USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 613 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: A2011 LYS NZ :NH3+ 155:sc= 1.45 (180deg=0.482) USER MOD Set 1.2: A2015 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A1964 GLN : amide:sc= 0.796 K(o=2.8,f=1.3) USER MOD Set 2.2: A2002 THR OG1 : rot 92:sc= 1.99 USER MOD Single : A1955 SER OG : rot 180:sc= 0 USER MOD Single : A1958 LYS NZ :NH3+ -146:sc= 0.423 (180deg=-0.853!) USER MOD Single : A1959 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.21) USER MOD Single : A1962 LYS NZ :NH3+ -172:sc= 1.08 (180deg=1.02) USER MOD Single : A1963 GLN : amide:sc= -0.0966 K(o=-0.097,f=-2) USER MOD Single : A1970 TYR OH : rot 180:sc= 0 USER MOD Single : A1971 THR OG1 : rot 153:sc= 1.67 USER MOD Single : A1974 SER OG : rot -144:sc= 1.13 USER MOD Single : A1980 GLN : amide:sc= 0.375 K(o=0.37,f=-5.8!) USER MOD Single : A1981 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1989 SER OG : rot 180:sc= 0 USER MOD Single : A1996 THR OG1 : rot 180:sc= 0.74 USER MOD Single : A1997 THR OG1 : rot 180:sc= 0 USER MOD Single : A1998 THR OG1 : rot 180:sc=0.000825 USER MOD Single : A2000 ASN : amide:sc= -0.102 K(o=-0.1,f=-5.9!) USER MOD Single : A2001 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2003 TYR OH : rot 166:sc= -0.0097 USER MOD Single : A2004 ASN : amide:sc= -0.0472 K(o=-0.047,f=-0.91) USER MOD Single : A2006 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.31) USER MOD Single : A2008 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2010 THR OG1 : rot 180:sc= 0 USER MOD Single : A2013 TYR OH : rot 180:sc= 0 USER MOD Single : A2017 THR OG1 : rot -87:sc= 0.715 USER MOD Single : A2022 SER OG : rot -130:sc= 0 USER MOD Single : A2024 TYR OH : rot 180:sc= 0 USER MOD Single : A2027 GLN : amide:sc= 0.454 X(o=0.45,f=0) USER MOD Single : A2030 SER OG : rot 180:sc= 0 USER MOD Single : A2031 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 285 N SER A1955 -8.262 0.247 -5.655 1.00 0.00 N ATOM 286 CA SER A1955 -8.078 1.654 -5.296 1.00 0.00 C ATOM 287 C SER A1955 -7.997 1.873 -3.794 1.00 0.00 C ATOM 288 O SER A1955 -7.236 2.728 -3.358 1.00 0.00 O ATOM 289 CB SER A1955 -9.244 2.527 -5.779 1.00 0.00 C ATOM 290 OG SER A1955 -9.283 2.706 -7.177 1.00 0.00 O ATOM 0 HA SER A1955 -7.141 1.934 -5.778 1.00 0.00 H new ATOM 0 HB2 SER A1955 -10.182 2.076 -5.454 1.00 0.00 H new ATOM 0 HB3 SER A1955 -9.177 3.503 -5.299 1.00 0.00 H new ATOM 0 HG SER A1955 -10.050 3.269 -7.413 1.00 0.00 H new ATOM 296 N GLU A1956 -8.814 1.148 -3.038 1.00 0.00 N ATOM 297 CA GLU A1956 -8.917 1.234 -1.590 1.00 0.00 C ATOM 298 C GLU A1956 -7.624 0.758 -0.947 1.00 0.00 C ATOM 299 O GLU A1956 -7.083 1.404 -0.056 1.00 0.00 O ATOM 300 CB GLU A1956 -10.121 0.425 -1.097 1.00 0.00 C ATOM 301 CG GLU A1956 -11.319 0.537 -2.050 1.00 0.00 C ATOM 302 CD GLU A1956 -12.648 0.098 -1.441 1.00 0.00 C ATOM 303 OE1 GLU A1956 -13.091 0.765 -0.480 1.00 0.00 O ATOM 304 OE2 GLU A1956 -13.235 -0.884 -1.948 1.00 0.00 O ATOM 0 H GLU A1956 -9.448 0.456 -3.437 1.00 0.00 H new ATOM 0 HA GLU A1956 -9.073 2.273 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU A1956 -9.836 -0.622 -0.994 1.00 0.00 H new ATOM 0 HB3 GLU A1956 -10.412 0.775 -0.107 1.00 0.00 H new ATOM 0 HG2 GLU A1956 -11.409 1.571 -2.382 1.00 0.00 H new ATOM 0 HG3 GLU A1956 -11.121 -0.066 -2.936 1.00 0.00 H new ATOM 311 N ILE A1957 -7.074 -0.349 -1.435 1.00 0.00 N ATOM 312 CA ILE A1957 -5.831 -0.833 -0.872 1.00 0.00 C ATOM 313 C ILE A1957 -4.732 0.141 -1.281 1.00 0.00 C ATOM 314 O ILE A1957 -3.956 0.582 -0.448 1.00 0.00 O ATOM 315 CB ILE A1957 -5.527 -2.246 -1.370 1.00 0.00 C ATOM 316 CG1 ILE A1957 -6.680 -3.230 -1.076 1.00 0.00 C ATOM 317 CG2 ILE A1957 -4.204 -2.710 -0.740 1.00 0.00 C ATOM 318 CD1 ILE A1957 -6.783 -4.281 -2.182 1.00 0.00 C ATOM 0 H ILE A1957 -7.459 -0.909 -2.196 1.00 0.00 H new ATOM 0 HA ILE A1957 -5.899 -0.887 0.215 1.00 0.00 H new ATOM 0 HB ILE A1957 -5.428 -2.229 -2.455 1.00 0.00 H new ATOM 0 HG12 ILE A1957 -6.513 -3.719 -0.116 1.00 0.00 H new ATOM 0 HG13 ILE A1957 -7.620 -2.684 -0.996 1.00 0.00 H new ATOM 0 HG21 ILE A1957 -3.971 -3.718 -1.084 1.00 0.00 H new ATOM 0 HG22 ILE A1957 -3.403 -2.031 -1.034 1.00 0.00 H new ATOM 0 HG23 ILE A1957 -4.299 -2.711 0.346 1.00 0.00 H new ATOM 0 HD11 ILE A1957 -7.601 -4.966 -1.958 1.00 0.00 H new ATOM 0 HD12 ILE A1957 -6.973 -3.788 -3.136 1.00 0.00 H new ATOM 0 HD13 ILE A1957 -5.849 -4.839 -2.242 1.00 0.00 H new ATOM 330 N LYS A1958 -4.679 0.523 -2.559 1.00 0.00 N ATOM 331 CA LYS A1958 -3.676 1.429 -3.103 1.00 0.00 C ATOM 332 C LYS A1958 -3.621 2.747 -2.315 1.00 0.00 C ATOM 333 O LYS A1958 -2.523 3.210 -1.998 1.00 0.00 O ATOM 334 CB LYS A1958 -3.975 1.637 -4.590 1.00 0.00 C ATOM 335 CG LYS A1958 -2.962 2.530 -5.327 1.00 0.00 C ATOM 336 CD LYS A1958 -3.520 3.058 -6.655 1.00 0.00 C ATOM 337 CE LYS A1958 -4.768 3.907 -6.345 1.00 0.00 C ATOM 338 NZ LYS A1958 -5.140 4.872 -7.387 1.00 0.00 N ATOM 0 H LYS A1958 -5.350 0.201 -3.257 1.00 0.00 H new ATOM 0 HA LYS A1958 -2.682 0.993 -3.003 1.00 0.00 H new ATOM 0 HB2 LYS A1958 -4.007 0.664 -5.081 1.00 0.00 H new ATOM 0 HB3 LYS A1958 -4.967 2.077 -4.690 1.00 0.00 H new ATOM 0 HG2 LYS A1958 -2.688 3.370 -4.689 1.00 0.00 H new ATOM 0 HG3 LYS A1958 -2.050 1.964 -5.517 1.00 0.00 H new ATOM 0 HD2 LYS A1958 -2.770 3.657 -7.172 1.00 0.00 H new ATOM 0 HD3 LYS A1958 -3.777 2.230 -7.316 1.00 0.00 H new ATOM 0 HE2 LYS A1958 -5.611 3.237 -6.175 1.00 0.00 H new ATOM 0 HE3 LYS A1958 -4.598 4.448 -5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A1958 -5.541 5.723 -6.944 1.00 0.00 H new ATOM 0 HZ2 LYS A1958 -4.296 5.133 -7.936 1.00 0.00 H new ATOM 0 HZ3 LYS A1958 -5.846 4.445 -8.020 1.00 0.00 H new ATOM 352 N GLN A1959 -4.769 3.379 -2.038 1.00 0.00 N ATOM 353 CA GLN A1959 -4.806 4.631 -1.281 1.00 0.00 C ATOM 354 C GLN A1959 -4.269 4.383 0.134 1.00 0.00 C ATOM 355 O GLN A1959 -3.502 5.216 0.623 1.00 0.00 O ATOM 356 CB GLN A1959 -6.206 5.294 -1.301 1.00 0.00 C ATOM 357 CG GLN A1959 -7.285 4.467 -0.595 1.00 0.00 C ATOM 358 CD GLN A1959 -8.728 4.927 -0.783 1.00 0.00 C ATOM 359 OE1 GLN A1959 -9.192 5.167 -1.899 1.00 0.00 O ATOM 360 NE2 GLN A1959 -9.487 4.988 0.297 1.00 0.00 N ATOM 0 H GLN A1959 -5.686 3.040 -2.329 1.00 0.00 H new ATOM 0 HA GLN A1959 -4.154 5.358 -1.765 1.00 0.00 H new ATOM 0 HB2 GLN A1959 -6.142 6.273 -0.827 1.00 0.00 H new ATOM 0 HB3 GLN A1959 -6.506 5.460 -2.336 1.00 0.00 H new ATOM 0 HG2 GLN A1959 -7.207 3.437 -0.943 1.00 0.00 H new ATOM 0 HG3 GLN A1959 -7.066 4.460 0.473 1.00 0.00 H new ATOM 0 HE21 GLN A1959 -9.087 4.786 1.213 1.00 0.00 H new ATOM 0 HE22 GLN A1959 -10.473 5.237 0.214 1.00 0.00 H new ATOM 369 N VAL A1960 -4.619 3.254 0.768 1.00 0.00 N ATOM 370 CA VAL A1960 -4.146 2.935 2.106 1.00 0.00 C ATOM 371 C VAL A1960 -2.637 2.751 2.033 1.00 0.00 C ATOM 372 O VAL A1960 -1.923 3.407 2.781 1.00 0.00 O ATOM 373 CB VAL A1960 -4.849 1.693 2.684 1.00 0.00 C ATOM 374 CG1 VAL A1960 -4.164 1.229 3.978 1.00 0.00 C ATOM 375 CG2 VAL A1960 -6.320 1.965 3.000 1.00 0.00 C ATOM 0 H VAL A1960 -5.233 2.547 0.364 1.00 0.00 H new ATOM 0 HA VAL A1960 -4.387 3.750 2.788 1.00 0.00 H new ATOM 0 HB VAL A1960 -4.781 0.919 1.920 1.00 0.00 H new ATOM 0 HG11 VAL A1960 -4.679 0.350 4.367 1.00 0.00 H new ATOM 0 HG12 VAL A1960 -3.124 0.978 3.769 1.00 0.00 H new ATOM 0 HG13 VAL A1960 -4.203 2.029 4.717 1.00 0.00 H new ATOM 0 HG21 VAL A1960 -6.778 1.063 3.405 1.00 0.00 H new ATOM 0 HG22 VAL A1960 -6.392 2.769 3.732 1.00 0.00 H new ATOM 0 HG23 VAL A1960 -6.840 2.257 2.088 1.00 0.00 H new ATOM 385 N LEU A1961 -2.120 1.935 1.103 1.00 0.00 N ATOM 386 CA LEU A1961 -0.697 1.697 0.953 1.00 0.00 C ATOM 387 C LEU A1961 0.033 3.036 0.919 1.00 0.00 C ATOM 388 O LEU A1961 1.005 3.187 1.649 1.00 0.00 O ATOM 389 CB LEU A1961 -0.352 0.947 -0.341 1.00 0.00 C ATOM 390 CG LEU A1961 -0.776 -0.511 -0.479 1.00 0.00 C ATOM 391 CD1 LEU A1961 -0.351 -0.998 -1.866 1.00 0.00 C ATOM 392 CD2 LEU A1961 -0.219 -1.375 0.655 1.00 0.00 C ATOM 0 H LEU A1961 -2.693 1.422 0.433 1.00 0.00 H new ATOM 0 HA LEU A1961 -0.389 1.083 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A1961 -0.794 1.499 -1.171 1.00 0.00 H new ATOM 0 HB3 LEU A1961 0.730 0.990 -0.469 1.00 0.00 H new ATOM 0 HG LEU A1961 -1.859 -0.598 -0.391 1.00 0.00 H new ATOM 0 HD11 LEU A1961 -0.643 -2.041 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A1961 -0.837 -0.391 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A1961 0.731 -0.910 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A1961 -0.544 -2.407 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A1961 0.870 -1.333 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A1961 -0.586 -1.001 1.611 1.00 0.00 H new ATOM 404 N LYS A1962 -0.428 4.006 0.114 1.00 0.00 N ATOM 405 CA LYS A1962 0.211 5.308 0.029 1.00 0.00 C ATOM 406 C LYS A1962 0.339 5.929 1.413 1.00 0.00 C ATOM 407 O LYS A1962 1.412 6.393 1.780 1.00 0.00 O ATOM 408 CB LYS A1962 -0.595 6.231 -0.897 1.00 0.00 C ATOM 409 CG LYS A1962 0.308 7.367 -1.385 1.00 0.00 C ATOM 410 CD LYS A1962 -0.425 8.375 -2.262 1.00 0.00 C ATOM 411 CE LYS A1962 -0.869 7.819 -3.598 1.00 0.00 C ATOM 412 NZ LYS A1962 -2.342 7.837 -3.767 1.00 0.00 N ATOM 0 H LYS A1962 -1.246 3.902 -0.486 1.00 0.00 H new ATOM 0 HA LYS A1962 1.211 5.180 -0.385 1.00 0.00 H new ATOM 0 HB2 LYS A1962 -0.981 5.667 -1.746 1.00 0.00 H new ATOM 0 HB3 LYS A1962 -1.456 6.637 -0.366 1.00 0.00 H new ATOM 0 HG2 LYS A1962 0.731 7.883 -0.523 1.00 0.00 H new ATOM 0 HG3 LYS A1962 1.143 6.945 -1.945 1.00 0.00 H new ATOM 0 HD2 LYS A1962 -1.299 8.742 -1.724 1.00 0.00 H new ATOM 0 HD3 LYS A1962 0.226 9.232 -2.435 1.00 0.00 H new ATOM 0 HE2 LYS A1962 -0.409 8.398 -4.398 1.00 0.00 H new ATOM 0 HE3 LYS A1962 -0.509 6.795 -3.698 1.00 0.00 H new ATOM 0 HZ1 LYS A1962 -2.598 7.325 -4.635 1.00 0.00 H new ATOM 0 HZ2 LYS A1962 -2.791 7.378 -2.949 1.00 0.00 H new ATOM 0 HZ3 LYS A1962 -2.672 8.821 -3.836 1.00 0.00 H new ATOM 426 N GLN A1963 -0.760 5.940 2.156 1.00 0.00 N ATOM 427 CA GLN A1963 -0.839 6.506 3.488 1.00 0.00 C ATOM 428 C GLN A1963 0.070 5.802 4.492 1.00 0.00 C ATOM 429 O GLN A1963 0.656 6.469 5.338 1.00 0.00 O ATOM 430 CB GLN A1963 -2.322 6.543 3.926 1.00 0.00 C ATOM 431 CG GLN A1963 -2.725 5.604 5.074 1.00 0.00 C ATOM 432 CD GLN A1963 -4.226 5.648 5.323 1.00 0.00 C ATOM 433 OE1 GLN A1963 -4.941 4.707 4.992 1.00 0.00 O ATOM 434 NE2 GLN A1963 -4.758 6.734 5.853 1.00 0.00 N ATOM 0 H GLN A1963 -1.643 5.543 1.836 1.00 0.00 H new ATOM 0 HA GLN A1963 -0.458 7.527 3.461 1.00 0.00 H new ATOM 0 HB2 GLN A1963 -2.565 7.564 4.220 1.00 0.00 H new ATOM 0 HB3 GLN A1963 -2.939 6.306 3.059 1.00 0.00 H new ATOM 0 HG2 GLN A1963 -2.423 4.584 4.835 1.00 0.00 H new ATOM 0 HG3 GLN A1963 -2.195 5.889 5.983 1.00 0.00 H new ATOM 0 HE21 GLN A1963 -4.160 7.514 6.127 1.00 0.00 H new ATOM 0 HE22 GLN A1963 -5.767 6.793 5.989 1.00 0.00 H new ATOM 443 N GLN A1964 0.189 4.476 4.416 1.00 0.00 N ATOM 444 CA GLN A1964 0.993 3.696 5.349 1.00 0.00 C ATOM 445 C GLN A1964 2.466 3.936 5.077 1.00 0.00 C ATOM 446 O GLN A1964 3.285 3.970 5.988 1.00 0.00 O ATOM 447 CB GLN A1964 0.638 2.197 5.250 1.00 0.00 C ATOM 448 CG GLN A1964 -0.861 1.930 5.459 1.00 0.00 C ATOM 449 CD GLN A1964 -1.174 0.662 6.243 1.00 0.00 C ATOM 450 OE1 GLN A1964 -1.448 0.699 7.436 1.00 0.00 O ATOM 451 NE2 GLN A1964 -1.191 -0.491 5.596 1.00 0.00 N ATOM 0 H GLN A1964 -0.273 3.913 3.701 1.00 0.00 H new ATOM 0 HA GLN A1964 0.774 4.016 6.368 1.00 0.00 H new ATOM 0 HB2 GLN A1964 0.938 1.820 4.272 1.00 0.00 H new ATOM 0 HB3 GLN A1964 1.209 1.642 5.994 1.00 0.00 H new ATOM 0 HG2 GLN A1964 -1.300 2.781 5.980 1.00 0.00 H new ATOM 0 HG3 GLN A1964 -1.345 1.868 4.484 1.00 0.00 H new ATOM 0 HE21 GLN A1964 -0.963 -0.522 4.602 1.00 0.00 H new ATOM 0 HE22 GLN A1964 -1.432 -1.350 6.091 1.00 0.00 H new ATOM 460 N LEU A1965 2.812 4.042 3.797 1.00 0.00 N ATOM 461 CA LEU A1965 4.178 4.277 3.376 1.00 0.00 C ATOM 462 C LEU A1965 4.559 5.726 3.683 1.00 0.00 C ATOM 463 O LEU A1965 5.707 5.968 4.034 1.00 0.00 O ATOM 464 CB LEU A1965 4.326 3.869 1.894 1.00 0.00 C ATOM 465 CG LEU A1965 4.823 4.968 0.954 1.00 0.00 C ATOM 466 CD1 LEU A1965 6.349 5.065 1.009 1.00 0.00 C ATOM 467 CD2 LEU A1965 4.394 4.686 -0.474 1.00 0.00 C ATOM 0 H LEU A1965 2.148 3.966 3.026 1.00 0.00 H new ATOM 0 HA LEU A1965 4.886 3.660 3.930 1.00 0.00 H new ATOM 0 HB2 LEU A1965 5.014 3.026 1.835 1.00 0.00 H new ATOM 0 HB3 LEU A1965 3.359 3.517 1.534 1.00 0.00 H new ATOM 0 HG LEU A1965 4.386 5.912 1.280 1.00 0.00 H new ATOM 0 HD11 LEU A1965 6.688 5.851 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A1965 6.662 5.299 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A1965 6.785 4.113 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A1965 4.758 5.480 -1.127 1.00 0.00 H new ATOM 0 HD22 LEU A1965 4.810 3.732 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU A1965 3.306 4.644 -0.525 1.00 0.00 H new ATOM 479 N ALA A1966 3.620 6.676 3.601 1.00 0.00 N ATOM 480 CA ALA A1966 3.903 8.066 3.863 1.00 0.00 C ATOM 481 C ALA A1966 4.462 8.232 5.267 1.00 0.00 C ATOM 482 O ALA A1966 5.520 8.830 5.442 1.00 0.00 O ATOM 483 CB ALA A1966 2.625 8.879 3.688 1.00 0.00 C ATOM 0 H ALA A1966 2.649 6.489 3.351 1.00 0.00 H new ATOM 0 HA ALA A1966 4.652 8.427 3.158 1.00 0.00 H new ATOM 0 HB1 ALA A1966 2.833 9.931 3.885 1.00 0.00 H new ATOM 0 HB2 ALA A1966 2.259 8.766 2.667 1.00 0.00 H new ATOM 0 HB3 ALA A1966 1.868 8.522 4.386 1.00 0.00 H new ATOM 489 N GLU A1967 3.787 7.650 6.258 1.00 0.00 N ATOM 490 CA GLU A1967 4.212 7.745 7.652 1.00 0.00 C ATOM 491 C GLU A1967 5.542 7.013 7.843 1.00 0.00 C ATOM 492 O GLU A1967 6.341 7.391 8.700 1.00 0.00 O ATOM 493 CB GLU A1967 3.099 7.256 8.599 1.00 0.00 C ATOM 494 CG GLU A1967 1.740 7.856 8.197 1.00 0.00 C ATOM 495 CD GLU A1967 0.789 8.174 9.350 1.00 0.00 C ATOM 496 OE1 GLU A1967 0.090 7.252 9.827 1.00 0.00 O ATOM 497 OE2 GLU A1967 0.665 9.380 9.682 1.00 0.00 O ATOM 0 H GLU A1967 2.937 7.104 6.118 1.00 0.00 H new ATOM 0 HA GLU A1967 4.387 8.789 7.913 1.00 0.00 H new ATOM 0 HB2 GLU A1967 3.044 6.168 8.572 1.00 0.00 H new ATOM 0 HB3 GLU A1967 3.337 7.538 9.625 1.00 0.00 H new ATOM 0 HG2 GLU A1967 1.920 8.773 7.636 1.00 0.00 H new ATOM 0 HG3 GLU A1967 1.242 7.161 7.521 1.00 0.00 H new ATOM 504 N ALA A1968 5.796 5.980 7.031 1.00 0.00 N ATOM 505 CA ALA A1968 7.030 5.214 7.081 1.00 0.00 C ATOM 506 C ALA A1968 8.204 6.057 6.570 1.00 0.00 C ATOM 507 O ALA A1968 9.339 5.824 6.987 1.00 0.00 O ATOM 508 CB ALA A1968 6.899 3.931 6.258 1.00 0.00 C ATOM 0 H ALA A1968 5.142 5.656 6.319 1.00 0.00 H new ATOM 0 HA ALA A1968 7.223 4.941 8.118 1.00 0.00 H new ATOM 0 HB1 ALA A1968 7.832 3.370 6.307 1.00 0.00 H new ATOM 0 HB2 ALA A1968 6.089 3.322 6.659 1.00 0.00 H new ATOM 0 HB3 ALA A1968 6.682 4.185 5.220 1.00 0.00 H new ATOM 514 N LEU A1969 7.937 7.013 5.671 1.00 0.00 N ATOM 515 CA LEU A1969 8.926 7.915 5.088 1.00 0.00 C ATOM 516 C LEU A1969 8.836 9.309 5.720 1.00 0.00 C ATOM 517 O LEU A1969 9.358 10.271 5.159 1.00 0.00 O ATOM 518 CB LEU A1969 8.825 7.996 3.552 1.00 0.00 C ATOM 519 CG LEU A1969 9.083 6.680 2.782 1.00 0.00 C ATOM 520 CD1 LEU A1969 9.426 6.946 1.313 1.00 0.00 C ATOM 521 CD2 LEU A1969 10.248 5.862 3.348 1.00 0.00 C ATOM 0 H LEU A1969 6.994 7.182 5.321 1.00 0.00 H new ATOM 0 HA LEU A1969 9.906 7.495 5.314 1.00 0.00 H new ATOM 0 HB2 LEU A1969 7.829 8.356 3.292 1.00 0.00 H new ATOM 0 HB3 LEU A1969 9.536 8.744 3.201 1.00 0.00 H new ATOM 0 HG LEU A1969 8.153 6.122 2.886 1.00 0.00 H new ATOM 0 HD11 LEU A1969 9.601 5.999 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A1969 8.597 7.468 0.835 1.00 0.00 H new ATOM 0 HD13 LEU A1969 10.324 7.561 1.255 1.00 0.00 H new ATOM 0 HD21 LEU A1969 10.373 4.952 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A1969 11.163 6.452 3.302 1.00 0.00 H new ATOM 0 HD23 LEU A1969 10.038 5.598 4.385 1.00 0.00 H new ATOM 533 N TYR A1970 8.185 9.438 6.880 1.00 0.00 N ATOM 534 CA TYR A1970 8.030 10.689 7.616 1.00 0.00 C ATOM 535 C TYR A1970 7.374 11.811 6.790 1.00 0.00 C ATOM 536 O TYR A1970 7.756 12.983 6.890 1.00 0.00 O ATOM 537 CB TYR A1970 9.383 11.113 8.225 1.00 0.00 C ATOM 538 CG TYR A1970 10.203 10.006 8.871 1.00 0.00 C ATOM 539 CD1 TYR A1970 11.089 9.232 8.096 1.00 0.00 C ATOM 540 CD2 TYR A1970 10.121 9.784 10.256 1.00 0.00 C ATOM 541 CE1 TYR A1970 11.914 8.270 8.701 1.00 0.00 C ATOM 542 CE2 TYR A1970 10.935 8.812 10.869 1.00 0.00 C ATOM 543 CZ TYR A1970 11.864 8.077 10.098 1.00 0.00 C ATOM 544 OH TYR A1970 12.742 7.231 10.706 1.00 0.00 O ATOM 0 H TYR A1970 7.738 8.647 7.344 1.00 0.00 H new ATOM 0 HA TYR A1970 7.328 10.505 8.430 1.00 0.00 H new ATOM 0 HB2 TYR A1970 9.984 11.571 7.440 1.00 0.00 H new ATOM 0 HB3 TYR A1970 9.196 11.883 8.974 1.00 0.00 H new ATOM 0 HD1 TYR A1970 11.134 9.380 7.027 1.00 0.00 H new ATOM 0 HD2 TYR A1970 9.431 10.361 10.853 1.00 0.00 H new ATOM 0 HE1 TYR A1970 12.586 7.678 8.097 1.00 0.00 H new ATOM 0 HE2 TYR A1970 10.849 8.628 11.930 1.00 0.00 H new ATOM 0 HH TYR A1970 12.568 7.217 11.670 1.00 0.00 H new ATOM 554 N THR A1971 6.377 11.477 5.972 1.00 0.00 N ATOM 555 CA THR A1971 5.671 12.428 5.129 1.00 0.00 C ATOM 556 C THR A1971 4.178 12.084 5.036 1.00 0.00 C ATOM 557 O THR A1971 3.635 11.330 5.849 1.00 0.00 O ATOM 558 CB THR A1971 6.391 12.523 3.772 1.00 0.00 C ATOM 559 OG1 THR A1971 5.971 13.740 3.177 1.00 0.00 O ATOM 560 CG2 THR A1971 6.115 11.315 2.863 1.00 0.00 C ATOM 0 H THR A1971 6.035 10.521 5.878 1.00 0.00 H new ATOM 0 HA THR A1971 5.694 13.424 5.571 1.00 0.00 H new ATOM 0 HB THR A1971 7.471 12.511 3.920 1.00 0.00 H new ATOM 0 HG1 THR A1971 6.666 14.063 2.566 1.00 0.00 H new ATOM 0 HG21 THR A1971 6.649 11.439 1.921 1.00 0.00 H new ATOM 0 HG22 THR A1971 6.454 10.404 3.356 1.00 0.00 H new ATOM 0 HG23 THR A1971 5.045 11.244 2.667 1.00 0.00 H new ATOM 568 N GLU A1972 3.506 12.699 4.066 1.00 0.00 N ATOM 569 CA GLU A1972 2.109 12.582 3.726 1.00 0.00 C ATOM 570 C GLU A1972 1.953 11.962 2.343 1.00 0.00 C ATOM 571 O GLU A1972 2.737 12.189 1.424 1.00 0.00 O ATOM 572 CB GLU A1972 1.462 13.966 3.812 1.00 0.00 C ATOM 573 CG GLU A1972 2.008 14.917 2.737 1.00 0.00 C ATOM 574 CD GLU A1972 1.586 16.349 3.022 1.00 0.00 C ATOM 575 OE1 GLU A1972 0.374 16.644 2.883 1.00 0.00 O ATOM 576 OE2 GLU A1972 2.463 17.160 3.403 1.00 0.00 O ATOM 0 H GLU A1972 3.982 13.353 3.444 1.00 0.00 H new ATOM 0 HA GLU A1972 1.603 11.921 4.429 1.00 0.00 H new ATOM 0 HB2 GLU A1972 0.382 13.870 3.699 1.00 0.00 H new ATOM 0 HB3 GLU A1972 1.642 14.391 4.799 1.00 0.00 H new ATOM 0 HG2 GLU A1972 3.096 14.853 2.706 1.00 0.00 H new ATOM 0 HG3 GLU A1972 1.642 14.613 1.756 1.00 0.00 H new ATOM 583 N GLU A1973 0.902 11.169 2.188 1.00 0.00 N ATOM 584 CA GLU A1973 0.561 10.497 0.942 1.00 0.00 C ATOM 585 C GLU A1973 0.217 11.501 -0.144 1.00 0.00 C ATOM 586 O GLU A1973 0.328 11.195 -1.330 1.00 0.00 O ATOM 587 CB GLU A1973 -0.563 9.499 1.209 1.00 0.00 C ATOM 588 CG GLU A1973 -1.716 9.943 2.104 1.00 0.00 C ATOM 589 CD GLU A1973 -2.594 10.983 1.407 1.00 0.00 C ATOM 590 OE1 GLU A1973 -3.213 10.631 0.373 1.00 0.00 O ATOM 591 OE2 GLU A1973 -2.624 12.151 1.857 1.00 0.00 O ATOM 0 H GLU A1973 0.247 10.970 2.944 1.00 0.00 H new ATOM 0 HA GLU A1973 1.422 9.943 0.569 1.00 0.00 H new ATOM 0 HB2 GLU A1973 -0.982 9.202 0.247 1.00 0.00 H new ATOM 0 HB3 GLU A1973 -0.120 8.607 1.653 1.00 0.00 H new ATOM 0 HG2 GLU A1973 -2.321 9.078 2.377 1.00 0.00 H new ATOM 0 HG3 GLU A1973 -1.320 10.360 3.030 1.00 0.00 H new ATOM 598 N SER A1974 -0.123 12.726 0.233 1.00 0.00 N ATOM 599 CA SER A1974 -0.457 13.742 -0.713 1.00 0.00 C ATOM 600 C SER A1974 0.704 14.031 -1.665 1.00 0.00 C ATOM 601 O SER A1974 0.481 14.421 -2.818 1.00 0.00 O ATOM 602 CB SER A1974 -0.926 14.977 0.052 1.00 0.00 C ATOM 603 OG SER A1974 0.076 15.946 0.309 1.00 0.00 O ATOM 0 H SER A1974 -0.170 13.027 1.206 1.00 0.00 H new ATOM 0 HA SER A1974 -1.270 13.402 -1.354 1.00 0.00 H new ATOM 0 HB2 SER A1974 -1.730 15.450 -0.512 1.00 0.00 H new ATOM 0 HB3 SER A1974 -1.350 14.656 1.003 1.00 0.00 H new ATOM 0 HG SER A1974 -0.083 16.357 1.184 1.00 0.00 H new ATOM 609 N GLU A1975 1.943 13.835 -1.202 1.00 0.00 N ATOM 610 CA GLU A1975 3.116 14.103 -2.024 1.00 0.00 C ATOM 611 C GLU A1975 3.668 12.846 -2.716 1.00 0.00 C ATOM 612 O GLU A1975 4.714 12.920 -3.360 1.00 0.00 O ATOM 613 CB GLU A1975 4.175 14.817 -1.162 1.00 0.00 C ATOM 614 CG GLU A1975 4.886 13.916 -0.131 1.00 0.00 C ATOM 615 CD GLU A1975 6.406 14.095 -0.119 1.00 0.00 C ATOM 616 OE1 GLU A1975 7.092 13.741 -1.104 1.00 0.00 O ATOM 617 OE2 GLU A1975 6.954 14.546 0.913 1.00 0.00 O ATOM 0 H GLU A1975 2.154 13.493 -0.265 1.00 0.00 H new ATOM 0 HA GLU A1975 2.822 14.758 -2.844 1.00 0.00 H new ATOM 0 HB2 GLU A1975 4.926 15.253 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A1975 3.697 15.642 -0.634 1.00 0.00 H new ATOM 0 HG2 GLU A1975 4.494 14.132 0.863 1.00 0.00 H new ATOM 0 HG3 GLU A1975 4.651 12.874 -0.346 1.00 0.00 H new ATOM 624 N ILE A1976 2.984 11.700 -2.620 1.00 0.00 N ATOM 625 CA ILE A1976 3.439 10.434 -3.184 1.00 0.00 C ATOM 626 C ILE A1976 2.670 10.063 -4.444 1.00 0.00 C ATOM 627 O ILE A1976 1.437 10.122 -4.482 1.00 0.00 O ATOM 628 CB ILE A1976 3.301 9.343 -2.099 1.00 0.00 C ATOM 629 CG1 ILE A1976 4.134 9.713 -0.864 1.00 0.00 C ATOM 630 CG2 ILE A1976 3.644 7.923 -2.592 1.00 0.00 C ATOM 631 CD1 ILE A1976 3.922 8.762 0.304 1.00 0.00 C ATOM 0 H ILE A1976 2.086 11.630 -2.140 1.00 0.00 H new ATOM 0 HA ILE A1976 4.482 10.528 -3.485 1.00 0.00 H new ATOM 0 HB ILE A1976 2.245 9.311 -1.830 1.00 0.00 H new ATOM 0 HG12 ILE A1976 5.190 9.718 -1.134 1.00 0.00 H new ATOM 0 HG13 ILE A1976 3.880 10.726 -0.551 1.00 0.00 H new ATOM 0 HG21 ILE A1976 3.523 7.214 -1.773 1.00 0.00 H new ATOM 0 HG22 ILE A1976 2.976 7.650 -3.409 1.00 0.00 H new ATOM 0 HG23 ILE A1976 4.676 7.899 -2.943 1.00 0.00 H new ATOM 0 HD11 ILE A1976 4.538 9.077 1.146 1.00 0.00 H new ATOM 0 HD12 ILE A1976 2.872 8.775 0.598 1.00 0.00 H new ATOM 0 HD13 ILE A1976 4.203 7.752 0.006 1.00 0.00 H new ATOM 643 N ALA A1977 3.401 9.674 -5.485 1.00 0.00 N ATOM 644 CA ALA A1977 2.827 9.236 -6.750 1.00 0.00 C ATOM 645 C ALA A1977 2.607 7.720 -6.635 1.00 0.00 C ATOM 646 O ALA A1977 3.239 7.046 -5.823 1.00 0.00 O ATOM 647 CB ALA A1977 3.742 9.626 -7.903 1.00 0.00 C ATOM 0 H ALA A1977 4.421 9.655 -5.472 1.00 0.00 H new ATOM 0 HA ALA A1977 1.872 9.718 -6.959 1.00 0.00 H new ATOM 0 HB1 ALA A1977 3.303 9.294 -8.844 1.00 0.00 H new ATOM 0 HB2 ALA A1977 3.863 10.709 -7.921 1.00 0.00 H new ATOM 0 HB3 ALA A1977 4.716 9.155 -7.770 1.00 0.00 H new ATOM 653 N GLU A1978 1.730 7.145 -7.454 1.00 0.00 N ATOM 654 CA GLU A1978 1.418 5.713 -7.386 1.00 0.00 C ATOM 655 C GLU A1978 2.316 4.844 -8.248 1.00 0.00 C ATOM 656 O GLU A1978 2.425 3.646 -7.997 1.00 0.00 O ATOM 657 CB GLU A1978 -0.067 5.509 -7.711 1.00 0.00 C ATOM 658 CG GLU A1978 -0.929 6.395 -6.798 1.00 0.00 C ATOM 659 CD GLU A1978 -2.415 6.360 -7.099 1.00 0.00 C ATOM 660 OE1 GLU A1978 -2.836 6.219 -8.277 1.00 0.00 O ATOM 661 OE2 GLU A1978 -3.196 6.469 -6.128 1.00 0.00 O ATOM 0 H GLU A1978 1.218 7.649 -8.178 1.00 0.00 H new ATOM 0 HA GLU A1978 1.620 5.380 -6.368 1.00 0.00 H new ATOM 0 HB2 GLU A1978 -0.257 5.755 -8.756 1.00 0.00 H new ATOM 0 HB3 GLU A1978 -0.337 4.462 -7.576 1.00 0.00 H new ATOM 0 HG2 GLU A1978 -0.774 6.086 -5.764 1.00 0.00 H new ATOM 0 HG3 GLU A1978 -0.580 7.424 -6.879 1.00 0.00 H new ATOM 668 N ASP A1979 2.962 5.476 -9.217 1.00 0.00 N ATOM 669 CA ASP A1979 3.895 4.959 -10.203 1.00 0.00 C ATOM 670 C ASP A1979 5.336 5.351 -9.861 1.00 0.00 C ATOM 671 O ASP A1979 6.237 5.086 -10.666 1.00 0.00 O ATOM 672 CB ASP A1979 3.510 5.510 -11.586 1.00 0.00 C ATOM 673 CG ASP A1979 3.739 7.019 -11.711 1.00 0.00 C ATOM 674 OD1 ASP A1979 3.123 7.790 -10.939 1.00 0.00 O ATOM 675 OD2 ASP A1979 4.471 7.448 -12.633 1.00 0.00 O ATOM 0 H ASP A1979 2.828 6.479 -9.344 1.00 0.00 H new ATOM 0 HA ASP A1979 3.841 3.870 -10.206 1.00 0.00 H new ATOM 0 HB2 ASP A1979 4.091 4.995 -12.351 1.00 0.00 H new ATOM 0 HB3 ASP A1979 2.460 5.290 -11.780 1.00 0.00 H new ATOM 680 N GLN A1980 5.551 6.034 -8.728 1.00 0.00 N ATOM 681 CA GLN A1980 6.880 6.443 -8.284 1.00 0.00 C ATOM 682 C GLN A1980 7.397 5.370 -7.344 1.00 0.00 C ATOM 683 O GLN A1980 6.644 4.748 -6.591 1.00 0.00 O ATOM 684 CB GLN A1980 6.902 7.832 -7.636 1.00 0.00 C ATOM 685 CG GLN A1980 8.306 8.302 -7.208 1.00 0.00 C ATOM 686 CD GLN A1980 9.253 8.381 -8.403 1.00 0.00 C ATOM 687 OE1 GLN A1980 9.844 7.385 -8.827 1.00 0.00 O ATOM 688 NE2 GLN A1980 9.345 9.543 -9.015 1.00 0.00 N ATOM 0 H GLN A1980 4.802 6.317 -8.096 1.00 0.00 H new ATOM 0 HA GLN A1980 7.533 6.538 -9.152 1.00 0.00 H new ATOM 0 HB2 GLN A1980 6.486 8.555 -8.337 1.00 0.00 H new ATOM 0 HB3 GLN A1980 6.251 7.824 -6.762 1.00 0.00 H new ATOM 0 HG2 GLN A1980 8.235 9.280 -6.732 1.00 0.00 H new ATOM 0 HG3 GLN A1980 8.711 7.615 -6.465 1.00 0.00 H new ATOM 0 HE21 GLN A1980 8.848 10.354 -8.647 1.00 0.00 H new ATOM 0 HE22 GLN A1980 9.914 9.632 -9.857 1.00 0.00 H new ATOM 697 N LYS A1981 8.701 5.148 -7.432 1.00 0.00 N ATOM 698 CA LYS A1981 9.418 4.150 -6.671 1.00 0.00 C ATOM 699 C LYS A1981 9.624 4.606 -5.241 1.00 0.00 C ATOM 700 O LYS A1981 10.167 5.683 -5.013 1.00 0.00 O ATOM 701 CB LYS A1981 10.713 3.800 -7.414 1.00 0.00 C ATOM 702 CG LYS A1981 10.330 3.440 -8.863 1.00 0.00 C ATOM 703 CD LYS A1981 11.136 2.309 -9.478 1.00 0.00 C ATOM 704 CE LYS A1981 10.312 1.764 -10.653 1.00 0.00 C ATOM 705 NZ LYS A1981 10.249 2.692 -11.804 1.00 0.00 N ATOM 0 H LYS A1981 9.305 5.680 -8.059 1.00 0.00 H new ATOM 0 HA LYS A1981 8.836 3.232 -6.590 1.00 0.00 H new ATOM 0 HB2 LYS A1981 11.405 4.642 -7.398 1.00 0.00 H new ATOM 0 HB3 LYS A1981 11.218 2.963 -6.931 1.00 0.00 H new ATOM 0 HG2 LYS A1981 9.275 3.169 -8.887 1.00 0.00 H new ATOM 0 HG3 LYS A1981 10.445 4.328 -9.485 1.00 0.00 H new ATOM 0 HD2 LYS A1981 12.107 2.668 -9.820 1.00 0.00 H new ATOM 0 HD3 LYS A1981 11.326 1.526 -8.744 1.00 0.00 H new ATOM 0 HE2 LYS A1981 10.742 0.818 -10.981 1.00 0.00 H new ATOM 0 HE3 LYS A1981 9.299 1.552 -10.310 1.00 0.00 H new ATOM 0 HZ1 LYS A1981 9.679 2.266 -12.563 1.00 0.00 H new ATOM 0 HZ2 LYS A1981 9.813 3.587 -11.505 1.00 0.00 H new ATOM 0 HZ3 LYS A1981 11.211 2.876 -12.155 1.00 0.00 H new ATOM 719 N PHE A1982 9.257 3.764 -4.278 1.00 0.00 N ATOM 720 CA PHE A1982 9.406 4.076 -2.857 1.00 0.00 C ATOM 721 C PHE A1982 10.866 4.370 -2.545 1.00 0.00 C ATOM 722 O PHE A1982 11.165 5.284 -1.784 1.00 0.00 O ATOM 723 CB PHE A1982 8.918 2.928 -1.968 1.00 0.00 C ATOM 724 CG PHE A1982 7.621 2.291 -2.375 1.00 0.00 C ATOM 725 CD1 PHE A1982 6.500 3.108 -2.540 1.00 0.00 C ATOM 726 CD2 PHE A1982 7.522 0.901 -2.557 1.00 0.00 C ATOM 727 CE1 PHE A1982 5.283 2.533 -2.918 1.00 0.00 C ATOM 728 CE2 PHE A1982 6.288 0.323 -2.895 1.00 0.00 C ATOM 729 CZ PHE A1982 5.161 1.140 -3.070 1.00 0.00 C ATOM 0 H PHE A1982 8.848 2.847 -4.459 1.00 0.00 H new ATOM 0 HA PHE A1982 8.793 4.952 -2.645 1.00 0.00 H new ATOM 0 HB2 PHE A1982 9.688 2.157 -1.947 1.00 0.00 H new ATOM 0 HB3 PHE A1982 8.813 3.302 -0.949 1.00 0.00 H new ATOM 0 HD1 PHE A1982 6.573 4.173 -2.377 1.00 0.00 H new ATOM 0 HD2 PHE A1982 8.395 0.277 -2.437 1.00 0.00 H new ATOM 0 HE1 PHE A1982 4.426 3.166 -3.095 1.00 0.00 H new ATOM 0 HE2 PHE A1982 6.207 -0.747 -3.020 1.00 0.00 H new ATOM 0 HZ PHE A1982 4.206 0.702 -3.320 1.00 0.00 H new ATOM 739 N VAL A1983 11.785 3.592 -3.121 1.00 0.00 N ATOM 740 CA VAL A1983 13.212 3.777 -2.906 1.00 0.00 C ATOM 741 C VAL A1983 13.651 5.172 -3.357 1.00 0.00 C ATOM 742 O VAL A1983 14.556 5.746 -2.761 1.00 0.00 O ATOM 743 CB VAL A1983 14.016 2.674 -3.604 1.00 0.00 C ATOM 744 CG1 VAL A1983 13.863 1.318 -2.900 1.00 0.00 C ATOM 745 CG2 VAL A1983 13.666 2.497 -5.096 1.00 0.00 C ATOM 0 H VAL A1983 11.557 2.820 -3.747 1.00 0.00 H new ATOM 0 HA VAL A1983 13.414 3.700 -1.838 1.00 0.00 H new ATOM 0 HB VAL A1983 15.050 3.012 -3.539 1.00 0.00 H new ATOM 0 HG11 VAL A1983 14.449 0.566 -3.428 1.00 0.00 H new ATOM 0 HG12 VAL A1983 14.218 1.399 -1.873 1.00 0.00 H new ATOM 0 HG13 VAL A1983 12.813 1.025 -2.899 1.00 0.00 H new ATOM 0 HG21 VAL A1983 14.275 1.699 -5.521 1.00 0.00 H new ATOM 0 HG22 VAL A1983 12.611 2.239 -5.194 1.00 0.00 H new ATOM 0 HG23 VAL A1983 13.864 3.427 -5.629 1.00 0.00 H new ATOM 755 N ASP A1984 13.015 5.730 -4.395 1.00 0.00 N ATOM 756 CA ASP A1984 13.346 7.063 -4.880 1.00 0.00 C ATOM 757 C ASP A1984 12.902 8.089 -3.849 1.00 0.00 C ATOM 758 O ASP A1984 13.564 9.109 -3.654 1.00 0.00 O ATOM 759 CB ASP A1984 12.679 7.362 -6.226 1.00 0.00 C ATOM 760 CG ASP A1984 13.326 8.598 -6.840 1.00 0.00 C ATOM 761 OD1 ASP A1984 14.400 8.422 -7.467 1.00 0.00 O ATOM 762 OD2 ASP A1984 12.793 9.718 -6.694 1.00 0.00 O ATOM 0 H ASP A1984 12.266 5.271 -4.913 1.00 0.00 H new ATOM 0 HA ASP A1984 14.425 7.114 -5.029 1.00 0.00 H new ATOM 0 HB2 ASP A1984 12.786 6.509 -6.896 1.00 0.00 H new ATOM 0 HB3 ASP A1984 11.610 7.526 -6.088 1.00 0.00 H new ATOM 767 N LEU A1985 11.781 7.825 -3.179 1.00 0.00 N ATOM 768 CA LEU A1985 11.260 8.714 -2.154 1.00 0.00 C ATOM 769 C LEU A1985 12.157 8.631 -0.914 1.00 0.00 C ATOM 770 O LEU A1985 12.377 9.666 -0.292 1.00 0.00 O ATOM 771 CB LEU A1985 9.785 8.411 -1.840 1.00 0.00 C ATOM 772 CG LEU A1985 8.831 8.508 -3.049 1.00 0.00 C ATOM 773 CD1 LEU A1985 7.367 8.446 -2.621 1.00 0.00 C ATOM 774 CD2 LEU A1985 9.023 9.783 -3.878 1.00 0.00 C ATOM 0 H LEU A1985 11.214 6.991 -3.334 1.00 0.00 H new ATOM 0 HA LEU A1985 11.278 9.740 -2.520 1.00 0.00 H new ATOM 0 HB2 LEU A1985 9.716 7.407 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU A1985 9.443 9.102 -1.069 1.00 0.00 H new ATOM 0 HG LEU A1985 9.086 7.647 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A1985 6.727 8.517 -3.501 1.00 0.00 H new ATOM 0 HD12 LEU A1985 7.177 7.502 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A1985 7.150 9.274 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU A1985 8.320 9.785 -4.711 1.00 0.00 H new ATOM 0 HD22 LEU A1985 8.844 10.656 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A1985 10.042 9.817 -4.263 1.00 0.00 H new ATOM 786 N GLY A1986 12.732 7.457 -0.613 1.00 0.00 N ATOM 787 CA GLY A1986 13.626 7.229 0.525 1.00 0.00 C ATOM 788 C GLY A1986 13.439 5.887 1.246 1.00 0.00 C ATOM 789 O GLY A1986 13.915 5.726 2.373 1.00 0.00 O ATOM 0 H GLY A1986 12.581 6.618 -1.173 1.00 0.00 H new ATOM 0 HA2 GLY A1986 14.656 7.295 0.176 1.00 0.00 H new ATOM 0 HA3 GLY A1986 13.482 8.034 1.246 1.00 0.00 H new ATOM 793 N LEU A1987 12.713 4.935 0.647 1.00 0.00 N ATOM 794 CA LEU A1987 12.434 3.619 1.222 1.00 0.00 C ATOM 795 C LEU A1987 13.724 2.812 1.266 1.00 0.00 C ATOM 796 O LEU A1987 14.238 2.374 0.241 1.00 0.00 O ATOM 797 CB LEU A1987 11.340 2.946 0.393 1.00 0.00 C ATOM 798 CG LEU A1987 10.508 1.804 0.994 1.00 0.00 C ATOM 799 CD1 LEU A1987 11.347 0.599 1.372 1.00 0.00 C ATOM 800 CD2 LEU A1987 9.692 2.271 2.205 1.00 0.00 C ATOM 0 H LEU A1987 12.294 5.065 -0.274 1.00 0.00 H new ATOM 0 HA LEU A1987 12.070 3.699 2.246 1.00 0.00 H new ATOM 0 HB2 LEU A1987 10.643 3.725 0.084 1.00 0.00 H new ATOM 0 HB3 LEU A1987 11.811 2.562 -0.512 1.00 0.00 H new ATOM 0 HG LEU A1987 9.822 1.495 0.205 1.00 0.00 H new ATOM 0 HD11 LEU A1987 10.704 -0.175 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A1987 11.849 0.213 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A1987 12.092 0.892 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A1987 9.117 1.434 2.601 1.00 0.00 H new ATOM 0 HD22 LEU A1987 10.366 2.645 2.975 1.00 0.00 H new ATOM 0 HD23 LEU A1987 9.012 3.066 1.901 1.00 0.00 H new ATOM 812 N ASP A1988 14.215 2.566 2.468 1.00 0.00 N ATOM 813 CA ASP A1988 15.454 1.838 2.700 1.00 0.00 C ATOM 814 C ASP A1988 15.183 0.353 2.882 1.00 0.00 C ATOM 815 O ASP A1988 14.076 -0.155 2.688 1.00 0.00 O ATOM 816 CB ASP A1988 16.172 2.400 3.941 1.00 0.00 C ATOM 817 CG ASP A1988 17.513 3.063 3.637 1.00 0.00 C ATOM 818 OD1 ASP A1988 18.296 2.471 2.861 1.00 0.00 O ATOM 819 OD2 ASP A1988 17.826 4.095 4.269 1.00 0.00 O ATOM 0 H ASP A1988 13.757 2.871 3.327 1.00 0.00 H new ATOM 0 HA ASP A1988 16.095 1.965 1.828 1.00 0.00 H new ATOM 0 HB2 ASP A1988 15.521 3.127 4.426 1.00 0.00 H new ATOM 0 HB3 ASP A1988 16.332 1.590 4.653 1.00 0.00 H new ATOM 824 N SER A1989 16.232 -0.386 3.192 1.00 0.00 N ATOM 825 CA SER A1989 16.157 -1.821 3.408 1.00 0.00 C ATOM 826 C SER A1989 15.438 -2.088 4.728 1.00 0.00 C ATOM 827 O SER A1989 14.702 -3.067 4.849 1.00 0.00 O ATOM 828 CB SER A1989 17.586 -2.368 3.449 1.00 0.00 C ATOM 829 OG SER A1989 17.640 -3.774 3.354 1.00 0.00 O ATOM 0 H SER A1989 17.171 -0.003 3.302 1.00 0.00 H new ATOM 0 HA SER A1989 15.603 -2.312 2.608 1.00 0.00 H new ATOM 0 HB2 SER A1989 18.160 -1.932 2.631 1.00 0.00 H new ATOM 0 HB3 SER A1989 18.063 -2.053 4.377 1.00 0.00 H new ATOM 0 HG SER A1989 18.574 -4.068 3.384 1.00 0.00 H new ATOM 835 N ILE A1990 15.635 -1.197 5.698 1.00 0.00 N ATOM 836 CA ILE A1990 15.068 -1.289 7.025 1.00 0.00 C ATOM 837 C ILE A1990 13.561 -1.079 6.937 1.00 0.00 C ATOM 838 O ILE A1990 12.785 -1.977 7.262 1.00 0.00 O ATOM 839 CB ILE A1990 15.788 -0.277 7.952 1.00 0.00 C ATOM 840 CG1 ILE A1990 17.263 -0.679 8.159 1.00 0.00 C ATOM 841 CG2 ILE A1990 15.145 -0.199 9.344 1.00 0.00 C ATOM 842 CD1 ILE A1990 18.222 -0.281 7.040 1.00 0.00 C ATOM 0 H ILE A1990 16.214 -0.367 5.569 1.00 0.00 H new ATOM 0 HA ILE A1990 15.221 -2.276 7.461 1.00 0.00 H new ATOM 0 HB ILE A1990 15.707 0.690 7.456 1.00 0.00 H new ATOM 0 HG12 ILE A1990 17.615 -0.233 9.089 1.00 0.00 H new ATOM 0 HG13 ILE A1990 17.311 -1.761 8.286 1.00 0.00 H new ATOM 0 HG21 ILE A1990 15.686 0.524 9.955 1.00 0.00 H new ATOM 0 HG22 ILE A1990 14.105 0.114 9.248 1.00 0.00 H new ATOM 0 HG23 ILE A1990 15.186 -1.179 9.819 1.00 0.00 H new ATOM 0 HD11 ILE A1990 19.230 -0.613 7.290 1.00 0.00 H new ATOM 0 HD12 ILE A1990 17.907 -0.749 6.107 1.00 0.00 H new ATOM 0 HD13 ILE A1990 18.215 0.803 6.923 1.00 0.00 H new ATOM 854 N VAL A1991 13.174 0.093 6.439 1.00 0.00 N ATOM 855 CA VAL A1991 11.793 0.523 6.274 1.00 0.00 C ATOM 856 C VAL A1991 11.006 -0.482 5.427 1.00 0.00 C ATOM 857 O VAL A1991 9.846 -0.764 5.713 1.00 0.00 O ATOM 858 CB VAL A1991 11.730 1.941 5.664 1.00 0.00 C ATOM 859 CG1 VAL A1991 10.312 2.511 5.806 1.00 0.00 C ATOM 860 CG2 VAL A1991 12.694 2.944 6.315 1.00 0.00 C ATOM 0 H VAL A1991 13.844 0.796 6.127 1.00 0.00 H new ATOM 0 HA VAL A1991 11.328 0.563 7.259 1.00 0.00 H new ATOM 0 HB VAL A1991 12.022 1.819 4.621 1.00 0.00 H new ATOM 0 HG11 VAL A1991 10.277 3.511 5.373 1.00 0.00 H new ATOM 0 HG12 VAL A1991 9.606 1.865 5.284 1.00 0.00 H new ATOM 0 HG13 VAL A1991 10.045 2.563 6.861 1.00 0.00 H new ATOM 0 HG21 VAL A1991 12.590 3.915 5.831 1.00 0.00 H new ATOM 0 HG22 VAL A1991 12.459 3.039 7.375 1.00 0.00 H new ATOM 0 HG23 VAL A1991 13.719 2.590 6.201 1.00 0.00 H new ATOM 870 N GLY A1992 11.627 -1.074 4.404 1.00 0.00 N ATOM 871 CA GLY A1992 10.944 -2.025 3.545 1.00 0.00 C ATOM 872 C GLY A1992 10.530 -3.308 4.248 1.00 0.00 C ATOM 873 O GLY A1992 9.562 -3.928 3.817 1.00 0.00 O ATOM 0 H GLY A1992 12.602 -0.907 4.156 1.00 0.00 H new ATOM 0 HA2 GLY A1992 10.057 -1.549 3.127 1.00 0.00 H new ATOM 0 HA3 GLY A1992 11.595 -2.276 2.708 1.00 0.00 H new ATOM 877 N VAL A1993 11.245 -3.729 5.290 1.00 0.00 N ATOM 878 CA VAL A1993 10.918 -4.936 6.037 1.00 0.00 C ATOM 879 C VAL A1993 9.740 -4.628 6.956 1.00 0.00 C ATOM 880 O VAL A1993 8.716 -5.297 6.878 1.00 0.00 O ATOM 881 CB VAL A1993 12.162 -5.390 6.838 1.00 0.00 C ATOM 882 CG1 VAL A1993 11.866 -6.525 7.832 1.00 0.00 C ATOM 883 CG2 VAL A1993 13.289 -5.874 5.921 1.00 0.00 C ATOM 0 H VAL A1993 12.069 -3.239 5.639 1.00 0.00 H new ATOM 0 HA VAL A1993 10.636 -5.749 5.368 1.00 0.00 H new ATOM 0 HB VAL A1993 12.467 -4.500 7.388 1.00 0.00 H new ATOM 0 HG11 VAL A1993 12.781 -6.794 8.360 1.00 0.00 H new ATOM 0 HG12 VAL A1993 11.117 -6.193 8.551 1.00 0.00 H new ATOM 0 HG13 VAL A1993 11.490 -7.393 7.291 1.00 0.00 H new ATOM 0 HG21 VAL A1993 14.142 -6.183 6.525 1.00 0.00 H new ATOM 0 HG22 VAL A1993 12.939 -6.719 5.329 1.00 0.00 H new ATOM 0 HG23 VAL A1993 13.590 -5.065 5.256 1.00 0.00 H new ATOM 893 N GLU A1994 9.865 -3.614 7.810 1.00 0.00 N ATOM 894 CA GLU A1994 8.813 -3.241 8.750 1.00 0.00 C ATOM 895 C GLU A1994 7.520 -2.864 8.024 1.00 0.00 C ATOM 896 O GLU A1994 6.445 -3.327 8.408 1.00 0.00 O ATOM 897 CB GLU A1994 9.323 -2.153 9.702 1.00 0.00 C ATOM 898 CG GLU A1994 9.808 -0.897 8.972 1.00 0.00 C ATOM 899 CD GLU A1994 10.437 0.096 9.943 1.00 0.00 C ATOM 900 OE1 GLU A1994 9.712 0.877 10.595 1.00 0.00 O ATOM 901 OE2 GLU A1994 11.684 0.069 10.076 1.00 0.00 O ATOM 0 H GLU A1994 10.698 -3.029 7.869 1.00 0.00 H new ATOM 0 HA GLU A1994 8.556 -4.105 9.363 1.00 0.00 H new ATOM 0 HB2 GLU A1994 8.525 -1.880 10.393 1.00 0.00 H new ATOM 0 HB3 GLU A1994 10.139 -2.556 10.301 1.00 0.00 H new ATOM 0 HG2 GLU A1994 10.536 -1.174 8.209 1.00 0.00 H new ATOM 0 HG3 GLU A1994 8.971 -0.426 8.457 1.00 0.00 H new ATOM 908 N TRP A1995 7.604 -2.122 6.915 1.00 0.00 N ATOM 909 CA TRP A1995 6.415 -1.737 6.172 1.00 0.00 C ATOM 910 C TRP A1995 5.737 -2.971 5.592 1.00 0.00 C ATOM 911 O TRP A1995 4.506 -3.026 5.522 1.00 0.00 O ATOM 912 CB TRP A1995 6.771 -0.732 5.087 1.00 0.00 C ATOM 913 CG TRP A1995 5.575 -0.099 4.454 1.00 0.00 C ATOM 914 CD1 TRP A1995 4.631 0.625 5.095 1.00 0.00 C ATOM 915 CD2 TRP A1995 5.160 -0.150 3.063 1.00 0.00 C ATOM 916 NE1 TRP A1995 3.654 0.997 4.195 1.00 0.00 N ATOM 917 CE2 TRP A1995 3.943 0.569 2.919 1.00 0.00 C ATOM 918 CE3 TRP A1995 5.708 -0.720 1.901 1.00 0.00 C ATOM 919 CZ2 TRP A1995 3.326 0.742 1.672 1.00 0.00 C ATOM 920 CZ3 TRP A1995 5.130 -0.515 0.636 1.00 0.00 C ATOM 921 CH2 TRP A1995 3.953 0.246 0.518 1.00 0.00 C ATOM 0 H TRP A1995 8.480 -1.781 6.519 1.00 0.00 H new ATOM 0 HA TRP A1995 5.710 -1.255 6.850 1.00 0.00 H new ATOM 0 HB2 TRP A1995 7.402 0.047 5.515 1.00 0.00 H new ATOM 0 HB3 TRP A1995 7.359 -1.232 4.317 1.00 0.00 H new ATOM 0 HD1 TRP A1995 4.640 0.873 6.146 1.00 0.00 H new ATOM 0 HE1 TRP A1995 2.818 1.526 4.445 1.00 0.00 H new ATOM 0 HE3 TRP A1995 6.595 -1.331 1.982 1.00 0.00 H new ATOM 0 HZ2 TRP A1995 2.377 1.252 1.600 1.00 0.00 H new ATOM 0 HZ3 TRP A1995 5.589 -0.941 -0.244 1.00 0.00 H new ATOM 0 HH2 TRP A1995 3.533 0.448 -0.456 1.00 0.00 H new ATOM 932 N THR A1996 6.523 -3.973 5.176 1.00 0.00 N ATOM 933 CA THR A1996 5.939 -5.200 4.650 1.00 0.00 C ATOM 934 C THR A1996 5.068 -5.830 5.754 1.00 0.00 C ATOM 935 O THR A1996 4.040 -6.442 5.458 1.00 0.00 O ATOM 936 CB THR A1996 7.025 -6.133 4.076 1.00 0.00 C ATOM 937 OG1 THR A1996 6.655 -6.550 2.768 1.00 0.00 O ATOM 938 CG2 THR A1996 7.338 -7.368 4.921 1.00 0.00 C ATOM 0 H THR A1996 7.543 -3.955 5.195 1.00 0.00 H new ATOM 0 HA THR A1996 5.289 -4.993 3.800 1.00 0.00 H new ATOM 0 HB THR A1996 7.937 -5.537 4.070 1.00 0.00 H new ATOM 0 HG1 THR A1996 7.347 -7.141 2.405 1.00 0.00 H new ATOM 0 HG21 THR A1996 8.113 -7.957 4.431 1.00 0.00 H new ATOM 0 HG22 THR A1996 7.687 -7.056 5.905 1.00 0.00 H new ATOM 0 HG23 THR A1996 6.437 -7.972 5.030 1.00 0.00 H new ATOM 946 N THR A1997 5.455 -5.672 7.025 1.00 0.00 N ATOM 947 CA THR A1997 4.697 -6.215 8.133 1.00 0.00 C ATOM 948 C THR A1997 3.416 -5.410 8.300 1.00 0.00 C ATOM 949 O THR A1997 2.350 -6.019 8.369 1.00 0.00 O ATOM 950 CB THR A1997 5.516 -6.243 9.427 1.00 0.00 C ATOM 951 OG1 THR A1997 6.657 -7.056 9.266 1.00 0.00 O ATOM 952 CG2 THR A1997 4.646 -6.818 10.541 1.00 0.00 C ATOM 0 H THR A1997 6.297 -5.167 7.302 1.00 0.00 H new ATOM 0 HA THR A1997 4.443 -7.252 7.911 1.00 0.00 H new ATOM 0 HB THR A1997 5.836 -5.231 9.675 1.00 0.00 H new ATOM 0 HG1 THR A1997 7.173 -7.064 10.099 1.00 0.00 H new ATOM 0 HG21 THR A1997 5.215 -6.845 11.470 1.00 0.00 H new ATOM 0 HG22 THR A1997 3.764 -6.192 10.674 1.00 0.00 H new ATOM 0 HG23 THR A1997 4.337 -7.829 10.276 1.00 0.00 H new ATOM 960 N THR A1998 3.482 -4.076 8.276 1.00 0.00 N ATOM 961 CA THR A1998 2.299 -3.224 8.437 1.00 0.00 C ATOM 962 C THR A1998 1.253 -3.633 7.398 1.00 0.00 C ATOM 963 O THR A1998 0.056 -3.683 7.677 1.00 0.00 O ATOM 964 CB THR A1998 2.712 -1.753 8.220 1.00 0.00 C ATOM 965 OG1 THR A1998 3.805 -1.418 9.047 1.00 0.00 O ATOM 966 CG2 THR A1998 1.577 -0.751 8.452 1.00 0.00 C ATOM 0 H THR A1998 4.351 -3.558 8.145 1.00 0.00 H new ATOM 0 HA THR A1998 1.879 -3.337 9.436 1.00 0.00 H new ATOM 0 HB THR A1998 2.992 -1.679 7.169 1.00 0.00 H new ATOM 0 HG1 THR A1998 4.055 -0.483 8.896 1.00 0.00 H new ATOM 0 HG21 THR A1998 1.944 0.261 8.280 1.00 0.00 H new ATOM 0 HG22 THR A1998 0.759 -0.962 7.763 1.00 0.00 H new ATOM 0 HG23 THR A1998 1.219 -0.838 9.478 1.00 0.00 H new ATOM 974 N ILE A1999 1.712 -3.954 6.191 1.00 0.00 N ATOM 975 CA ILE A1999 0.865 -4.375 5.090 1.00 0.00 C ATOM 976 C ILE A1999 0.196 -5.701 5.445 1.00 0.00 C ATOM 977 O ILE A1999 -1.017 -5.840 5.280 1.00 0.00 O ATOM 978 CB ILE A1999 1.716 -4.476 3.805 1.00 0.00 C ATOM 979 CG1 ILE A1999 1.967 -3.057 3.259 1.00 0.00 C ATOM 980 CG2 ILE A1999 1.025 -5.344 2.745 1.00 0.00 C ATOM 981 CD1 ILE A1999 2.953 -3.031 2.089 1.00 0.00 C ATOM 0 H ILE A1999 2.703 -3.927 5.951 1.00 0.00 H new ATOM 0 HA ILE A1999 0.076 -3.645 4.910 1.00 0.00 H new ATOM 0 HB ILE A1999 2.666 -4.953 4.047 1.00 0.00 H new ATOM 0 HG12 ILE A1999 1.019 -2.625 2.938 1.00 0.00 H new ATOM 0 HG13 ILE A1999 2.349 -2.427 4.062 1.00 0.00 H new ATOM 0 HG21 ILE A1999 1.649 -5.395 1.853 1.00 0.00 H new ATOM 0 HG22 ILE A1999 0.873 -6.349 3.140 1.00 0.00 H new ATOM 0 HG23 ILE A1999 0.061 -4.906 2.488 1.00 0.00 H new ATOM 0 HD11 ILE A1999 3.088 -2.004 1.749 1.00 0.00 H new ATOM 0 HD12 ILE A1999 3.912 -3.435 2.413 1.00 0.00 H new ATOM 0 HD13 ILE A1999 2.562 -3.636 1.270 1.00 0.00 H new ATOM 993 N ASN A2000 0.975 -6.680 5.907 1.00 0.00 N ATOM 994 CA ASN A2000 0.455 -7.990 6.247 1.00 0.00 C ATOM 995 C ASN A2000 -0.612 -7.891 7.304 1.00 0.00 C ATOM 996 O ASN A2000 -1.617 -8.569 7.206 1.00 0.00 O ATOM 997 CB ASN A2000 1.534 -8.899 6.838 1.00 0.00 C ATOM 998 CG ASN A2000 2.612 -9.244 5.854 1.00 0.00 C ATOM 999 OD1 ASN A2000 2.348 -9.408 4.672 1.00 0.00 O ATOM 1000 ND2 ASN A2000 3.834 -9.364 6.329 1.00 0.00 N ATOM 0 H ASN A2000 1.980 -6.580 6.053 1.00 0.00 H new ATOM 0 HA ASN A2000 0.067 -8.400 5.314 1.00 0.00 H new ATOM 0 HB2 ASN A2000 1.982 -8.408 7.702 1.00 0.00 H new ATOM 0 HB3 ASN A2000 1.071 -9.818 7.198 1.00 0.00 H new ATOM 0 HD21 ASN A2000 4.603 -9.602 5.703 1.00 0.00 H new ATOM 0 HD22 ASN A2000 4.011 -9.219 7.323 1.00 0.00 H new ATOM 1007 N GLN A2001 -0.395 -7.063 8.314 1.00 0.00 N ATOM 1008 CA GLN A2001 -1.343 -6.895 9.406 1.00 0.00 C ATOM 1009 C GLN A2001 -2.615 -6.191 8.951 1.00 0.00 C ATOM 1010 O GLN A2001 -3.698 -6.439 9.485 1.00 0.00 O ATOM 1011 CB GLN A2001 -0.698 -6.085 10.530 1.00 0.00 C ATOM 1012 CG GLN A2001 0.600 -6.720 11.037 1.00 0.00 C ATOM 1013 CD GLN A2001 0.754 -6.483 12.527 1.00 0.00 C ATOM 1014 OE1 GLN A2001 1.320 -5.469 12.924 1.00 0.00 O ATOM 1015 NE2 GLN A2001 0.234 -7.350 13.368 1.00 0.00 N ATOM 0 H GLN A2001 0.443 -6.488 8.400 1.00 0.00 H new ATOM 0 HA GLN A2001 -1.613 -7.889 9.761 1.00 0.00 H new ATOM 0 HB2 GLN A2001 -0.491 -5.076 10.174 1.00 0.00 H new ATOM 0 HB3 GLN A2001 -1.401 -5.993 11.357 1.00 0.00 H new ATOM 0 HG2 GLN A2001 0.594 -7.790 10.831 1.00 0.00 H new ATOM 0 HG3 GLN A2001 1.452 -6.297 10.505 1.00 0.00 H new ATOM 0 HE21 GLN A2001 -0.232 -8.186 13.015 1.00 0.00 H new ATOM 0 HE22 GLN A2001 0.297 -7.186 14.373 1.00 0.00 H new ATOM 1024 N THR A2002 -2.494 -5.320 7.955 1.00 0.00 N ATOM 1025 CA THR A2002 -3.625 -4.581 7.457 1.00 0.00 C ATOM 1026 C THR A2002 -4.604 -5.485 6.704 1.00 0.00 C ATOM 1027 O THR A2002 -5.801 -5.490 6.998 1.00 0.00 O ATOM 1028 CB THR A2002 -3.131 -3.435 6.563 1.00 0.00 C ATOM 1029 OG1 THR A2002 -2.298 -2.543 7.277 1.00 0.00 O ATOM 1030 CG2 THR A2002 -4.295 -2.620 6.012 1.00 0.00 C ATOM 0 H THR A2002 -1.614 -5.115 7.481 1.00 0.00 H new ATOM 0 HA THR A2002 -4.169 -4.165 8.305 1.00 0.00 H new ATOM 0 HB THR A2002 -2.575 -3.904 5.751 1.00 0.00 H new ATOM 0 HG1 THR A2002 -1.363 -2.822 7.183 1.00 0.00 H new ATOM 0 HG21 THR A2002 -3.911 -1.817 5.383 1.00 0.00 H new ATOM 0 HG22 THR A2002 -4.943 -3.266 5.420 1.00 0.00 H new ATOM 0 HG23 THR A2002 -4.864 -2.194 6.838 1.00 0.00 H new ATOM 1038 N TYR A2003 -4.096 -6.255 5.741 1.00 0.00 N ATOM 1039 CA TYR A2003 -4.902 -7.123 4.896 1.00 0.00 C ATOM 1040 C TYR A2003 -4.852 -8.592 5.317 1.00 0.00 C ATOM 1041 O TYR A2003 -5.366 -9.446 4.603 1.00 0.00 O ATOM 1042 CB TYR A2003 -4.489 -6.899 3.438 1.00 0.00 C ATOM 1043 CG TYR A2003 -4.242 -5.452 3.051 1.00 0.00 C ATOM 1044 CD1 TYR A2003 -5.308 -4.541 2.938 1.00 0.00 C ATOM 1045 CD2 TYR A2003 -2.914 -5.000 2.923 1.00 0.00 C ATOM 1046 CE1 TYR A2003 -5.045 -3.171 2.752 1.00 0.00 C ATOM 1047 CE2 TYR A2003 -2.641 -3.637 2.749 1.00 0.00 C ATOM 1048 CZ TYR A2003 -3.705 -2.716 2.696 1.00 0.00 C ATOM 1049 OH TYR A2003 -3.421 -1.394 2.571 1.00 0.00 O ATOM 0 H TYR A2003 -3.099 -6.290 5.527 1.00 0.00 H new ATOM 0 HA TYR A2003 -5.952 -6.856 5.013 1.00 0.00 H new ATOM 0 HB2 TYR A2003 -3.582 -7.471 3.242 1.00 0.00 H new ATOM 0 HB3 TYR A2003 -5.267 -7.304 2.791 1.00 0.00 H new ATOM 0 HD1 TYR A2003 -6.328 -4.893 2.994 1.00 0.00 H new ATOM 0 HD2 TYR A2003 -2.100 -5.709 2.959 1.00 0.00 H new ATOM 0 HE1 TYR A2003 -5.861 -2.470 2.652 1.00 0.00 H new ATOM 0 HE2 TYR A2003 -1.621 -3.295 2.656 1.00 0.00 H new ATOM 0 HH TYR A2003 -2.474 -1.242 2.773 1.00 0.00 H new ATOM 1059 N ASN A2004 -4.239 -8.880 6.469 1.00 0.00 N ATOM 1060 CA ASN A2004 -4.070 -10.198 7.079 1.00 0.00 C ATOM 1061 C ASN A2004 -3.400 -11.195 6.130 1.00 0.00 C ATOM 1062 O ASN A2004 -3.959 -12.239 5.816 1.00 0.00 O ATOM 1063 CB ASN A2004 -5.455 -10.641 7.553 1.00 0.00 C ATOM 1064 CG ASN A2004 -5.399 -11.874 8.444 1.00 0.00 C ATOM 1065 OD1 ASN A2004 -4.454 -12.048 9.215 1.00 0.00 O ATOM 1066 ND2 ASN A2004 -6.422 -12.706 8.416 1.00 0.00 N ATOM 0 H ASN A2004 -3.819 -8.145 7.038 1.00 0.00 H new ATOM 0 HA ASN A2004 -3.388 -10.152 7.928 1.00 0.00 H new ATOM 0 HB2 ASN A2004 -5.928 -9.824 8.098 1.00 0.00 H new ATOM 0 HB3 ASN A2004 -6.082 -10.851 6.687 1.00 0.00 H new ATOM 0 HD21 ASN A2004 -6.441 -13.512 9.041 1.00 0.00 H new ATOM 0 HD22 ASN A2004 -7.194 -12.543 7.770 1.00 0.00 H new ATOM 1073 N LEU A2005 -2.186 -10.875 5.678 1.00 0.00 N ATOM 1074 CA LEU A2005 -1.382 -11.639 4.716 1.00 0.00 C ATOM 1075 C LEU A2005 -0.019 -12.062 5.251 1.00 0.00 C ATOM 1076 O LEU A2005 0.257 -11.969 6.445 1.00 0.00 O ATOM 1077 CB LEU A2005 -1.114 -10.755 3.480 1.00 0.00 C ATOM 1078 CG LEU A2005 -2.267 -9.877 3.015 1.00 0.00 C ATOM 1079 CD1 LEU A2005 -1.745 -8.959 1.932 1.00 0.00 C ATOM 1080 CD2 LEU A2005 -3.466 -10.687 2.543 1.00 0.00 C ATOM 0 H LEU A2005 -1.709 -10.029 5.989 1.00 0.00 H new ATOM 0 HA LEU A2005 -1.955 -12.538 4.490 1.00 0.00 H new ATOM 0 HB2 LEU A2005 -0.261 -10.112 3.698 1.00 0.00 H new ATOM 0 HB3 LEU A2005 -0.822 -11.403 2.653 1.00 0.00 H new ATOM 0 HG LEU A2005 -2.635 -9.290 3.857 1.00 0.00 H new ATOM 0 HD11 LEU A2005 -2.552 -8.317 1.579 1.00 0.00 H new ATOM 0 HD12 LEU A2005 -0.940 -8.343 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A2005 -1.366 -9.555 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A2005 -4.259 -10.011 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A2005 -3.170 -11.321 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A2005 -3.829 -11.310 3.361 1.00 0.00 H new ATOM 1092 N ASN A2006 0.837 -12.548 4.349 1.00 0.00 N ATOM 1093 CA ASN A2006 2.198 -12.968 4.613 1.00 0.00 C ATOM 1094 C ASN A2006 3.044 -12.495 3.428 1.00 0.00 C ATOM 1095 O ASN A2006 2.862 -12.942 2.294 1.00 0.00 O ATOM 1096 CB ASN A2006 2.295 -14.474 4.863 1.00 0.00 C ATOM 1097 CG ASN A2006 2.247 -15.347 3.617 1.00 0.00 C ATOM 1098 OD1 ASN A2006 3.269 -15.886 3.199 1.00 0.00 O ATOM 1099 ND2 ASN A2006 1.081 -15.525 3.029 1.00 0.00 N ATOM 0 H ASN A2006 0.578 -12.661 3.369 1.00 0.00 H new ATOM 0 HA ASN A2006 2.573 -12.520 5.533 1.00 0.00 H new ATOM 0 HB2 ASN A2006 3.225 -14.678 5.393 1.00 0.00 H new ATOM 0 HB3 ASN A2006 1.480 -14.769 5.524 1.00 0.00 H new ATOM 0 HD21 ASN A2006 1.011 -16.123 2.205 1.00 0.00 H new ATOM 0 HD22 ASN A2006 0.248 -15.065 3.398 1.00 0.00 H new ATOM 1106 N LEU A2007 3.957 -11.560 3.687 1.00 0.00 N ATOM 1107 CA LEU A2007 4.862 -10.955 2.709 1.00 0.00 C ATOM 1108 C LEU A2007 6.188 -10.648 3.383 1.00 0.00 C ATOM 1109 O LEU A2007 6.288 -10.707 4.613 1.00 0.00 O ATOM 1110 CB LEU A2007 4.280 -9.640 2.161 1.00 0.00 C ATOM 1111 CG LEU A2007 2.874 -9.749 1.538 1.00 0.00 C ATOM 1112 CD1 LEU A2007 2.279 -8.356 1.385 1.00 0.00 C ATOM 1113 CD2 LEU A2007 2.900 -10.513 0.222 1.00 0.00 C ATOM 0 H LEU A2007 4.093 -11.186 4.626 1.00 0.00 H new ATOM 0 HA LEU A2007 4.997 -11.656 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A2007 4.244 -8.912 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A2007 4.963 -9.246 1.409 1.00 0.00 H new ATOM 0 HG LEU A2007 2.233 -10.325 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A2007 1.285 -8.431 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A2007 2.207 -7.881 2.364 1.00 0.00 H new ATOM 0 HD13 LEU A2007 2.918 -7.756 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A2007 1.891 -10.569 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A2007 3.550 -9.997 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU A2007 3.278 -11.521 0.394 1.00 0.00 H new ATOM 1125 N LYS A2008 7.224 -10.358 2.588 1.00 0.00 N ATOM 1126 CA LYS A2008 8.563 -10.051 3.076 1.00 0.00 C ATOM 1127 C LYS A2008 9.167 -8.879 2.324 1.00 0.00 C ATOM 1128 O LYS A2008 8.506 -8.302 1.456 1.00 0.00 O ATOM 1129 CB LYS A2008 9.410 -11.318 3.081 1.00 0.00 C ATOM 1130 CG LYS A2008 9.697 -11.968 1.732 1.00 0.00 C ATOM 1131 CD LYS A2008 11.177 -11.938 1.348 1.00 0.00 C ATOM 1132 CE LYS A2008 12.036 -12.702 2.346 1.00 0.00 C ATOM 1133 NZ LYS A2008 13.327 -13.097 1.750 1.00 0.00 N ATOM 0 H LYS A2008 7.149 -10.331 1.571 1.00 0.00 H new ATOM 0 HA LYS A2008 8.519 -9.713 4.111 1.00 0.00 H new ATOM 0 HB2 LYS A2008 10.364 -11.085 3.554 1.00 0.00 H new ATOM 0 HB3 LYS A2008 8.913 -12.055 3.712 1.00 0.00 H new ATOM 0 HG2 LYS A2008 9.356 -13.003 1.755 1.00 0.00 H new ATOM 0 HG3 LYS A2008 9.118 -11.459 0.961 1.00 0.00 H new ATOM 0 HD2 LYS A2008 11.304 -12.369 0.355 1.00 0.00 H new ATOM 0 HD3 LYS A2008 11.517 -10.904 1.292 1.00 0.00 H new ATOM 0 HE2 LYS A2008 12.213 -12.083 3.225 1.00 0.00 H new ATOM 0 HE3 LYS A2008 11.502 -13.590 2.684 1.00 0.00 H new ATOM 0 HZ1 LYS A2008 13.890 -13.616 2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A2008 13.156 -13.707 0.925 1.00 0.00 H new ATOM 0 HZ3 LYS A2008 13.846 -12.247 1.450 1.00 0.00 H new ATOM 1147 N ALA A2009 10.426 -8.550 2.609 1.00 0.00 N ATOM 1148 CA ALA A2009 11.115 -7.436 1.974 1.00 0.00 C ATOM 1149 C ALA A2009 11.189 -7.541 0.453 1.00 0.00 C ATOM 1150 O ALA A2009 11.187 -6.524 -0.230 1.00 0.00 O ATOM 1151 CB ALA A2009 12.520 -7.299 2.536 1.00 0.00 C ATOM 0 H ALA A2009 10.996 -9.053 3.290 1.00 0.00 H new ATOM 0 HA ALA A2009 10.520 -6.551 2.200 1.00 0.00 H new ATOM 0 HB1 ALA A2009 13.025 -6.462 2.053 1.00 0.00 H new ATOM 0 HB2 ALA A2009 12.466 -7.120 3.610 1.00 0.00 H new ATOM 0 HB3 ALA A2009 13.078 -8.217 2.349 1.00 0.00 H new ATOM 1157 N THR A2010 11.204 -8.756 -0.094 1.00 0.00 N ATOM 1158 CA THR A2010 11.278 -8.961 -1.532 1.00 0.00 C ATOM 1159 C THR A2010 10.099 -8.270 -2.229 1.00 0.00 C ATOM 1160 O THR A2010 10.256 -7.845 -3.367 1.00 0.00 O ATOM 1161 CB THR A2010 11.430 -10.463 -1.826 1.00 0.00 C ATOM 1162 OG1 THR A2010 12.061 -10.736 -3.050 1.00 0.00 O ATOM 1163 CG2 THR A2010 10.090 -11.193 -1.817 1.00 0.00 C ATOM 0 H THR A2010 11.165 -9.619 0.448 1.00 0.00 H new ATOM 0 HA THR A2010 12.164 -8.487 -1.954 1.00 0.00 H new ATOM 0 HB THR A2010 12.063 -10.827 -1.017 1.00 0.00 H new ATOM 0 HG1 THR A2010 12.128 -11.706 -3.175 1.00 0.00 H new ATOM 0 HG21 THR A2010 10.250 -12.250 -2.030 1.00 0.00 H new ATOM 0 HG22 THR A2010 9.624 -11.086 -0.837 1.00 0.00 H new ATOM 0 HG23 THR A2010 9.437 -10.765 -2.578 1.00 0.00 H new ATOM 1171 N LYS A2011 8.937 -8.101 -1.569 1.00 0.00 N ATOM 1172 CA LYS A2011 7.818 -7.412 -2.213 1.00 0.00 C ATOM 1173 C LYS A2011 8.203 -6.005 -2.624 1.00 0.00 C ATOM 1174 O LYS A2011 7.851 -5.581 -3.718 1.00 0.00 O ATOM 1175 CB LYS A2011 6.621 -7.286 -1.281 1.00 0.00 C ATOM 1176 CG LYS A2011 5.772 -8.536 -1.213 1.00 0.00 C ATOM 1177 CD LYS A2011 5.171 -8.865 -2.584 1.00 0.00 C ATOM 1178 CE LYS A2011 5.915 -10.054 -3.170 1.00 0.00 C ATOM 1179 NZ LYS A2011 5.558 -10.436 -4.555 1.00 0.00 N ATOM 0 H LYS A2011 8.757 -8.424 -0.618 1.00 0.00 H new ATOM 0 HA LYS A2011 7.559 -8.014 -3.084 1.00 0.00 H new ATOM 0 HB2 LYS A2011 6.975 -7.043 -0.279 1.00 0.00 H new ATOM 0 HB3 LYS A2011 6.000 -6.453 -1.611 1.00 0.00 H new ATOM 0 HG2 LYS A2011 6.378 -9.373 -0.867 1.00 0.00 H new ATOM 0 HG3 LYS A2011 4.973 -8.398 -0.485 1.00 0.00 H new ATOM 0 HD2 LYS A2011 4.110 -9.094 -2.486 1.00 0.00 H new ATOM 0 HD3 LYS A2011 5.251 -8.004 -3.248 1.00 0.00 H new ATOM 0 HE2 LYS A2011 6.983 -9.838 -3.140 1.00 0.00 H new ATOM 0 HE3 LYS A2011 5.746 -10.915 -2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A2011 6.359 -10.933 -4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A2011 4.728 -11.062 -4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A2011 5.336 -9.581 -5.105 1.00 0.00 H new ATOM 1193 N LEU A2012 8.916 -5.301 -1.750 1.00 0.00 N ATOM 1194 CA LEU A2012 9.358 -3.930 -1.996 1.00 0.00 C ATOM 1195 C LEU A2012 10.295 -3.860 -3.207 1.00 0.00 C ATOM 1196 O LEU A2012 10.418 -2.804 -3.828 1.00 0.00 O ATOM 1197 CB LEU A2012 10.013 -3.362 -0.719 1.00 0.00 C ATOM 1198 CG LEU A2012 9.016 -2.766 0.298 1.00 0.00 C ATOM 1199 CD1 LEU A2012 8.516 -1.421 -0.243 1.00 0.00 C ATOM 1200 CD2 LEU A2012 7.853 -3.713 0.649 1.00 0.00 C ATOM 0 H LEU A2012 9.206 -5.668 -0.844 1.00 0.00 H new ATOM 0 HA LEU A2012 8.494 -3.312 -2.238 1.00 0.00 H new ATOM 0 HB2 LEU A2012 10.579 -4.156 -0.232 1.00 0.00 H new ATOM 0 HB3 LEU A2012 10.727 -2.590 -1.004 1.00 0.00 H new ATOM 0 HG LEU A2012 9.540 -2.617 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A2012 7.810 -0.985 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A2012 9.361 -0.745 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A2012 8.021 -1.576 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU A2012 7.193 -3.228 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A2012 7.292 -3.951 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A2012 8.250 -4.631 1.082 1.00 0.00 H new ATOM 1212 N TYR A2013 10.957 -4.969 -3.546 1.00 0.00 N ATOM 1213 CA TYR A2013 11.865 -5.067 -4.675 1.00 0.00 C ATOM 1214 C TYR A2013 11.136 -5.516 -5.939 1.00 0.00 C ATOM 1215 O TYR A2013 11.552 -5.160 -7.044 1.00 0.00 O ATOM 1216 CB TYR A2013 12.964 -6.078 -4.347 1.00 0.00 C ATOM 1217 CG TYR A2013 14.137 -6.014 -5.304 1.00 0.00 C ATOM 1218 CD1 TYR A2013 14.151 -6.797 -6.475 1.00 0.00 C ATOM 1219 CD2 TYR A2013 15.183 -5.109 -5.052 1.00 0.00 C ATOM 1220 CE1 TYR A2013 15.196 -6.656 -7.404 1.00 0.00 C ATOM 1221 CE2 TYR A2013 16.229 -4.961 -5.977 1.00 0.00 C ATOM 1222 CZ TYR A2013 16.235 -5.730 -7.160 1.00 0.00 C ATOM 1223 OH TYR A2013 17.239 -5.566 -8.062 1.00 0.00 O ATOM 0 H TYR A2013 10.869 -5.842 -3.025 1.00 0.00 H new ATOM 0 HA TYR A2013 12.292 -4.081 -4.857 1.00 0.00 H new ATOM 0 HB2 TYR A2013 13.321 -5.901 -3.332 1.00 0.00 H new ATOM 0 HB3 TYR A2013 12.542 -7.083 -4.366 1.00 0.00 H new ATOM 0 HD1 TYR A2013 13.358 -7.506 -6.659 1.00 0.00 H new ATOM 0 HD2 TYR A2013 15.182 -4.525 -4.143 1.00 0.00 H new ATOM 0 HE1 TYR A2013 15.205 -7.254 -8.303 1.00 0.00 H new ATOM 0 HE2 TYR A2013 17.027 -4.260 -5.783 1.00 0.00 H new ATOM 0 HH TYR A2013 17.867 -4.889 -7.733 1.00 0.00 H new ATOM 1233 N ASP A2014 10.088 -6.330 -5.798 1.00 0.00 N ATOM 1234 CA ASP A2014 9.319 -6.831 -6.921 1.00 0.00 C ATOM 1235 C ASP A2014 8.381 -5.746 -7.413 1.00 0.00 C ATOM 1236 O ASP A2014 8.206 -5.599 -8.618 1.00 0.00 O ATOM 1237 CB ASP A2014 8.517 -8.064 -6.482 1.00 0.00 C ATOM 1238 CG ASP A2014 8.847 -9.262 -7.359 1.00 0.00 C ATOM 1239 OD1 ASP A2014 8.266 -9.397 -8.458 1.00 0.00 O ATOM 1240 OD2 ASP A2014 9.654 -10.107 -6.904 1.00 0.00 O ATOM 0 H ASP A2014 9.753 -6.658 -4.892 1.00 0.00 H new ATOM 0 HA ASP A2014 9.991 -7.115 -7.731 1.00 0.00 H new ATOM 0 HB2 ASP A2014 8.740 -8.297 -5.441 1.00 0.00 H new ATOM 0 HB3 ASP A2014 7.450 -7.849 -6.539 1.00 0.00 H new ATOM 1245 N TYR A2015 7.812 -4.973 -6.484 1.00 0.00 N ATOM 1246 CA TYR A2015 6.872 -3.903 -6.752 1.00 0.00 C ATOM 1247 C TYR A2015 7.287 -2.642 -5.984 1.00 0.00 C ATOM 1248 O TYR A2015 6.769 -2.374 -4.897 1.00 0.00 O ATOM 1249 CB TYR A2015 5.448 -4.348 -6.389 1.00 0.00 C ATOM 1250 CG TYR A2015 5.075 -5.783 -6.691 1.00 0.00 C ATOM 1251 CD1 TYR A2015 5.292 -6.327 -7.969 1.00 0.00 C ATOM 1252 CD2 TYR A2015 4.566 -6.591 -5.660 1.00 0.00 C ATOM 1253 CE1 TYR A2015 5.065 -7.695 -8.195 1.00 0.00 C ATOM 1254 CE2 TYR A2015 4.245 -7.926 -5.907 1.00 0.00 C ATOM 1255 CZ TYR A2015 4.512 -8.493 -7.167 1.00 0.00 C ATOM 1256 OH TYR A2015 4.307 -9.824 -7.335 1.00 0.00 O ATOM 0 H TYR A2015 8.007 -5.087 -5.489 1.00 0.00 H new ATOM 0 HA TYR A2015 6.881 -3.665 -7.816 1.00 0.00 H new ATOM 0 HB2 TYR A2015 5.302 -4.178 -5.322 1.00 0.00 H new ATOM 0 HB3 TYR A2015 4.747 -3.699 -6.914 1.00 0.00 H new ATOM 0 HD1 TYR A2015 5.633 -5.695 -8.776 1.00 0.00 H new ATOM 0 HD2 TYR A2015 4.423 -6.177 -4.673 1.00 0.00 H new ATOM 0 HE1 TYR A2015 5.312 -8.135 -9.150 1.00 0.00 H new ATOM 0 HE2 TYR A2015 3.791 -8.525 -5.131 1.00 0.00 H new ATOM 0 HH TYR A2015 3.920 -10.201 -6.517 1.00 0.00 H new ATOM 1266 N PRO A2016 8.224 -1.846 -6.512 1.00 0.00 N ATOM 1267 CA PRO A2016 8.662 -0.619 -5.859 1.00 0.00 C ATOM 1268 C PRO A2016 7.591 0.483 -5.927 1.00 0.00 C ATOM 1269 O PRO A2016 7.879 1.575 -5.449 1.00 0.00 O ATOM 1270 CB PRO A2016 9.949 -0.230 -6.592 1.00 0.00 C ATOM 1271 CG PRO A2016 9.712 -0.756 -8.005 1.00 0.00 C ATOM 1272 CD PRO A2016 8.930 -2.043 -7.772 1.00 0.00 C ATOM 0 HA PRO A2016 8.834 -0.760 -4.792 1.00 0.00 H new ATOM 0 HB2 PRO A2016 10.108 0.848 -6.584 1.00 0.00 H new ATOM 0 HB3 PRO A2016 10.827 -0.685 -6.134 1.00 0.00 H new ATOM 0 HG2 PRO A2016 9.148 -0.046 -8.609 1.00 0.00 H new ATOM 0 HG3 PRO A2016 10.650 -0.944 -8.527 1.00 0.00 H new ATOM 0 HD2 PRO A2016 8.232 -2.231 -8.588 1.00 0.00 H new ATOM 0 HD3 PRO A2016 9.597 -2.903 -7.718 1.00 0.00 H new ATOM 1280 N THR A2017 6.401 0.267 -6.509 1.00 0.00 N ATOM 1281 CA THR A2017 5.340 1.270 -6.584 1.00 0.00 C ATOM 1282 C THR A2017 4.027 0.668 -6.072 1.00 0.00 C ATOM 1283 O THR A2017 3.836 -0.547 -6.057 1.00 0.00 O ATOM 1284 CB THR A2017 5.189 1.853 -7.994 1.00 0.00 C ATOM 1285 OG1 THR A2017 4.518 0.970 -8.858 1.00 0.00 O ATOM 1286 CG2 THR A2017 6.495 2.195 -8.699 1.00 0.00 C ATOM 0 H THR A2017 6.151 -0.621 -6.944 1.00 0.00 H new ATOM 0 HA THR A2017 5.615 2.108 -5.943 1.00 0.00 H new ATOM 0 HB THR A2017 4.629 2.770 -7.809 1.00 0.00 H new ATOM 0 HG1 THR A2017 5.165 0.360 -9.269 1.00 0.00 H new ATOM 0 HG21 THR A2017 6.280 2.600 -9.688 1.00 0.00 H new ATOM 0 HG22 THR A2017 7.041 2.936 -8.115 1.00 0.00 H new ATOM 0 HG23 THR A2017 7.101 1.294 -8.800 1.00 0.00 H new ATOM 1294 N LEU A2018 3.089 1.515 -5.650 1.00 0.00 N ATOM 1295 CA LEU A2018 1.783 1.123 -5.108 1.00 0.00 C ATOM 1296 C LEU A2018 0.933 0.417 -6.139 1.00 0.00 C ATOM 1297 O LEU A2018 0.210 -0.505 -5.779 1.00 0.00 O ATOM 1298 CB LEU A2018 0.993 2.374 -4.691 1.00 0.00 C ATOM 1299 CG LEU A2018 1.775 3.278 -3.743 1.00 0.00 C ATOM 1300 CD1 LEU A2018 1.059 4.592 -3.542 1.00 0.00 C ATOM 1301 CD2 LEU A2018 1.927 2.607 -2.383 1.00 0.00 C ATOM 0 H LEU A2018 3.219 2.526 -5.676 1.00 0.00 H new ATOM 0 HA LEU A2018 1.984 0.461 -4.266 1.00 0.00 H new ATOM 0 HB2 LEU A2018 0.720 2.939 -5.582 1.00 0.00 H new ATOM 0 HB3 LEU A2018 0.064 2.068 -4.210 1.00 0.00 H new ATOM 0 HG LEU A2018 2.753 3.457 -4.189 1.00 0.00 H new ATOM 0 HD11 LEU A2018 1.635 5.220 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU A2018 0.952 5.098 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A2018 0.072 4.407 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A2018 2.487 3.262 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A2018 0.941 2.414 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A2018 2.462 1.665 -2.500 1.00 0.00 H new ATOM 1313 N LEU A2019 0.986 0.863 -7.394 1.00 0.00 N ATOM 1314 CA LEU A2019 0.201 0.291 -8.482 1.00 0.00 C ATOM 1315 C LEU A2019 0.373 -1.230 -8.549 1.00 0.00 C ATOM 1316 O LEU A2019 -0.618 -1.960 -8.509 1.00 0.00 O ATOM 1317 CB LEU A2019 0.589 0.991 -9.798 1.00 0.00 C ATOM 1318 CG LEU A2019 0.052 2.424 -9.912 1.00 0.00 C ATOM 1319 CD1 LEU A2019 0.740 3.150 -11.067 1.00 0.00 C ATOM 1320 CD2 LEU A2019 -1.465 2.485 -10.097 1.00 0.00 C ATOM 0 H LEU A2019 1.581 1.639 -7.684 1.00 0.00 H new ATOM 0 HA LEU A2019 -0.860 0.463 -8.303 1.00 0.00 H new ATOM 0 HB2 LEU A2019 1.676 1.011 -9.883 1.00 0.00 H new ATOM 0 HB3 LEU A2019 0.215 0.404 -10.636 1.00 0.00 H new ATOM 0 HG LEU A2019 0.278 2.917 -8.967 1.00 0.00 H new ATOM 0 HD11 LEU A2019 0.353 4.166 -11.140 1.00 0.00 H new ATOM 0 HD12 LEU A2019 1.815 3.183 -10.887 1.00 0.00 H new ATOM 0 HD13 LEU A2019 0.544 2.619 -11.999 1.00 0.00 H new ATOM 0 HD21 LEU A2019 -1.781 3.526 -10.171 1.00 0.00 H new ATOM 0 HD22 LEU A2019 -1.742 1.956 -11.009 1.00 0.00 H new ATOM 0 HD23 LEU A2019 -1.955 2.017 -9.243 1.00 0.00 H new ATOM 1332 N GLU A2020 1.613 -1.696 -8.651 1.00 0.00 N ATOM 1333 CA GLU A2020 1.991 -3.111 -8.715 1.00 0.00 C ATOM 1334 C GLU A2020 1.888 -3.772 -7.338 1.00 0.00 C ATOM 1335 O GLU A2020 1.389 -4.893 -7.244 1.00 0.00 O ATOM 1336 CB GLU A2020 3.379 -3.300 -9.367 1.00 0.00 C ATOM 1337 CG GLU A2020 4.283 -2.083 -9.152 1.00 0.00 C ATOM 1338 CD GLU A2020 5.680 -2.120 -9.739 1.00 0.00 C ATOM 1339 OE1 GLU A2020 6.120 -3.182 -10.224 1.00 0.00 O ATOM 1340 OE2 GLU A2020 6.284 -1.023 -9.707 1.00 0.00 O ATOM 0 H GLU A2020 2.420 -1.074 -8.693 1.00 0.00 H new ATOM 0 HA GLU A2020 1.279 -3.622 -9.363 1.00 0.00 H new ATOM 0 HB2 GLU A2020 3.858 -4.186 -8.950 1.00 0.00 H new ATOM 0 HB3 GLU A2020 3.257 -3.477 -10.436 1.00 0.00 H new ATOM 0 HG2 GLU A2020 3.772 -1.211 -9.561 1.00 0.00 H new ATOM 0 HG3 GLU A2020 4.377 -1.922 -8.078 1.00 0.00 H new ATOM 1347 N LEU A2021 2.283 -3.077 -6.257 1.00 0.00 N ATOM 1348 CA LEU A2021 2.216 -3.620 -4.897 1.00 0.00 C ATOM 1349 C LEU A2021 0.786 -4.070 -4.623 1.00 0.00 C ATOM 1350 O LEU A2021 0.554 -5.209 -4.216 1.00 0.00 O ATOM 1351 CB LEU A2021 2.659 -2.584 -3.858 1.00 0.00 C ATOM 1352 CG LEU A2021 3.102 -3.250 -2.539 1.00 0.00 C ATOM 1353 CD1 LEU A2021 4.601 -3.536 -2.561 1.00 0.00 C ATOM 1354 CD2 LEU A2021 2.841 -2.315 -1.368 1.00 0.00 C ATOM 0 H LEU A2021 2.655 -2.129 -6.305 1.00 0.00 H new ATOM 0 HA LEU A2021 2.897 -4.467 -4.818 1.00 0.00 H new ATOM 0 HB2 LEU A2021 3.482 -1.993 -4.261 1.00 0.00 H new ATOM 0 HB3 LEU A2021 1.839 -1.894 -3.660 1.00 0.00 H new ATOM 0 HG LEU A2021 2.538 -4.176 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A2021 4.896 -4.006 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A2021 4.832 -4.205 -3.390 1.00 0.00 H new ATOM 0 HD13 LEU A2021 5.148 -2.601 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A2021 3.157 -2.795 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A2021 3.402 -1.391 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A2021 1.776 -2.088 -1.314 1.00 0.00 H new ATOM 1366 N SER A2022 -0.157 -3.159 -4.872 1.00 0.00 N ATOM 1367 CA SER A2022 -1.577 -3.357 -4.705 1.00 0.00 C ATOM 1368 C SER A2022 -2.077 -4.435 -5.682 1.00 0.00 C ATOM 1369 O SER A2022 -3.002 -5.182 -5.368 1.00 0.00 O ATOM 1370 CB SER A2022 -2.286 -2.007 -4.938 1.00 0.00 C ATOM 1371 OG SER A2022 -3.533 -1.909 -4.277 1.00 0.00 O ATOM 0 H SER A2022 0.071 -2.224 -5.211 1.00 0.00 H new ATOM 0 HA SER A2022 -1.800 -3.705 -3.696 1.00 0.00 H new ATOM 0 HB2 SER A2022 -1.637 -1.200 -4.597 1.00 0.00 H new ATOM 0 HB3 SER A2022 -2.437 -1.864 -6.008 1.00 0.00 H new ATOM 0 HG SER A2022 -4.216 -1.605 -4.910 1.00 0.00 H new ATOM 1377 N GLY A2023 -1.491 -4.520 -6.872 1.00 0.00 N ATOM 1378 CA GLY A2023 -1.855 -5.482 -7.901 1.00 0.00 C ATOM 1379 C GLY A2023 -1.781 -6.899 -7.349 1.00 0.00 C ATOM 1380 O GLY A2023 -2.690 -7.701 -7.587 1.00 0.00 O ATOM 0 H GLY A2023 -0.729 -3.903 -7.153 1.00 0.00 H new ATOM 0 HA2 GLY A2023 -2.863 -5.277 -8.260 1.00 0.00 H new ATOM 0 HA3 GLY A2023 -1.186 -5.382 -8.755 1.00 0.00 H new ATOM 1384 N TYR A2024 -0.731 -7.197 -6.577 1.00 0.00 N ATOM 1385 CA TYR A2024 -0.556 -8.506 -5.973 1.00 0.00 C ATOM 1386 C TYR A2024 -1.449 -8.653 -4.738 1.00 0.00 C ATOM 1387 O TYR A2024 -2.291 -9.548 -4.716 1.00 0.00 O ATOM 1388 CB TYR A2024 0.922 -8.749 -5.630 1.00 0.00 C ATOM 1389 CG TYR A2024 1.243 -10.113 -5.029 1.00 0.00 C ATOM 1390 CD1 TYR A2024 0.759 -11.293 -5.629 1.00 0.00 C ATOM 1391 CD2 TYR A2024 2.044 -10.213 -3.873 1.00 0.00 C ATOM 1392 CE1 TYR A2024 1.069 -12.553 -5.087 1.00 0.00 C ATOM 1393 CE2 TYR A2024 2.370 -11.469 -3.330 1.00 0.00 C ATOM 1394 CZ TYR A2024 1.872 -12.645 -3.929 1.00 0.00 C ATOM 1395 OH TYR A2024 2.160 -13.860 -3.391 1.00 0.00 O ATOM 0 H TYR A2024 0.014 -6.536 -6.359 1.00 0.00 H new ATOM 0 HA TYR A2024 -0.859 -9.266 -6.694 1.00 0.00 H new ATOM 0 HB2 TYR A2024 1.512 -8.624 -6.538 1.00 0.00 H new ATOM 0 HB3 TYR A2024 1.246 -7.978 -4.930 1.00 0.00 H new ATOM 0 HD1 TYR A2024 0.144 -11.229 -6.514 1.00 0.00 H new ATOM 0 HD2 TYR A2024 2.412 -9.315 -3.399 1.00 0.00 H new ATOM 0 HE1 TYR A2024 0.693 -13.450 -5.556 1.00 0.00 H new ATOM 0 HE2 TYR A2024 3.001 -11.533 -2.456 1.00 0.00 H new ATOM 0 HH TYR A2024 2.724 -13.741 -2.598 1.00 0.00 H new ATOM 1405 N ILE A2025 -1.353 -7.737 -3.762 1.00 0.00 N ATOM 1406 CA ILE A2025 -2.106 -7.774 -2.499 1.00 0.00 C ATOM 1407 C ILE A2025 -3.596 -7.996 -2.697 1.00 0.00 C ATOM 1408 O ILE A2025 -4.155 -8.882 -2.051 1.00 0.00 O ATOM 1409 CB ILE A2025 -1.883 -6.463 -1.696 1.00 0.00 C ATOM 1410 CG1 ILE A2025 -0.423 -6.344 -1.231 1.00 0.00 C ATOM 1411 CG2 ILE A2025 -2.889 -6.344 -0.530 1.00 0.00 C ATOM 1412 CD1 ILE A2025 -0.149 -5.088 -0.395 1.00 0.00 C ATOM 0 H ILE A2025 -0.734 -6.930 -3.831 1.00 0.00 H new ATOM 0 HA ILE A2025 -1.722 -8.628 -1.941 1.00 0.00 H new ATOM 0 HB ILE A2025 -2.073 -5.618 -2.358 1.00 0.00 H new ATOM 0 HG12 ILE A2025 -0.164 -7.225 -0.644 1.00 0.00 H new ATOM 0 HG13 ILE A2025 0.229 -6.339 -2.104 1.00 0.00 H new ATOM 0 HG21 ILE A2025 -2.708 -5.417 0.013 1.00 0.00 H new ATOM 0 HG22 ILE A2025 -3.905 -6.341 -0.925 1.00 0.00 H new ATOM 0 HG23 ILE A2025 -2.765 -7.190 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A2025 0.900 -5.069 -0.101 1.00 0.00 H new ATOM 0 HD12 ILE A2025 -0.377 -4.201 -0.986 1.00 0.00 H new ATOM 0 HD13 ILE A2025 -0.776 -5.101 0.497 1.00 0.00 H new ATOM 1424 N ALA A2026 -4.215 -7.214 -3.576 1.00 0.00 N ATOM 1425 CA ALA A2026 -5.637 -7.284 -3.846 1.00 0.00 C ATOM 1426 C ALA A2026 -6.067 -8.698 -4.202 1.00 0.00 C ATOM 1427 O ALA A2026 -7.161 -9.106 -3.840 1.00 0.00 O ATOM 1428 CB ALA A2026 -5.981 -6.287 -4.958 1.00 0.00 C ATOM 0 H ALA A2026 -3.731 -6.505 -4.126 1.00 0.00 H new ATOM 0 HA ALA A2026 -6.189 -7.015 -2.945 1.00 0.00 H new ATOM 0 HB1 ALA A2026 -7.049 -6.332 -5.169 1.00 0.00 H new ATOM 0 HB2 ALA A2026 -5.716 -5.279 -4.638 1.00 0.00 H new ATOM 0 HB3 ALA A2026 -5.422 -6.540 -5.859 1.00 0.00 H new ATOM 1434 N GLN A2027 -5.230 -9.435 -4.925 1.00 0.00 N ATOM 1435 CA GLN A2027 -5.531 -10.801 -5.323 1.00 0.00 C ATOM 1436 C GLN A2027 -5.336 -11.766 -4.153 1.00 0.00 C ATOM 1437 O GLN A2027 -6.075 -12.743 -4.056 1.00 0.00 O ATOM 1438 CB GLN A2027 -4.683 -11.205 -6.537 1.00 0.00 C ATOM 1439 CG GLN A2027 -4.929 -10.268 -7.727 1.00 0.00 C ATOM 1440 CD GLN A2027 -4.201 -10.751 -8.974 1.00 0.00 C ATOM 1441 OE1 GLN A2027 -4.660 -11.668 -9.648 1.00 0.00 O ATOM 1442 NE2 GLN A2027 -3.062 -10.153 -9.292 1.00 0.00 N ATOM 0 H GLN A2027 -4.324 -9.099 -5.251 1.00 0.00 H new ATOM 0 HA GLN A2027 -6.580 -10.854 -5.616 1.00 0.00 H new ATOM 0 HB2 GLN A2027 -3.627 -11.185 -6.268 1.00 0.00 H new ATOM 0 HB3 GLN A2027 -4.920 -12.230 -6.824 1.00 0.00 H new ATOM 0 HG2 GLN A2027 -5.998 -10.207 -7.929 1.00 0.00 H new ATOM 0 HG3 GLN A2027 -4.594 -9.262 -7.475 1.00 0.00 H new ATOM 0 HE21 GLN A2027 -2.706 -9.393 -8.712 1.00 0.00 H new ATOM 0 HE22 GLN A2027 -2.542 -10.452 -10.117 1.00 0.00 H new ATOM 1451 N ILE A2028 -4.364 -11.524 -3.266 1.00 0.00 N ATOM 1452 CA ILE A2028 -4.099 -12.395 -2.120 1.00 0.00 C ATOM 1453 C ILE A2028 -5.306 -12.362 -1.191 1.00 0.00 C ATOM 1454 O ILE A2028 -5.888 -13.405 -0.919 1.00 0.00 O ATOM 1455 CB ILE A2028 -2.841 -11.964 -1.332 1.00 0.00 C ATOM 1456 CG1 ILE A2028 -1.610 -11.745 -2.218 1.00 0.00 C ATOM 1457 CG2 ILE A2028 -2.486 -13.001 -0.255 1.00 0.00 C ATOM 1458 CD1 ILE A2028 -0.465 -11.079 -1.453 1.00 0.00 C ATOM 0 H ILE A2028 -3.741 -10.719 -3.324 1.00 0.00 H new ATOM 0 HA ILE A2028 -3.920 -13.401 -2.498 1.00 0.00 H new ATOM 0 HB ILE A2028 -3.101 -11.009 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A2028 -1.273 -12.703 -2.614 1.00 0.00 H new ATOM 0 HG13 ILE A2028 -1.884 -11.126 -3.072 1.00 0.00 H new ATOM 0 HG21 ILE A2028 -1.597 -12.675 0.285 1.00 0.00 H new ATOM 0 HG22 ILE A2028 -3.318 -13.101 0.442 1.00 0.00 H new ATOM 0 HG23 ILE A2028 -2.290 -13.964 -0.727 1.00 0.00 H new ATOM 0 HD11 ILE A2028 0.387 -10.943 -2.119 1.00 0.00 H new ATOM 0 HD12 ILE A2028 -0.793 -10.109 -1.080 1.00 0.00 H new ATOM 0 HD13 ILE A2028 -0.172 -11.710 -0.614 1.00 0.00 H new ATOM 1470 N LEU A2029 -5.731 -11.177 -0.743 1.00 0.00 N ATOM 1471 CA LEU A2029 -6.879 -11.064 0.158 1.00 0.00 C ATOM 1472 C LEU A2029 -8.162 -11.560 -0.496 1.00 0.00 C ATOM 1473 O LEU A2029 -9.076 -12.022 0.182 1.00 0.00 O ATOM 1474 CB LEU A2029 -7.018 -9.648 0.713 1.00 0.00 C ATOM 1475 CG LEU A2029 -7.128 -8.483 -0.287 1.00 0.00 C ATOM 1476 CD1 LEU A2029 -8.550 -8.264 -0.811 1.00 0.00 C ATOM 1477 CD2 LEU A2029 -6.645 -7.214 0.416 1.00 0.00 C ATOM 0 H LEU A2029 -5.299 -10.286 -0.989 1.00 0.00 H new ATOM 0 HA LEU A2029 -6.693 -11.719 1.009 1.00 0.00 H new ATOM 0 HB2 LEU A2029 -7.902 -9.625 1.350 1.00 0.00 H new ATOM 0 HB3 LEU A2029 -6.158 -9.456 1.355 1.00 0.00 H new ATOM 0 HG LEU A2029 -6.516 -8.727 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU A2029 -8.555 -7.428 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A2029 -8.893 -9.165 -1.319 1.00 0.00 H new ATOM 0 HD13 LEU A2029 -9.215 -8.043 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A2029 -6.712 -6.370 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A2029 -7.269 -7.022 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A2029 -5.610 -7.344 0.731 1.00 0.00 H new ATOM 1489 N SER A2030 -8.223 -11.470 -1.821 1.00 0.00 N ATOM 1490 CA SER A2030 -9.376 -11.918 -2.589 1.00 0.00 C ATOM 1491 C SER A2030 -9.417 -13.450 -2.593 1.00 0.00 C ATOM 1492 O SER A2030 -10.486 -14.040 -2.748 1.00 0.00 O ATOM 1493 CB SER A2030 -9.255 -11.326 -3.998 1.00 0.00 C ATOM 1494 OG SER A2030 -10.404 -11.460 -4.797 1.00 0.00 O ATOM 0 H SER A2030 -7.472 -11.083 -2.392 1.00 0.00 H new ATOM 0 HA SER A2030 -10.314 -11.578 -2.151 1.00 0.00 H new ATOM 0 HB2 SER A2030 -9.012 -10.267 -3.912 1.00 0.00 H new ATOM 0 HB3 SER A2030 -8.418 -11.805 -4.507 1.00 0.00 H new ATOM 0 HG SER A2030 -10.241 -11.056 -5.675 1.00 0.00 H new ATOM 1500 N SER A2031 -8.250 -14.081 -2.458 1.00 0.00 N ATOM 1501 CA SER A2031 -8.072 -15.520 -2.444 1.00 0.00 C ATOM 1502 C SER A2031 -8.414 -16.000 -1.048 1.00 0.00 C ATOM 1503 O SER A2031 -9.131 -16.983 -0.883 1.00 0.00 O ATOM 1504 CB SER A2031 -6.632 -15.856 -2.863 1.00 0.00 C ATOM 1505 OG SER A2031 -6.429 -17.235 -3.096 1.00 0.00 O ATOM 0 H SER A2031 -7.371 -13.575 -2.351 1.00 0.00 H new ATOM 0 HA SER A2031 -8.726 -16.027 -3.154 1.00 0.00 H new ATOM 0 HB2 SER A2031 -6.384 -15.301 -3.768 1.00 0.00 H new ATOM 0 HB3 SER A2031 -5.946 -15.520 -2.085 1.00 0.00 H new ATOM 0 HG SER A2031 -5.498 -17.388 -3.360 1.00 0.00 H new