 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.653 4.659 -11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.051 4.876 -14.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.505 4.229 -13.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.677 5.857 -14.185 1.00 0.00 H new ATOM 903 N GLY A 64 5.745 1.527 -9.656 1.00 0.00 N ATOM 904 CA GLY A 64 5.506 0.355 -10.480 1.00 0.00 C ATOM 905 C GLY A 64 4.948 -0.799 -9.644 1.00 0.00 C ATOM 906 O GLY A 64 4.483 -1.798 -10.190 1.00 0.00 O ATOM 0 H GLY A 64 4.940 1.838 -9.113 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.805 0.603 -11.277 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.436 0.046 -10.958 1.00 0.00 H new ATOM 910 N ASN A 65 5.013 -0.622 -8.332 1.00 0.00 N ATOM 911 CA ASN A 65 4.520 -1.635 -7.415 1.00 0.00 C ATOM 912 C ASN A 65 2.991 -1.606 -7.403 1.00 0.00 C ATOM 913 O ASN A 65 2.377 -0.777 -8.073 1.00 0.00 O ATOM 914 CB ASN A 65 5.010 -1.373 -5.989 1.00 0.00 C ATOM 915 CG ASN A 65 6.493 -1.722 -5.846 1.00 0.00 C ATOM 916 OD1 ASN A 65 7.320 -0.897 -5.494 1.00 0.00 O ATOM 917 ND2 ASN A 65 6.782 -2.987 -6.137 1.00 0.00 N ATOM 0 H ASN A 65 5.400 0.208 -7.883 1.00 0.00 H new ATOM 0 HA ASN A 65 4.891 -2.603 -7.751 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.853 -0.325 -5.734 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.424 -1.964 -5.285 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.744 -3.318 -6.072 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.041 -3.626 -6.426 1.00 0.00 H new ATOM 924 N GLU A 66 2.419 -2.520 -6.633 1.00 0.00 N ATOM 925 CA GLU A 66 0.973 -2.609 -6.524 1.00 0.00 C ATOM 926 C GLU A 66 0.514 -2.135 -5.143 1.00 0.00 C ATOM 927 O GLU A 66 0.970 -2.650 -4.124 1.00 0.00 O ATOM 928 CB GLU A 66 0.489 -4.033 -6.804 1.00 0.00 C ATOM 929 CG GLU A 66 -0.901 -4.266 -6.209 1.00 0.00 C ATOM 930 CD GLU A 66 -1.698 -5.265 -7.052 1.00 0.00 C ATOM 931 OE1 GLU A 66 -1.044 -6.115 -7.693 1.00 0.00 O ATOM 932 OE2 GLU A 66 -2.943 -5.154 -7.035 1.00 0.00 O ATOM 0 H GLU A 66 2.931 -3.206 -6.078 1.00 0.00 H new ATOM 0 HA GLU A 66 0.531 -1.956 -7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.462 -4.207 -7.880 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.194 -4.750 -6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.806 -4.639 -5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.440 -3.320 -6.153 1.00 0.00 H new ATOM 939 N VAL A 67 -0.382 -1.160 -5.155 1.00 0.00 N ATOM 940 CA VAL A 67 -0.908 -0.611 -3.917 1.00 0.00 C ATOM 941 C VAL A 67 -2.222 -1.314 -3.570 1.00 0.00 C ATOM 942 O VAL A 67 -3.164 -1.302 -4.361 1.00 0.00 O ATOM 943 CB VAL A 67 -1.055 0.907 -4.038 1.00 0.00 C ATOM 944 CG1 VAL A 67 -1.554 1.516 -2.726 1.00 0.00 C ATOM 945 CG2 VAL A 67 0.261 1.552 -4.476 1.00 0.00 C ATOM 0 H VAL A 67 -0.758 -0.736 -6.003 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.216 -0.792 -3.095 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.800 1.111 -4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.650 2.596 -2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.525 1.090 -2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.843 1.296 -1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.129 2.631 -4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.036 1.334 -3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.558 1.151 -5.445 1.00 0.00 H new ATOM 955 N LEU A 68 -2.243 -1.909 -2.386 1.00 0.00 N ATOM 956 CA LEU A 68 -3.426 -2.615 -1.925 1.00 0.00 C ATOM 957 C LEU A 68 -4.319 -1.650 -1.142 1.00 0.00 C ATOM 958 O LEU A 68 -5.516 -1.551 -1.408 1.00 0.00 O ATOM 959 CB LEU A 68 -3.031 -3.864 -1.135 1.00 0.00 C ATOM 960 CG LEU A 68 -1.876 -4.685 -1.713 1.00 0.00 C ATOM 961 CD1 LEU A 68 -1.172 -5.488 -0.617 1.00 0.00 C ATOM 962 CD2 LEU A 68 -2.357 -5.578 -2.858 1.00 0.00 C ATOM 0 H LEU A 68 -1.460 -1.917 -1.733 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.010 -2.973 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.764 -3.560 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.905 -4.510 -1.054 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.142 -3.995 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.355 -6.062 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.774 -4.806 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.884 -6.168 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.517 -6.150 -3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.121 -6.262 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.776 -4.959 -3.651 1.00 0.00 H new ATOM 974 N SER A 69 -3.702 -0.962 -0.193 1.00 0.00 N ATOM 975 CA SER A 69 -4.425 -0.008 0.630 1.00 0.00 C ATOM 976 C SER A 69 -3.477 1.093 1.111 1.00 0.00 C ATOM 977 O SER A 69 -2.258 0.938 1.048 1.00 0.00 O ATOM 978 CB SER A 69 -5.085 -0.699 1.824 1.00 0.00 C ATOM 979 OG SER A 69 -4.170 -0.898 2.899 1.00 0.00 O ATOM 0 H SER A 69 -2.709 -1.046 0.024 1.00 0.00 H new ATOM 0 HA SER A 69 -5.212 0.439 0.023 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.926 -0.099 2.171 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.488 -1.661 1.508 1.00 0.00 H new ATOM 0 HG SER A 69 -4.630 -1.340 3.643 1.00 0.00 H new ATOM 985 N ILE A 70 -4.073 2.179 1.582 1.00 0.00 N ATOM 986 CA ILE A 70 -3.297 3.304 2.074 1.00 0.00 C ATOM 987 C ILE A 70 -3.945 3.847 3.348 1.00 0.00 C ATOM 988 O ILE A 70 -5.106 4.255 3.333 1.00 0.00 O ATOM 989 CB ILE A 70 -3.123 4.356 0.976 1.00 0.00 C ATOM 990 CG1 ILE A 70 -2.212 3.839 -0.139 1.00 0.00 C ATOM 991 CG2 ILE A 70 -2.622 5.679 1.558 1.00 0.00 C ATOM 992 CD1 ILE A 70 -2.302 4.732 -1.379 1.00 0.00 C ATOM 0 H ILE A 70 -5.084 2.303 1.633 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.289 2.984 2.340 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.099 4.549 0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.182 3.805 0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.494 2.819 -0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.507 6.409 0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.341 6.051 2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.660 5.521 2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.645 4.342 -2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.329 4.745 -1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.996 5.746 -1.120 1.00 0.00 H new ATOM 1004 N ASN A 71 -3.168 3.836 4.421 1.00 0.00 N ATOM 1005 CA ASN A 71 -3.652 4.322 5.702 1.00 0.00 C ATOM 1006 C ASN A 71 -4.727 3.370 6.231 1.00 0.00 C ATOM 1007 O ASN A 71 -5.397 3.671 7.218 1.00 0.00 O ATOM 1008 CB ASN A 71 -4.279 5.711 5.562 1.00 0.00 C ATOM 1009 CG ASN A 71 -3.998 6.565 6.800 1.00 0.00 C ATOM 1010 OD1 ASN A 71 -4.838 6.742 7.668 1.00 0.00 O ATOM 1011 ND2 ASN A 71 -2.774 7.085 6.833 1.00 0.00 N ATOM 0 H ASN A 71 -2.206 3.498 4.430 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.804 4.375 6.385 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.881 6.206 4.676 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.355 5.616 5.418 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.490 7.671 7.618 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.119 6.897 6.074 1.00 0.00 H new ATOM 1018 N GLY A 72 -4.858 2.240 5.551 1.00 0.00 N ATOM 1019 CA GLY A 72 -5.840 1.242 5.940 1.00 0.00 C ATOM 1020 C GLY A 72 -7.060 1.284 5.018 1.00 0.00 C ATOM 1021 O GLY A 72 -7.982 0.484 5.165 1.00 0.00 O ATOM 0 H GLY A 72 -4.300 1.994 4.733 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.389 0.250 5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.152 1.416 6.970 1.00 0.00 H new ATOM 1025 N LYS A 73 -7.025 2.226 4.087 1.00 0.00 N ATOM 1026 CA LYS A 73 -8.117 2.384 3.140 1.00 0.00 C ATOM 1027 C LYS A 73 -7.935 1.393 1.989 1.00 0.00 C ATOM 1028 O LYS A 73 -7.017 1.534 1.183 1.00 0.00 O ATOM 1029 CB LYS A 73 -8.227 3.841 2.686 1.00 0.00 C ATOM 1030 CG LYS A 73 -9.149 4.636 3.613 1.00 0.00 C ATOM 1031 CD LYS A 73 -9.678 5.890 2.915 1.00 0.00 C ATOM 1032 CE LYS A 73 -10.001 6.988 3.931 1.00 0.00 C ATOM 1033 NZ LYS A 73 -11.035 6.525 4.883 1.00 0.00 N ATOM 0 H LYS A 73 -6.258 2.888 3.968 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.070 2.150 3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.237 4.297 2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.609 3.880 1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.984 4.010 3.926 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.607 4.919 4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.937 6.254 2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.573 5.643 2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.098 7.267 4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.350 7.881 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.353 7.325 5.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.844 6.138 4.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.636 5.786 5.496 1.00 0.00 H new ATOM 1047 N SER A 74 -8.824 0.411 1.949 1.00 0.00 N ATOM 1048 CA SER A 74 -8.773 -0.603 0.910 1.00 0.00 C ATOM 1049 C SER A 74 -9.429 -0.076 -0.368 1.00 0.00 C ATOM 1050 O SER A 74 -10.476 0.568 -0.313 1.00 0.00 O ATOM 1051 CB SER A 74 -9.458 -1.893 1.365 1.00 0.00 C ATOM 1052 OG SER A 74 -9.289 -2.123 2.761 1.00 0.00 O ATOM 0 H SER A 74 -9.584 0.296 2.620 1.00 0.00 H new ATOM 0 HA SER A 74 -7.727 -0.832 0.706 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.522 -1.840 1.132 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.051 -2.736 0.807 1.00 0.00 H new ATOM 0 HG SER A 74 -9.742 -2.955 3.013 1.00 0.00 H new ATOM 1058 N LEU A 75 -8.787 -0.370 -1.489 1.00 0.00 N ATOM 1059 CA LEU A 75 -9.295 0.066 -2.779 1.00 0.00 C ATOM 1060 C LEU A 75 -10.417 -0.873 -3.224 1.00 0.00 C ATOM 1061 O LEU A 75 -10.155 -1.940 -3.778 1.00 0.00 O ATOM 1062 CB LEU A 75 -8.154 0.185 -3.792 1.00 0.00 C ATOM 1063 CG LEU A 75 -6.841 0.760 -3.258 1.00 0.00 C ATOM 1064 CD1 LEU A 75 -5.700 0.537 -4.253 1.00 0.00 C ATOM 1065 CD2 LEU A 75 -6.998 2.237 -2.889 1.00 0.00 C ATOM 0 H LEU A 75 -7.919 -0.905 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.726 1.064 -2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.954 -0.805 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.492 0.810 -4.618 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.581 0.226 -2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.778 0.955 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.570 -0.532 -4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.939 1.028 -5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.050 2.621 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.293 2.803 -3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.763 2.340 -2.119 1.00 0.00 H new ATOM 1077 N LYS A 76 -11.643 -0.443 -2.966 1.00 0.00 N ATOM 1078 CA LYS A 76 -12.807 -1.232 -3.334 1.00 0.00 C ATOM 1079 C LYS A 76 -13.218 -0.890 -4.767 1.00 0.00 C ATOM 1080 O LYS A 76 -14.310 -1.247 -5.205 1.00 0.00 O ATOM 1081 CB LYS A 76 -13.928 -1.043 -2.310 1.00 0.00 C ATOM 1082 CG LYS A 76 -14.239 0.441 -2.106 1.00 0.00 C ATOM 1083 CD LYS A 76 -13.564 0.974 -0.841 1.00 0.00 C ATOM 1084 CE LYS A 76 -14.604 1.392 0.201 1.00 0.00 C ATOM 1085 NZ LYS A 76 -13.943 1.783 1.466 1.00 0.00 N ATOM 0 H LYS A 76 -11.856 0.442 -2.506 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.567 -2.295 -3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -14.825 -1.563 -2.647 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.637 -1.491 -1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.899 1.010 -2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.317 0.584 -2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.912 0.208 -0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.933 1.827 -1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.195 2.225 -0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.295 0.569 0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.663 2.064 2.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.399 0.978 1.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.302 2.583 1.290 1.00 0.00 H new ATOM 1099 N GLY A 77 -12.321 -0.201 -5.458 1.00 0.00 N ATOM 1100 CA GLY A 77 -12.577 0.193 -6.833 1.00 0.00 C ATOM 1101 C GLY A 77 -12.607 1.717 -6.969 1.00 0.00 C ATOM 1102 O GLY A 77 -13.261 2.251 -7.864 1.00 0.00 O ATOM 0 H GLY A 77 -11.416 0.094 -5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.805 -0.219 -7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.528 -0.224 -7.164 1.00 0.00 H new ATOM 1106 N THR A 78 -11.891 2.374 -6.069 1.00 0.00 N ATOM 1107 CA THR A 78 -11.827 3.825 -6.078 1.00 0.00 C ATOM 1108 C THR A 78 -11.278 4.327 -7.415 1.00 0.00 C ATOM 1109 O THR A 78 -10.382 3.713 -7.992 1.00 0.00 O ATOM 1110 CB THR A 78 -10.993 4.269 -4.874 1.00 0.00 C ATOM 1111 OG1 THR A 78 -11.015 3.143 -4.002 1.00 0.00 O ATOM 1112 CG2 THR A 78 -11.673 5.378 -4.068 1.00 0.00 C ATOM 0 H THR A 78 -11.350 1.928 -5.328 1.00 0.00 H new ATOM 0 HA THR A 78 -12.820 4.265 -5.984 1.00 0.00 H new ATOM 0 HB THR A 78 -10.017 4.615 -5.216 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.180 2.639 -4.097 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.040 5.656 -3.226 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.830 6.247 -4.706 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.634 5.021 -3.697 1.00 0.00 H new ATOM 1120 N THR A 79 -11.839 5.438 -7.869 1.00 0.00 N ATOM 1121 CA THR A 79 -11.418 6.029 -9.127 1.00 0.00 C ATOM 1122 C THR A 79 -10.072 6.737 -8.960 1.00 0.00 C ATOM 1123 O THR A 79 -9.523 6.782 -7.860 1.00 0.00 O ATOM 1124 CB THR A 79 -12.535 6.955 -9.613 1.00 0.00 C ATOM 1125 OG1 THR A 79 -12.859 7.738 -8.467 1.00 0.00 O ATOM 1126 CG2 THR A 79 -13.828 6.199 -9.925 1.00 0.00 C ATOM 0 H THR A 79 -12.582 5.944 -7.388 1.00 0.00 H new ATOM 0 HA THR A 79 -11.256 5.265 -9.887 1.00 0.00 H new ATOM 0 HB THR A 79 -12.203 7.489 -10.503 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.690 7.405 -8.068 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.588 6.903 -10.266 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.639 5.462 -10.706 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.179 5.693 -9.026 1.00 0.00 H new ATOM 1134 N HIS A 80 -9.580 7.273 -10.067 1.00 0.00 N ATOM 1135 CA HIS A 80 -8.308 7.977 -10.056 1.00 0.00 C ATOM 1136 C HIS A 80 -8.381 9.154 -9.082 1.00 0.00 C ATOM 1137 O HIS A 80 -7.442 9.398 -8.326 1.00 0.00 O ATOM 1138 CB HIS A 80 -7.911 8.402 -11.471 1.00 0.00 C ATOM 1139 CG HIS A 80 -6.436 8.680 -11.638 1.00 0.00 C ATOM 1140 ND1 HIS A 80 -5.465 7.714 -11.441 1.00 0.00 N ATOM 1141 CD2 HIS A 80 -5.778 9.823 -11.985 1.00 0.00 C ATOM 1142 CE1 HIS A 80 -4.279 8.262 -11.662 1.00 0.00 C ATOM 1143 NE2 HIS A 80 -4.475 9.569 -11.998 1.00 0.00 N ATOM 0 H HIS A 80 -10.039 7.234 -10.977 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.521 7.309 -9.705 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -8.204 7.619 -12.170 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.472 9.297 -11.741 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.634 6.745 -11.171 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.239 10.773 -12.211 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.325 7.761 -11.589 1.00 0.00 H new ATOM 1151 N HIS A 81 -9.506 9.852 -9.131 1.00 0.00 N ATOM 1152 CA HIS A 81 -9.714 10.998 -8.262 1.00 0.00 C ATOM 1153 C HIS A 81 -9.979 10.518 -6.834 1.00 0.00 C ATOM 1154 O HIS A 81 -9.201 10.804 -5.924 1.00 0.00 O ATOM 1155 CB HIS A 81 -10.831 11.894 -8.802 1.00 0.00 C ATOM 1156 CG HIS A 81 -11.317 12.931 -7.817 1.00 0.00 C ATOM 1157 ND1 HIS A 81 -12.490 13.643 -7.996 1.00 0.00 N ATOM 1158 CD2 HIS A 81 -10.777 13.367 -6.643 1.00 0.00 C ATOM 1159 CE1 HIS A 81 -12.639 14.468 -6.970 1.00 0.00 C ATOM 1160 NE2 HIS A 81 -11.577 14.296 -6.133 1.00 0.00 N ATOM 0 H HIS A 81 -10.283 9.646 -9.759 1.00 0.00 H new ATOM 0 HA HIS A 81 -8.813 11.611 -8.241 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.475 12.399 -9.700 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.672 11.269 -9.100 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -9.855 13.016 -6.203 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -13.458 15.156 -6.823 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -11.422 14.798 -5.259 1.00 0.00 H new ATOM 1168 N ASP A 82 -11.078 9.795 -6.680 1.00 0.00 N ATOM 1169 CA ASP A 82 -11.455 9.271 -5.378 1.00 0.00 C ATOM 1170 C ASP A 82 -10.218 8.692 -4.689 1.00 0.00 C ATOM 1171 O ASP A 82 -10.147 8.654 -3.462 1.00 0.00 O ATOM 1172 CB ASP A 82 -12.489 8.152 -5.512 1.00 0.00 C ATOM 1173 CG ASP A 82 -13.919 8.622 -5.785 1.00 0.00 C ATOM 1174 OD1 ASP A 82 -14.227 9.766 -5.384 1.00 0.00 O ATOM 1175 OD2 ASP A 82 -14.673 7.827 -6.387 1.00 0.00 O ATOM 0 H ASP A 82 -11.721 9.559 -7.436 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.882 10.088 -4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.181 7.488 -6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.485 7.563 -4.595 1.00 0.00 H new ATOM 1180 N ALA A 83 -9.273 8.255 -5.509 1.00 0.00 N ATOM 1181 CA ALA A 83 -8.042 7.680 -4.994 1.00 0.00 C ATOM 1182 C ALA A 83 -7.071 8.805 -4.630 1.00 0.00 C ATOM 1183 O ALA A 83 -6.638 8.910 -3.484 1.00 0.00 O ATOM 1184 CB ALA A 83 -7.457 6.716 -6.028 1.00 0.00 C ATOM 0 H ALA A 83 -9.335 8.288 -6.527 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.236 7.107 -4.087 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.534 6.285 -5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.173 5.919 -6.229 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.247 7.256 -6.951 1.00 0.00 H new ATOM 1190 N LEU A 84 -6.757 9.618 -5.629 1.00 0.00 N ATOM 1191 CA LEU A 84 -5.845 10.731 -5.429 1.00 0.00 C ATOM 1192 C LEU A 84 -6.193 11.441 -4.119 1.00 0.00 C ATOM 1193 O LEU A 84 -5.314 11.711 -3.303 1.00 0.00 O ATOM 1194 CB LEU A 84 -5.851 11.654 -6.649 1.00 0.00 C ATOM 1195 CG LEU A 84 -5.047 11.172 -7.858 1.00 0.00 C ATOM 1196 CD1 LEU A 84 -4.540 9.744 -7.646 1.00 0.00 C ATOM 1197 CD2 LEU A 84 -5.861 11.306 -9.147 1.00 0.00 C ATOM 0 H LEU A 84 -7.118 9.528 -6.579 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.820 10.372 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.884 11.804 -6.961 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.465 12.627 -6.346 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.171 11.812 -7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.972 9.426 -8.520 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.899 9.713 -6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.388 9.075 -7.501 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.266 10.957 -9.991 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.768 10.706 -9.069 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.130 12.351 -9.301 1.00 0.00 H new ATOM 1209 N ALA A 85 -7.478 11.723 -3.959 1.00 0.00 N ATOM 1210 CA ALA A 85 -7.953 12.396 -2.762 1.00 0.00 C ATOM 1211 C ALA A 85 -7.550 11.582 -1.531 1.00 0.00 C ATOM 1212 O ALA A 85 -6.879 12.095 -0.637 1.00 0.00 O ATOM 1213 CB ALA A 85 -9.467 12.599 -2.858 1.00 0.00 C ATOM 0 H ALA A 85 -8.205 11.498 -4.638 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.497 13.382 -2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.824 13.104 -1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.698 13.207 -3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.959 11.631 -2.950 1.00 0.00 H new ATOM 1219 N ILE A 86 -7.978 10.328 -1.524 1.00 0.00 N ATOM 1220 CA ILE A 86 -7.670 9.439 -0.417 1.00 0.00 C ATOM 1221 C ILE A 86 -6.191 9.579 -0.052 1.00 0.00 C ATOM 1222 O ILE A 86 -5.847 9.715 1.122 1.00 0.00 O ATOM 1223 CB ILE A 86 -8.088 8.005 -0.749 1.00 0.00 C ATOM 1224 CG1 ILE A 86 -9.405 7.644 -0.057 1.00 0.00 C ATOM 1225 CG2 ILE A 86 -6.972 7.016 -0.409 1.00 0.00 C ATOM 1226 CD1 ILE A 86 -10.591 7.830 -1.005 1.00 0.00 C ATOM 0 H ILE A 86 -8.535 9.907 -2.267 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.245 9.718 0.466 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.260 7.939 -1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.368 6.610 0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.539 8.269 0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.295 6.004 -0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.080 7.262 -0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.745 7.076 0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.514 7.567 -0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.639 8.870 -1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.466 7.186 -1.875 1.00 0.00 H new ATOM 1238 N LEU A 87 -5.355 9.542 -1.079 1.00 0.00 N ATOM 1239 CA LEU A 87 -3.920 9.663 -0.881 1.00 0.00 C ATOM 1240 C LEU A 87 -3.610 11.020 -0.245 1.00 0.00 C ATOM 1241 O LEU A 87 -2.683 11.138 0.554 1.00 0.00 O ATOM 1242 CB LEU A 87 -3.175 9.414 -2.193 1.00 0.00 C ATOM 1243 CG LEU A 87 -1.697 9.808 -2.211 1.00 0.00 C ATOM 1244 CD1 LEU A 87 -1.528 11.291 -2.547 1.00 0.00 C ATOM 1245 CD2 LEU A 87 -1.015 9.438 -0.892 1.00 0.00 C ATOM 0 H LEU A 87 -5.644 9.430 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.565 8.898 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.251 8.354 -2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.686 9.959 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.202 9.241 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.468 11.544 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.955 11.492 -3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.041 11.894 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.035 9.729 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.506 9.959 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.088 8.362 -0.734 1.00 0.00 H new ATOM 1257 N ARG A 88 -4.404 12.010 -0.625 1.00 0.00 N ATOM 1258 CA ARG A 88 -4.226 13.355 -0.103 1.00 0.00 C ATOM 1259 C ARG A 88 -4.598 13.401 1.381 1.00 0.00 C ATOM 1260 O ARG A 88 -4.060 14.211 2.134 1.00 0.00 O ATOM 1261 CB ARG A 88 -5.086 14.362 -0.868 1.00 0.00 C ATOM 1262 CG ARG A 88 -6.271 14.828 -0.020 1.00 0.00 C ATOM 1263 CD ARG A 88 -7.315 15.543 -0.881 1.00 0.00 C ATOM 1264 NE ARG A 88 -7.755 16.788 -0.214 1.00 0.00 N ATOM 1265 CZ ARG A 88 -6.999 17.888 -0.102 1.00 0.00 C ATOM 1266 NH1 ARG A 88 -5.760 17.904 -0.612 1.00 0.00 N ATOM 1267 NH2 ARG A 88 -7.481 18.972 0.521 1.00 0.00 N ATOM 0 H ARG A 88 -5.172 11.908 -1.288 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.177 13.623 -0.228 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.479 15.221 -1.154 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.450 13.908 -1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.728 13.971 0.475 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.920 15.499 0.764 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -6.895 15.774 -1.860 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -8.170 14.888 -1.048 1.00 0.00 H new ATOM 0 HE ARG A 88 -8.693 16.810 0.186 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.393 17.079 -1.085 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.184 18.742 -0.527 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -8.424 18.960 0.910 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.905 19.810 0.606 1.00 0.00 H new ATOM 1281 N GLN A 89 -5.515 12.522 1.756 1.00 0.00 N ATOM 1282 CA GLN A 89 -5.965 12.452 3.136 1.00 0.00 C ATOM 1283 C GLN A 89 -4.938 11.710 3.993 1.00 0.00 C ATOM 1284 O GLN A 89 -4.795 11.992 5.181 1.00 0.00 O ATOM 1285 CB GLN A 89 -7.341 11.789 3.232 1.00 0.00 C ATOM 1286 CG GLN A 89 -8.406 12.633 2.530 1.00 0.00 C ATOM 1287 CD GLN A 89 -9.640 12.809 3.418 1.00 0.00 C ATOM 1288 OE1 GLN A 89 -9.551 12.950 4.627 1.00 0.00 O ATOM 1289 NE2 GLN A 89 -10.792 12.792 2.754 1.00 0.00 N ATOM 0 H GLN A 89 -5.959 11.852 1.128 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.061 13.469 3.518 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.303 10.797 2.782 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.611 11.654 4.279 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.993 13.610 2.278 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.693 12.156 1.593 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.795 12.670 1.741 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.672 12.901 3.257 1.00 0.00 H new ATOM 1298 N ALA A 90 -4.249 10.774 3.355 1.00 0.00 N ATOM 1299 CA ALA A 90 -3.238 9.989 4.044 1.00 0.00 C ATOM 1300 C ALA A 90 -2.024 10.872 4.337 1.00 0.00 C ATOM 1301 O ALA A 90 -1.102 10.454 5.035 1.00 0.00 O ATOM 1302 CB ALA A 90 -2.879 8.765 3.199 1.00 0.00 C ATOM 0 H ALA A 90 -4.371 10.542 2.369 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.619 9.626 4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.121 8.176 3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.769 8.155 3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.491 9.090 2.234 1.00 0.00 H new ATOM 1308 N ARG A 91 -2.063 12.078 3.788 1.00 0.00 N ATOM 1309 CA ARG A 91 -0.977 13.023 3.981 1.00 0.00 C ATOM 1310 C ARG A 91 -1.326 14.013 5.094 1.00 0.00 C ATOM 1311 O ARG A 91 -0.494 14.828 5.489 1.00 0.00 O ATOM 1312 CB ARG A 91 -0.684 13.797 2.694 1.00 0.00 C ATOM 1313 CG ARG A 91 -0.283 12.847 1.563 1.00 0.00 C ATOM 1314 CD ARG A 91 -0.429 13.526 0.199 1.00 0.00 C ATOM 1315 NE ARG A 91 0.832 13.404 -0.564 1.00 0.00 N ATOM 1316 CZ ARG A 91 1.897 14.198 -0.387 1.00 0.00 C ATOM 1317 NH1 ARG A 91 1.859 15.176 0.528 1.00 0.00 N ATOM 1318 NH2 ARG A 91 3.000 14.014 -1.126 1.00 0.00 N ATOM 0 H ARG A 91 -2.830 12.422 3.210 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.090 12.455 4.260 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.565 14.367 2.400 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.116 14.515 2.871 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.748 12.523 1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.905 11.953 1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.247 13.069 -0.358 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.683 14.578 0.332 1.00 0.00 H new ATOM 0 HE ARG A 91 0.895 12.670 -1.269 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.019 15.316 1.090 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.670 15.780 0.663 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.029 13.270 -1.823 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.811 14.618 -0.991 1.00 0.00 H new ATOM 1332 N GLU A 92 -2.559 13.909 5.569 1.00 0.00 N ATOM 1333 CA GLU A 92 -3.029 14.785 6.629 1.00 0.00 C ATOM 1334 C GLU A 92 -2.333 14.443 7.948 1.00 0.00 C ATOM 1335 O GLU A 92 -1.902 15.336 8.676 1.00 0.00 O ATOM 1336 CB GLU A 92 -4.550 14.702 6.774 1.00 0.00 C ATOM 1337 CG GLU A 92 -5.238 14.818 5.412 1.00 0.00 C ATOM 1338 CD GLU A 92 -5.762 16.237 5.182 1.00 0.00 C ATOM 1339 OE1 GLU A 92 -6.516 16.713 6.058 1.00 0.00 O ATOM 1340 OE2 GLU A 92 -5.396 16.814 4.135 1.00 0.00 O ATOM 0 H GLU A 92 -3.247 13.232 5.239 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.777 15.812 6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.823 13.757 7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.900 15.498 7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.535 14.553 4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.063 14.108 5.356 1.00 0.00 H new ATOM 1347 N PRO A 93 -2.242 13.114 8.222 1.00 0.00 N ATOM 1348 CA PRO A 93 -1.606 12.644 9.441 1.00 0.00 C ATOM 1349 C PRO A 93 -0.084 12.763 9.346 1.00 0.00 C ATOM 1350 O PRO A 93 0.435 13.441 8.460 1.00 0.00 O ATOM 1351 CB PRO A 93 -2.080 11.209 9.603 1.00 0.00 C ATOM 1352 CG PRO A 93 -2.588 10.780 8.236 1.00 0.00 C ATOM 1353 CD PRO A 93 -2.742 12.029 7.384 1.00 0.00 C ATOM 0 HA PRO A 93 -1.875 13.240 10.313 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.267 10.565 9.937 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.869 11.141 10.352 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.890 10.084 7.771 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.542 10.261 8.329 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.172 11.949 6.458 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.783 12.192 7.105 1.00 0.00 H new ATOM 1361 N ARG A 94 0.589 12.093 10.270 1.00 0.00 N ATOM 1362 CA ARG A 94 2.042 12.116 10.301 1.00 0.00 C ATOM 1363 C ARG A 94 2.603 10.756 9.881 1.00 0.00 C ATOM 1364 O ARG A 94 3.801 10.624 9.634 1.00 0.00 O ATOM 1365 CB ARG A 94 2.557 12.462 11.699 1.00 0.00 C ATOM 1366 CG ARG A 94 2.923 13.944 11.797 1.00 0.00 C ATOM 1367 CD ARG A 94 2.122 14.635 12.903 1.00 0.00 C ATOM 1368 NE ARG A 94 2.407 13.999 14.208 1.00 0.00 N ATOM 1369 CZ ARG A 94 2.145 14.566 15.393 1.00 0.00 C ATOM 1370 NH1 ARG A 94 1.588 15.784 15.445 1.00 0.00 N ATOM 1371 NH2 ARG A 94 2.438 13.915 16.527 1.00 0.00 N ATOM 0 H ARG A 94 0.155 11.531 11.003 1.00 0.00 H new ATOM 0 HA ARG A 94 2.377 12.883 9.602 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.795 12.222 12.441 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.430 11.852 11.930 1.00 0.00 H new ATOM 0 HG2 ARG A 94 3.990 14.046 11.997 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.730 14.434 10.843 1.00 0.00 H new ATOM 0 HD2 ARG A 94 2.378 15.694 12.942 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.056 14.573 12.684 1.00 0.00 H new ATOM 0 HE ARG A 94 2.829 13.071 14.205 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.363 16.279 14.582 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.389 16.215 16.347 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.861 12.988 16.488 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.238 14.347 17.429 1.00 0.00 H new ATOM 1385 N GLN A 95 1.710 9.779 9.811 1.00 0.00 N ATOM 1386 CA GLN A 95 2.101 8.434 9.424 1.00 0.00 C ATOM 1387 C GLN A 95 1.093 7.853 8.432 1.00 0.00 C ATOM 1388 O GLN A 95 -0.087 8.201 8.463 1.00 0.00 O ATOM 1389 CB GLN A 95 2.246 7.531 10.651 1.00 0.00 C ATOM 1390 CG GLN A 95 2.955 6.225 10.290 1.00 0.00 C ATOM 1391 CD GLN A 95 2.701 5.151 11.350 1.00 0.00 C ATOM 1392 OE1 GLN A 95 3.506 4.915 12.236 1.00 0.00 O ATOM 1393 NE2 GLN A 95 1.541 4.517 11.210 1.00 0.00 N ATOM 0 H GLN A 95 0.717 9.892 10.016 1.00 0.00 H new ATOM 0 HA GLN A 95 3.074 8.486 8.935 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.808 8.052 11.426 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.261 7.312 11.064 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.605 5.873 9.320 1.00 0.00 H new ATOM 0 HG3 GLN A 95 4.026 6.403 10.197 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.913 4.765 10.445 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.278 3.783 11.868 1.00 0.00 H new ATOM 1402 N ALA A 96 1.593 6.976 7.573 1.00 0.00 N ATOM 1403 CA ALA A 96 0.751 6.343 6.573 1.00 0.00 C ATOM 1404 C ALA A 96 1.111 4.860 6.473 1.00 0.00 C ATOM 1405 O ALA A 96 2.276 4.489 6.615 1.00 0.00 O ATOM 1406 CB ALA A 96 0.908 7.073 5.237 1.00 0.00 C ATOM 0 H ALA A 96 2.572 6.689 7.550 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.299 6.408 6.859 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.276 6.598 4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 96 0.611 8.115 5.355 1.00 0.00 H new ATOM 0 HB3 ALA A 96 1.949 7.026 4.917 1.00 0.00 H new ATOM 1412 N VAL A 97 0.091 4.051 6.230 1.00 0.00 N ATOM 1413 CA VAL A 97 0.285 2.616 6.110 1.00 0.00 C ATOM 1414 C VAL A 97 -0.033 2.180 4.679 1.00 0.00 C ATOM 1415 O VAL A 97 -1.154 2.363 4.205 1.00 0.00 O ATOM 1416 CB VAL A 97 -0.555 1.884 7.159 1.00 0.00 C ATOM 1417 CG1 VAL A 97 -0.991 0.509 6.649 1.00 0.00 C ATOM 1418 CG2 VAL A 97 0.202 1.764 8.482 1.00 0.00 C ATOM 0 H VAL A 97 -0.873 4.362 6.113 1.00 0.00 H new ATOM 0 HA VAL A 97 1.325 2.354 6.306 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.453 2.474 7.341 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.586 0.010 7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.588 0.629 5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.110 -0.092 6.425 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.418 1.240 9.210 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.125 1.207 8.324 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.439 2.760 8.857 1.00 0.00 H new ATOM 1428 N ILE A 98 0.973 1.613 4.029 1.00 0.00 N ATOM 1429 CA ILE A 98 0.814 1.150 2.661 1.00 0.00 C ATOM 1430 C ILE A 98 1.171 -0.335 2.585 1.00 0.00 C ATOM 1431 O ILE A 98 2.296 -0.724 2.896 1.00 0.00 O ATOM 1432 CB ILE A 98 1.622 2.027 1.702 1.00 0.00 C ATOM 1433 CG1 ILE A 98 1.267 3.505 1.879 1.00 0.00 C ATOM 1434 CG2 ILE A 98 1.443 1.564 0.254 1.00 0.00 C ATOM 1435 CD1 ILE A 98 2.346 4.234 2.683 1.00 0.00 C ATOM 0 H ILE A 98 1.901 1.464 4.425 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.225 1.245 2.345 1.00 0.00 H new ATOM 0 HB ILE A 98 2.678 1.918 1.947 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.156 3.976 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.307 3.594 2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 98 2.027 2.204 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.784 0.533 0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.390 1.625 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 98 2.070 5.283 2.795 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.438 3.776 3.668 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.300 4.163 2.160 1.00 0.00 H new ATOM 1447 N VAL A 99 0.192 -1.126 2.170 1.00 0.00 N ATOM 1448 CA VAL A 99 0.389 -2.561 2.050 1.00 0.00 C ATOM 1449 C VAL A 99 0.638 -2.915 0.582 1.00 0.00 C ATOM 1450 O VAL A 99 -0.252 -2.768 -0.255 1.00 0.00 O ATOM 1451 CB VAL A 99 -0.804 -3.305 2.651 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -0.514 -4.803 2.769 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -1.193 -2.713 4.007 1.00 0.00 C ATOM 0 H VAL A 99 -0.740 -0.800 1.913 1.00 0.00 H new ATOM 0 HA VAL A 99 1.267 -2.875 2.614 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.651 -3.180 1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.379 -5.308 3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.309 -5.213 1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.353 -4.956 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.044 -3.260 4.412 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.350 -2.792 4.694 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.462 -1.664 3.882 1.00 0.00 H new ATOM 1463 N THR A 100 1.851 -3.376 0.315 1.00 0.00 N ATOM 1464 CA THR A 100 2.227 -3.753 -1.037 1.00 0.00 C ATOM 1465 C THR A 100 2.875 -5.139 -1.043 1.00 0.00 C ATOM 1466 O THR A 100 3.443 -5.567 -0.040 1.00 0.00 O ATOM 1467 CB THR A 100 3.134 -2.656 -1.598 1.00 0.00 C ATOM 1468 OG1 THR A 100 4.242 -2.629 -0.703 1.00 0.00 O ATOM 1469 CG2 THR A 100 2.516 -1.262 -1.468 1.00 0.00 C ATOM 0 H THR A 100 2.586 -3.497 1.012 1.00 0.00 H new ATOM 0 HA THR A 100 1.353 -3.834 -1.683 1.00 0.00 H new ATOM 0 HB THR A 100 3.347 -2.863 -2.647 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.881 -1.945 -0.994 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.200 -0.521 -1.881 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.573 -1.230 -2.014 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.334 -1.041 -0.416 1.00 0.00 H new ATOM 1477 N ARG A 101 2.769 -5.801 -2.186 1.00 0.00 N ATOM 1478 CA ARG A 101 3.337 -7.130 -2.336 1.00 0.00 C ATOM 1479 C ARG A 101 4.588 -7.076 -3.215 1.00 0.00 C ATOM 1480 O ARG A 101 4.790 -6.114 -3.954 1.00 0.00 O ATOM 1481 CB ARG A 101 2.326 -8.095 -2.959 1.00 0.00 C ATOM 1482 CG ARG A 101 1.138 -8.324 -2.022 1.00 0.00 C ATOM 1483 CD ARG A 101 -0.182 -7.978 -2.714 1.00 0.00 C ATOM 1484 NE ARG A 101 -0.710 -9.167 -3.419 1.00 0.00 N ATOM 1485 CZ ARG A 101 -1.377 -10.162 -2.819 1.00 0.00 C ATOM 1486 NH1 ARG A 101 -1.602 -10.118 -1.499 1.00 0.00 N ATOM 1487 NH2 ARG A 101 -1.820 -11.202 -3.539 1.00 0.00 N ATOM 0 H ARG A 101 2.298 -5.442 -3.017 1.00 0.00 H new ATOM 0 HA ARG A 101 3.602 -7.491 -1.342 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.973 -7.694 -3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.812 -9.046 -3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.121 -9.365 -1.698 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.254 -7.714 -1.126 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.907 -7.629 -1.979 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.029 -7.163 -3.422 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.556 -9.233 -4.425 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.265 -9.327 -0.950 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.110 -10.876 -1.043 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -1.649 -11.236 -4.544 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -2.328 -11.959 -3.082 1.00 0.00 H new