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+ -168:sc= 2.08 (180deg=1.87) USER MOD Set 1.2: A2015 TYR OH : rot -135:sc= 1.11 USER MOD Set 2.1: A1964 GLN : amide:sc= 0.815 K(o=2.8,f=1.2) USER MOD Set 2.2: A2002 THR OG1 : rot 85:sc= 1.96 USER MOD Single : A1955 SER OG : rot 23:sc= 0.401 USER MOD Single : A1958 LYS NZ :NH3+ 159:sc= 1.25 (180deg=1.18) USER MOD Single : A1959 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A1962 LYS NZ :NH3+ -168:sc= 1.18 (180deg=1.07) USER MOD Single : A1963 GLN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A1970 TYR OH : rot 180:sc= 0 USER MOD Single : A1971 THR OG1 : rot 110:sc= 0.235 USER MOD Single : A1974 SER OG : rot 180:sc= 0 USER MOD Single : A1980 GLN : amide:sc= -0.618 K(o=-0.62,f=-2.6!) 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 140:sc= 0.0365 USER MOD Single : A1997 THR OG1 : rot 180:sc= 0 USER MOD Single : A1998 THR OG1 : rot 180:sc= 0 USER MOD Single : A2000 ASN : amide:sc= -1.14 K(o=-1.1,f=-8.2!) USER MOD Single : A2001 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2003 TYR OH : rot 180:sc= -0.17 USER MOD Single : A2004 ASN : amide:sc= -0.0116 X(o=-0.012,f=-0.0013) USER MOD Single : A2006 ASN : amide:sc= -0.693 X(o=-0.69,f=-0.41) 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 180:sc= -0.4 USER MOD Single : A2022 SER OG : rot -150:sc= -0.196 USER MOD Single : A2024 TYR OH : rot 180:sc= 0 USER MOD Single : A2027 GLN : amide:sc= -0.0887 K(o=-0.089,f=-2.2!) 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 -8.012 0.000 -5.666 1.00 0.00 N ATOM 286 CA SER A1955 -7.921 1.426 -5.408 1.00 0.00 C ATOM 287 C SER A1955 -7.856 1.719 -3.906 1.00 0.00 C ATOM 288 O SER A1955 -7.047 2.542 -3.475 1.00 0.00 O ATOM 289 CB SER A1955 -9.153 2.106 -6.023 1.00 0.00 C ATOM 290 OG SER A1955 -9.480 1.563 -7.296 1.00 0.00 O ATOM 0 HA SER A1955 -7.006 1.813 -5.856 1.00 0.00 H new ATOM 0 HB2 SER A1955 -10.003 1.992 -5.351 1.00 0.00 H new ATOM 0 HB3 SER A1955 -8.966 3.175 -6.122 1.00 0.00 H new ATOM 0 HG SER A1955 -9.111 0.658 -7.370 1.00 0.00 H new ATOM 296 N GLU A1956 -8.694 1.031 -3.122 1.00 0.00 N ATOM 297 CA GLU A1956 -8.795 1.180 -1.674 1.00 0.00 C ATOM 298 C GLU A1956 -7.459 0.812 -1.044 1.00 0.00 C ATOM 299 O GLU A1956 -6.983 1.501 -0.146 1.00 0.00 O ATOM 300 CB GLU A1956 -9.923 0.286 -1.121 1.00 0.00 C ATOM 301 CG GLU A1956 -11.321 0.625 -1.656 1.00 0.00 C ATOM 302 CD GLU A1956 -12.001 1.818 -0.972 1.00 0.00 C ATOM 303 OE1 GLU A1956 -11.445 2.420 -0.028 1.00 0.00 O ATOM 304 OE2 GLU A1956 -13.093 2.227 -1.444 1.00 0.00 O ATOM 0 H GLU A1956 -9.339 0.334 -3.494 1.00 0.00 H new ATOM 0 HA GLU A1956 -9.036 2.214 -1.428 1.00 0.00 H new ATOM 0 HB2 GLU A1956 -9.697 -0.753 -1.361 1.00 0.00 H new ATOM 0 HB3 GLU A1956 -9.934 0.367 -0.034 1.00 0.00 H new ATOM 0 HG2 GLU A1956 -11.246 0.831 -2.724 1.00 0.00 H new ATOM 0 HG3 GLU A1956 -11.959 -0.252 -1.545 1.00 0.00 H new ATOM 311 N ILE A1957 -6.829 -0.259 -1.527 1.00 0.00 N ATOM 312 CA ILE A1957 -5.546 -0.699 -1.008 1.00 0.00 C ATOM 313 C ILE A1957 -4.474 0.293 -1.432 1.00 0.00 C ATOM 314 O ILE A1957 -3.704 0.765 -0.605 1.00 0.00 O ATOM 315 CB ILE A1957 -5.225 -2.106 -1.535 1.00 0.00 C ATOM 316 CG1 ILE A1957 -6.295 -3.129 -1.121 1.00 0.00 C ATOM 317 CG2 ILE A1957 -3.820 -2.575 -1.100 1.00 0.00 C ATOM 318 CD1 ILE A1957 -6.348 -4.263 -2.154 1.00 0.00 C ATOM 0 H ILE A1957 -7.195 -0.838 -2.283 1.00 0.00 H new ATOM 0 HA ILE A1957 -5.580 -0.743 0.081 1.00 0.00 H new ATOM 0 HB ILE A1957 -5.231 -2.041 -2.623 1.00 0.00 H new ATOM 0 HG12 ILE A1957 -6.065 -3.532 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE A1957 -7.268 -2.644 -1.048 1.00 0.00 H new ATOM 0 HG21 ILE A1957 -3.632 -3.574 -1.493 1.00 0.00 H new ATOM 0 HG22 ILE A1957 -3.070 -1.886 -1.488 1.00 0.00 H new ATOM 0 HG23 ILE A1957 -3.765 -2.597 -0.012 1.00 0.00 H new ATOM 0 HD11 ILE A1957 -7.107 -4.988 -1.860 1.00 0.00 H new ATOM 0 HD12 ILE A1957 -6.598 -3.853 -3.132 1.00 0.00 H new ATOM 0 HD13 ILE A1957 -5.377 -4.755 -2.205 1.00 0.00 H new ATOM 330 N LYS A1958 -4.427 0.634 -2.720 1.00 0.00 N ATOM 331 CA LYS A1958 -3.440 1.537 -3.287 1.00 0.00 C ATOM 332 C LYS A1958 -3.313 2.835 -2.498 1.00 0.00 C ATOM 333 O LYS A1958 -2.195 3.230 -2.159 1.00 0.00 O ATOM 334 CB LYS A1958 -3.777 1.791 -4.761 1.00 0.00 C ATOM 335 CG LYS A1958 -2.740 2.698 -5.431 1.00 0.00 C ATOM 336 CD LYS A1958 -3.036 2.908 -6.914 1.00 0.00 C ATOM 337 CE LYS A1958 -4.360 3.646 -7.159 1.00 0.00 C ATOM 338 NZ LYS A1958 -4.421 4.208 -8.523 1.00 0.00 N ATOM 0 H LYS A1958 -5.091 0.279 -3.408 1.00 0.00 H new ATOM 0 HA LYS A1958 -2.461 1.062 -3.223 1.00 0.00 H new ATOM 0 HB2 LYS A1958 -3.826 0.840 -5.292 1.00 0.00 H new ATOM 0 HB3 LYS A1958 -4.763 2.249 -4.835 1.00 0.00 H new ATOM 0 HG2 LYS A1958 -2.722 3.663 -4.925 1.00 0.00 H new ATOM 0 HG3 LYS A1958 -1.748 2.260 -5.318 1.00 0.00 H new ATOM 0 HD2 LYS A1958 -2.221 3.474 -7.366 1.00 0.00 H new ATOM 0 HD3 LYS A1958 -3.067 1.940 -7.414 1.00 0.00 H new ATOM 0 HE2 LYS A1958 -5.194 2.960 -7.009 1.00 0.00 H new ATOM 0 HE3 LYS A1958 -4.472 4.447 -6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A1958 -5.413 4.378 -8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A1958 -3.897 5.106 -8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A1958 -3.996 3.537 -9.194 1.00 0.00 H new ATOM 352 N GLN A1959 -4.431 3.510 -2.229 1.00 0.00 N ATOM 353 CA GLN A1959 -4.372 4.758 -1.485 1.00 0.00 C ATOM 354 C GLN A1959 -3.902 4.527 -0.047 1.00 0.00 C ATOM 355 O GLN A1959 -3.115 5.328 0.454 1.00 0.00 O ATOM 356 CB GLN A1959 -5.709 5.504 -1.539 1.00 0.00 C ATOM 357 CG GLN A1959 -6.884 4.774 -0.882 1.00 0.00 C ATOM 358 CD GLN A1959 -8.205 5.446 -1.218 1.00 0.00 C ATOM 359 OE1 GLN A1959 -8.536 5.652 -2.387 1.00 0.00 O ATOM 360 NE2 GLN A1959 -9.012 5.753 -0.224 1.00 0.00 N ATOM 0 H GLN A1959 -5.367 3.218 -2.510 1.00 0.00 H new ATOM 0 HA GLN A1959 -3.631 5.397 -1.965 1.00 0.00 H new ATOM 0 HB2 GLN A1959 -5.587 6.473 -1.056 1.00 0.00 H new ATOM 0 HB3 GLN A1959 -5.958 5.697 -2.582 1.00 0.00 H new ATOM 0 HG2 GLN A1959 -6.905 3.737 -1.217 1.00 0.00 H new ATOM 0 HG3 GLN A1959 -6.746 4.757 0.199 1.00 0.00 H new ATOM 0 HE21 GLN A1959 -8.725 5.577 0.739 1.00 0.00 H new ATOM 0 HE22 GLN A1959 -9.924 6.167 -0.417 1.00 0.00 H new ATOM 369 N VAL A1960 -4.347 3.445 0.607 1.00 0.00 N ATOM 370 CA VAL A1960 -3.947 3.163 1.977 1.00 0.00 C ATOM 371 C VAL A1960 -2.438 2.946 1.991 1.00 0.00 C ATOM 372 O VAL A1960 -1.739 3.567 2.786 1.00 0.00 O ATOM 373 CB VAL A1960 -4.692 1.939 2.538 1.00 0.00 C ATOM 374 CG1 VAL A1960 -4.034 1.421 3.827 1.00 0.00 C ATOM 375 CG2 VAL A1960 -6.149 2.285 2.836 1.00 0.00 C ATOM 0 H VAL A1960 -4.983 2.757 0.203 1.00 0.00 H new ATOM 0 HA VAL A1960 -4.208 4.004 2.619 1.00 0.00 H new ATOM 0 HB VAL A1960 -4.644 1.160 1.777 1.00 0.00 H new ATOM 0 HG11 VAL A1960 -4.586 0.556 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A1960 -3.004 1.132 3.619 1.00 0.00 H new ATOM 0 HG13 VAL A1960 -4.045 2.207 4.582 1.00 0.00 H new ATOM 0 HG21 VAL A1960 -6.658 1.406 3.232 1.00 0.00 H new ATOM 0 HG22 VAL A1960 -6.189 3.089 3.571 1.00 0.00 H new ATOM 0 HG23 VAL A1960 -6.641 2.607 1.918 1.00 0.00 H new ATOM 385 N LEU A1961 -1.918 2.105 1.083 1.00 0.00 N ATOM 386 CA LEU A1961 -0.501 1.810 0.979 1.00 0.00 C ATOM 387 C LEU A1961 0.292 3.105 0.951 1.00 0.00 C ATOM 388 O LEU A1961 1.291 3.194 1.657 1.00 0.00 O ATOM 389 CB LEU A1961 -0.137 1.059 -0.303 1.00 0.00 C ATOM 390 CG LEU A1961 -0.564 -0.390 -0.470 1.00 0.00 C ATOM 391 CD1 LEU A1961 -0.041 -0.878 -1.822 1.00 0.00 C ATOM 392 CD2 LEU A1961 -0.084 -1.256 0.698 1.00 0.00 C ATOM 0 H LEU A1961 -2.487 1.610 0.396 1.00 0.00 H new ATOM 0 HA LEU A1961 -0.263 1.189 1.842 1.00 0.00 H new ATOM 0 HB2 LEU A1961 -0.553 1.620 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A1961 0.948 1.093 -0.405 1.00 0.00 H new ATOM 0 HG LEU A1961 -1.651 -0.470 -0.457 1.00 0.00 H new ATOM 0 HD11 LEU A1961 -0.332 -1.918 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A1961 -0.463 -0.265 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A1961 1.046 -0.799 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A1961 -0.408 -2.286 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A1961 1.004 -1.222 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A1961 -0.506 -0.878 1.629 1.00 0.00 H new ATOM 404 N LYS A1962 -0.134 4.083 0.143 1.00 0.00 N ATOM 405 CA LYS A1962 0.537 5.360 0.025 1.00 0.00 C ATOM 406 C LYS A1962 0.715 5.976 1.401 1.00 0.00 C ATOM 407 O LYS A1962 1.821 6.362 1.759 1.00 0.00 O ATOM 408 CB LYS A1962 -0.277 6.284 -0.892 1.00 0.00 C ATOM 409 CG LYS A1962 0.614 7.415 -1.398 1.00 0.00 C ATOM 410 CD LYS A1962 -0.142 8.450 -2.221 1.00 0.00 C ATOM 411 CE LYS A1962 -0.684 7.925 -3.531 1.00 0.00 C ATOM 412 NZ LYS A1962 -2.172 7.855 -3.571 1.00 0.00 N ATOM 0 H LYS A1962 -0.962 3.999 -0.447 1.00 0.00 H new ATOM 0 HA LYS A1962 1.524 5.219 -0.415 1.00 0.00 H new ATOM 0 HB2 LYS A1962 -0.677 5.718 -1.733 1.00 0.00 H new ATOM 0 HB3 LYS A1962 -1.129 6.693 -0.349 1.00 0.00 H new ATOM 0 HG2 LYS A1962 1.083 7.909 -0.547 1.00 0.00 H new ATOM 0 HG3 LYS A1962 1.416 6.994 -2.004 1.00 0.00 H new ATOM 0 HD2 LYS A1962 -0.970 8.836 -1.627 1.00 0.00 H new ATOM 0 HD3 LYS A1962 0.522 9.290 -2.426 1.00 0.00 H new ATOM 0 HE2 LYS A1962 -0.336 8.565 -4.342 1.00 0.00 H new ATOM 0 HE3 LYS A1962 -0.276 6.931 -3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A1962 -2.471 7.305 -4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A1962 -2.521 7.394 -2.706 1.00 0.00 H new ATOM 0 HZ3 LYS A1962 -2.563 8.817 -3.633 1.00 0.00 H new ATOM 426 N GLN A1963 -0.370 6.052 2.160 1.00 0.00 N ATOM 427 CA GLN A1963 -0.403 6.623 3.489 1.00 0.00 C ATOM 428 C GLN A1963 0.479 5.863 4.475 1.00 0.00 C ATOM 429 O GLN A1963 1.154 6.498 5.278 1.00 0.00 O ATOM 430 CB GLN A1963 -1.879 6.739 3.918 1.00 0.00 C ATOM 431 CG GLN A1963 -2.342 5.900 5.118 1.00 0.00 C ATOM 432 CD GLN A1963 -3.852 5.985 5.363 1.00 0.00 C ATOM 433 OE1 GLN A1963 -4.483 5.025 5.795 1.00 0.00 O ATOM 434 NE2 GLN A1963 -4.510 7.088 5.038 1.00 0.00 N ATOM 0 H GLN A1963 -1.278 5.705 1.852 1.00 0.00 H new ATOM 0 HA GLN A1963 0.033 7.622 3.482 1.00 0.00 H new ATOM 0 HB2 GLN A1963 -2.081 7.786 4.143 1.00 0.00 H new ATOM 0 HB3 GLN A1963 -2.499 6.471 3.062 1.00 0.00 H new ATOM 0 HG2 GLN A1963 -2.064 4.859 4.955 1.00 0.00 H new ATOM 0 HG3 GLN A1963 -1.815 6.234 6.012 1.00 0.00 H new ATOM 0 HE21 GLN A1963 -4.003 7.896 4.677 1.00 0.00 H new ATOM 0 HE22 GLN A1963 -5.523 7.129 5.149 1.00 0.00 H new ATOM 443 N GLN A1964 0.508 4.529 4.417 1.00 0.00 N ATOM 444 CA GLN A1964 1.295 3.716 5.333 1.00 0.00 C ATOM 445 C GLN A1964 2.777 3.917 5.049 1.00 0.00 C ATOM 446 O GLN A1964 3.605 4.006 5.954 1.00 0.00 O ATOM 447 CB GLN A1964 0.885 2.233 5.209 1.00 0.00 C ATOM 448 CG GLN A1964 -0.624 2.012 5.427 1.00 0.00 C ATOM 449 CD GLN A1964 -0.941 0.760 6.235 1.00 0.00 C ATOM 450 OE1 GLN A1964 -1.071 0.805 7.448 1.00 0.00 O ATOM 451 NE2 GLN A1964 -1.132 -0.381 5.595 1.00 0.00 N ATOM 0 H GLN A1964 -0.016 3.986 3.731 1.00 0.00 H new ATOM 0 HA GLN A1964 1.103 4.026 6.360 1.00 0.00 H new ATOM 0 HB2 GLN A1964 1.163 1.865 4.221 1.00 0.00 H new ATOM 0 HB3 GLN A1964 1.443 1.644 5.937 1.00 0.00 H new ATOM 0 HG2 GLN A1964 -1.041 2.880 5.937 1.00 0.00 H new ATOM 0 HG3 GLN A1964 -1.118 1.945 4.458 1.00 0.00 H new ATOM 0 HE21 GLN A1964 -1.024 -0.422 4.582 1.00 0.00 H new ATOM 0 HE22 GLN A1964 -1.387 -1.221 6.115 1.00 0.00 H new ATOM 460 N LEU A1965 3.129 3.936 3.767 1.00 0.00 N ATOM 461 CA LEU A1965 4.509 4.120 3.351 1.00 0.00 C ATOM 462 C LEU A1965 4.946 5.553 3.649 1.00 0.00 C ATOM 463 O LEU A1965 6.109 5.764 3.966 1.00 0.00 O ATOM 464 CB LEU A1965 4.670 3.714 1.872 1.00 0.00 C ATOM 465 CG LEU A1965 5.136 4.821 0.923 1.00 0.00 C ATOM 466 CD1 LEU A1965 6.654 5.009 0.955 1.00 0.00 C ATOM 467 CD2 LEU A1965 4.693 4.516 -0.493 1.00 0.00 C ATOM 0 H LEU A1965 2.470 3.825 2.996 1.00 0.00 H new ATOM 0 HA LEU A1965 5.174 3.469 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A1965 5.382 2.891 1.817 1.00 0.00 H new ATOM 0 HB3 LEU A1965 3.714 3.333 1.513 1.00 0.00 H new ATOM 0 HG LEU A1965 4.678 5.750 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A1965 6.937 5.805 0.266 1.00 0.00 H new ATOM 0 HD12 LEU A1965 6.966 5.275 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A1965 7.142 4.081 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A1965 5.030 5.310 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A1965 5.124 3.567 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A1965 3.606 4.451 -0.528 1.00 0.00 H new ATOM 479 N ALA A1966 4.025 6.520 3.583 1.00 0.00 N ATOM 480 CA ALA A1966 4.343 7.905 3.835 1.00 0.00 C ATOM 481 C ALA A1966 4.931 8.047 5.232 1.00 0.00 C ATOM 482 O ALA A1966 6.015 8.597 5.401 1.00 0.00 O ATOM 483 CB ALA A1966 3.105 8.788 3.677 1.00 0.00 C ATOM 0 H ALA A1966 3.045 6.352 3.353 1.00 0.00 H new ATOM 0 HA ALA A1966 5.080 8.236 3.103 1.00 0.00 H new ATOM 0 HB1 ALA A1966 3.372 9.827 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A1966 2.720 8.697 2.661 1.00 0.00 H new ATOM 0 HB3 ALA A1966 2.339 8.471 4.385 1.00 0.00 H new ATOM 489 N GLU A1967 4.261 7.476 6.232 1.00 0.00 N ATOM 490 CA GLU A1967 4.743 7.573 7.603 1.00 0.00 C ATOM 491 C GLU A1967 6.079 6.838 7.745 1.00 0.00 C ATOM 492 O GLU A1967 6.931 7.253 8.529 1.00 0.00 O ATOM 493 CB GLU A1967 3.714 7.022 8.605 1.00 0.00 C ATOM 494 CG GLU A1967 2.289 7.446 8.252 1.00 0.00 C ATOM 495 CD GLU A1967 1.327 7.375 9.441 1.00 0.00 C ATOM 496 OE1 GLU A1967 0.925 6.258 9.850 1.00 0.00 O ATOM 497 OE2 GLU A1967 0.959 8.422 10.018 1.00 0.00 O ATOM 0 H GLU A1967 3.395 6.949 6.119 1.00 0.00 H new ATOM 0 HA GLU A1967 4.892 8.628 7.833 1.00 0.00 H new ATOM 0 HB2 GLU A1967 3.774 5.934 8.625 1.00 0.00 H new ATOM 0 HB3 GLU A1967 3.959 7.374 9.607 1.00 0.00 H new ATOM 0 HG2 GLU A1967 2.305 8.465 7.866 1.00 0.00 H new ATOM 0 HG3 GLU A1967 1.915 6.808 7.451 1.00 0.00 H new ATOM 504 N ALA A1968 6.275 5.761 6.974 1.00 0.00 N ATOM 505 CA ALA A1968 7.494 4.961 6.989 1.00 0.00 C ATOM 506 C ALA A1968 8.689 5.745 6.447 1.00 0.00 C ATOM 507 O ALA A1968 9.828 5.397 6.750 1.00 0.00 O ATOM 508 CB ALA A1968 7.298 3.692 6.158 1.00 0.00 C ATOM 0 H ALA A1968 5.576 5.420 6.314 1.00 0.00 H new ATOM 0 HA ALA A1968 7.702 4.696 8.026 1.00 0.00 H new ATOM 0 HB1 ALA A1968 8.214 3.101 6.175 1.00 0.00 H new ATOM 0 HB2 ALA A1968 6.480 3.106 6.576 1.00 0.00 H new ATOM 0 HB3 ALA A1968 7.061 3.964 5.129 1.00 0.00 H new ATOM 514 N LEU A1969 8.433 6.767 5.624 1.00 0.00 N ATOM 515 CA LEU A1969 9.441 7.634 5.028 1.00 0.00 C ATOM 516 C LEU A1969 9.416 9.022 5.689 1.00 0.00 C ATOM 517 O LEU A1969 10.073 9.938 5.193 1.00 0.00 O ATOM 518 CB LEU A1969 9.258 7.752 3.499 1.00 0.00 C ATOM 519 CG LEU A1969 9.462 6.475 2.663 1.00 0.00 C ATOM 520 CD1 LEU A1969 9.611 6.858 1.186 1.00 0.00 C ATOM 521 CD2 LEU A1969 10.717 5.693 3.065 1.00 0.00 C ATOM 0 H LEU A1969 7.484 7.018 5.348 1.00 0.00 H new ATOM 0 HA LEU A1969 10.416 7.181 5.206 1.00 0.00 H new ATOM 0 HB2 LEU A1969 8.251 8.123 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A1969 9.952 8.509 3.134 1.00 0.00 H new ATOM 0 HG LEU A1969 8.591 5.843 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A1969 9.756 5.957 0.589 1.00 0.00 H new ATOM 0 HD12 LEU A1969 8.711 7.374 0.851 1.00 0.00 H new ATOM 0 HD13 LEU A1969 10.472 7.515 1.066 1.00 0.00 H new ATOM 0 HD21 LEU A1969 10.807 4.804 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A1969 11.597 6.322 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A1969 10.641 5.396 4.111 1.00 0.00 H new ATOM 533 N TYR A1970 8.682 9.184 6.798 1.00 0.00 N ATOM 534 CA TYR A1970 8.535 10.427 7.548 1.00 0.00 C ATOM 535 C TYR A1970 7.975 11.557 6.665 1.00 0.00 C ATOM 536 O TYR A1970 8.394 12.708 6.779 1.00 0.00 O ATOM 537 CB TYR A1970 9.868 10.767 8.241 1.00 0.00 C ATOM 538 CG TYR A1970 9.726 11.679 9.442 1.00 0.00 C ATOM 539 CD1 TYR A1970 9.313 11.136 10.671 1.00 0.00 C ATOM 540 CD2 TYR A1970 10.004 13.056 9.341 1.00 0.00 C ATOM 541 CE1 TYR A1970 9.205 11.958 11.804 1.00 0.00 C ATOM 542 CE2 TYR A1970 9.912 13.885 10.472 1.00 0.00 C ATOM 543 CZ TYR A1970 9.517 13.332 11.709 1.00 0.00 C ATOM 544 OH TYR A1970 9.418 14.124 12.809 1.00 0.00 O ATOM 0 H TYR A1970 8.153 8.415 7.210 1.00 0.00 H new ATOM 0 HA TYR A1970 7.792 10.300 8.335 1.00 0.00 H new ATOM 0 HB2 TYR A1970 10.348 9.840 8.557 1.00 0.00 H new ATOM 0 HB3 TYR A1970 10.532 11.239 7.516 1.00 0.00 H new ATOM 0 HD1 TYR A1970 9.078 10.084 10.744 1.00 0.00 H new ATOM 0 HD2 TYR A1970 10.290 13.477 8.389 1.00 0.00 H new ATOM 0 HE1 TYR A1970 8.884 11.540 12.747 1.00 0.00 H new ATOM 0 HE2 TYR A1970 10.142 14.937 10.395 1.00 0.00 H new ATOM 0 HH TYR A1970 9.669 15.042 12.575 1.00 0.00 H new ATOM 554 N THR A1971 7.006 11.247 5.804 1.00 0.00 N ATOM 555 CA THR A1971 6.380 12.185 4.881 1.00 0.00 C ATOM 556 C THR A1971 4.849 12.041 4.888 1.00 0.00 C ATOM 557 O THR A1971 4.251 11.482 5.814 1.00 0.00 O ATOM 558 CB THR A1971 7.035 11.980 3.500 1.00 0.00 C ATOM 559 OG1 THR A1971 6.744 13.061 2.644 1.00 0.00 O ATOM 560 CG2 THR A1971 6.569 10.686 2.815 1.00 0.00 C ATOM 0 H THR A1971 6.625 10.304 5.730 1.00 0.00 H new ATOM 0 HA THR A1971 6.548 13.218 5.187 1.00 0.00 H new ATOM 0 HB THR A1971 8.108 11.914 3.681 1.00 0.00 H new ATOM 0 HG1 THR A1971 7.557 13.587 2.494 1.00 0.00 H new ATOM 0 HG21 THR A1971 7.060 10.590 1.847 1.00 0.00 H new ATOM 0 HG22 THR A1971 6.827 9.831 3.439 1.00 0.00 H new ATOM 0 HG23 THR A1971 5.489 10.718 2.673 1.00 0.00 H new ATOM 568 N GLU A1972 4.211 12.603 3.862 1.00 0.00 N ATOM 569 CA GLU A1972 2.789 12.604 3.607 1.00 0.00 C ATOM 570 C GLU A1972 2.522 11.934 2.262 1.00 0.00 C ATOM 571 O GLU A1972 3.313 12.019 1.327 1.00 0.00 O ATOM 572 CB GLU A1972 2.253 14.044 3.629 1.00 0.00 C ATOM 573 CG GLU A1972 2.796 14.911 2.471 1.00 0.00 C ATOM 574 CD GLU A1972 2.321 16.362 2.503 1.00 0.00 C ATOM 575 OE1 GLU A1972 1.552 16.754 3.412 1.00 0.00 O ATOM 576 OE2 GLU A1972 2.693 17.129 1.590 1.00 0.00 O ATOM 0 H GLU A1972 4.723 13.106 3.137 1.00 0.00 H new ATOM 0 HA GLU A1972 2.270 12.044 4.385 1.00 0.00 H new ATOM 0 HB2 GLU A1972 1.164 14.021 3.578 1.00 0.00 H new ATOM 0 HB3 GLU A1972 2.518 14.509 4.578 1.00 0.00 H new ATOM 0 HG2 GLU A1972 3.886 14.896 2.500 1.00 0.00 H new ATOM 0 HG3 GLU A1972 2.496 14.462 1.524 1.00 0.00 H new ATOM 583 N GLU A1973 1.395 11.241 2.158 1.00 0.00 N ATOM 584 CA GLU A1973 0.989 10.570 0.927 1.00 0.00 C ATOM 585 C GLU A1973 0.671 11.586 -0.165 1.00 0.00 C ATOM 586 O GLU A1973 0.706 11.253 -1.344 1.00 0.00 O ATOM 587 CB GLU A1973 -0.197 9.636 1.206 1.00 0.00 C ATOM 588 CG GLU A1973 -1.221 10.058 2.257 1.00 0.00 C ATOM 589 CD GLU A1973 -1.930 11.365 1.904 1.00 0.00 C ATOM 590 OE1 GLU A1973 -2.943 11.316 1.163 1.00 0.00 O ATOM 591 OE2 GLU A1973 -1.480 12.426 2.391 1.00 0.00 O ATOM 0 H GLU A1973 0.734 11.127 2.927 1.00 0.00 H new ATOM 0 HA GLU A1973 1.816 9.961 0.563 1.00 0.00 H new ATOM 0 HB2 GLU A1973 -0.729 9.484 0.267 1.00 0.00 H new ATOM 0 HB3 GLU A1973 0.206 8.668 1.504 1.00 0.00 H new ATOM 0 HG2 GLU A1973 -1.963 9.268 2.372 1.00 0.00 H new ATOM 0 HG3 GLU A1973 -0.722 10.170 3.219 1.00 0.00 H new ATOM 598 N SER A1974 0.408 12.830 0.208 1.00 0.00 N ATOM 599 CA SER A1974 0.097 13.890 -0.729 1.00 0.00 C ATOM 600 C SER A1974 1.263 14.066 -1.711 1.00 0.00 C ATOM 601 O SER A1974 1.027 14.345 -2.890 1.00 0.00 O ATOM 602 CB SER A1974 -0.226 15.171 0.056 1.00 0.00 C ATOM 603 OG SER A1974 -1.183 15.985 -0.603 1.00 0.00 O ATOM 0 H SER A1974 0.406 13.131 1.182 1.00 0.00 H new ATOM 0 HA SER A1974 -0.782 13.641 -1.324 1.00 0.00 H new ATOM 0 HB2 SER A1974 -0.600 14.903 1.044 1.00 0.00 H new ATOM 0 HB3 SER A1974 0.690 15.742 0.206 1.00 0.00 H new ATOM 0 HG SER A1974 -1.357 16.786 -0.066 1.00 0.00 H new ATOM 609 N GLU A1975 2.512 13.850 -1.273 1.00 0.00 N ATOM 610 CA GLU A1975 3.662 14.008 -2.162 1.00 0.00 C ATOM 611 C GLU A1975 4.107 12.701 -2.832 1.00 0.00 C ATOM 612 O GLU A1975 5.079 12.728 -3.587 1.00 0.00 O ATOM 613 CB GLU A1975 4.835 14.680 -1.418 1.00 0.00 C ATOM 614 CG GLU A1975 5.543 13.824 -0.348 1.00 0.00 C ATOM 615 CD GLU A1975 6.956 14.360 -0.070 1.00 0.00 C ATOM 616 OE1 GLU A1975 7.087 15.534 0.350 1.00 0.00 O ATOM 617 OE2 GLU A1975 7.962 13.646 -0.316 1.00 0.00 O ATOM 0 H GLU A1975 2.746 13.569 -0.321 1.00 0.00 H new ATOM 0 HA GLU A1975 3.335 14.659 -2.973 1.00 0.00 H new ATOM 0 HB2 GLU A1975 5.576 14.989 -2.155 1.00 0.00 H new ATOM 0 HB3 GLU A1975 4.463 15.587 -0.941 1.00 0.00 H new ATOM 0 HG2 GLU A1975 4.960 13.828 0.573 1.00 0.00 H new ATOM 0 HG3 GLU A1975 5.601 12.789 -0.684 1.00 0.00 H new ATOM 624 N ILE A1976 3.419 11.571 -2.632 1.00 0.00 N ATOM 625 CA ILE A1976 3.839 10.289 -3.190 1.00 0.00 C ATOM 626 C ILE A1976 3.096 9.936 -4.465 1.00 0.00 C ATOM 627 O ILE A1976 1.861 9.923 -4.510 1.00 0.00 O ATOM 628 CB ILE A1976 3.673 9.200 -2.113 1.00 0.00 C ATOM 629 CG1 ILE A1976 4.534 9.546 -0.888 1.00 0.00 C ATOM 630 CG2 ILE A1976 3.996 7.780 -2.623 1.00 0.00 C ATOM 631 CD1 ILE A1976 4.292 8.582 0.259 1.00 0.00 C ATOM 0 H ILE A1976 2.561 11.523 -2.082 1.00 0.00 H new ATOM 0 HA ILE A1976 4.888 10.362 -3.476 1.00 0.00 H new ATOM 0 HB ILE A1976 2.619 9.186 -1.834 1.00 0.00 H new ATOM 0 HG12 ILE A1976 5.588 9.524 -1.166 1.00 0.00 H new ATOM 0 HG13 ILE A1976 4.312 10.562 -0.562 1.00 0.00 H new ATOM 0 HG21 ILE A1976 3.859 7.063 -1.814 1.00 0.00 H new ATOM 0 HG22 ILE A1976 3.329 7.529 -3.448 1.00 0.00 H new ATOM 0 HG23 ILE A1976 5.029 7.744 -2.968 1.00 0.00 H new ATOM 0 HD11 ILE A1976 4.919 8.860 1.106 1.00 0.00 H new ATOM 0 HD12 ILE A1976 3.244 8.624 0.554 1.00 0.00 H new ATOM 0 HD13 ILE A1976 4.539 7.569 -0.059 1.00 0.00 H new ATOM 643 N ALA A1977 3.866 9.640 -5.506 1.00 0.00 N ATOM 644 CA ALA A1977 3.328 9.235 -6.792 1.00 0.00 C ATOM 645 C ALA A1977 3.120 7.717 -6.729 1.00 0.00 C ATOM 646 O ALA A1977 3.869 6.989 -6.071 1.00 0.00 O ATOM 647 CB ALA A1977 4.230 9.685 -7.934 1.00 0.00 C ATOM 0 H ALA A1977 4.885 9.675 -5.478 1.00 0.00 H new ATOM 0 HA ALA A1977 2.371 9.716 -6.997 1.00 0.00 H new ATOM 0 HB1 ALA A1977 3.800 9.367 -8.884 1.00 0.00 H new ATOM 0 HB2 ALA A1977 4.318 10.771 -7.921 1.00 0.00 H new ATOM 0 HB3 ALA A1977 5.218 9.239 -7.815 1.00 0.00 H new ATOM 653 N GLU A1978 2.114 7.215 -7.438 1.00 0.00 N ATOM 654 CA GLU A1978 1.756 5.793 -7.438 1.00 0.00 C ATOM 655 C GLU A1978 2.624 4.918 -8.335 1.00 0.00 C ATOM 656 O GLU A1978 2.666 3.698 -8.159 1.00 0.00 O ATOM 657 CB GLU A1978 0.260 5.650 -7.738 1.00 0.00 C ATOM 658 CG GLU A1978 -0.560 6.440 -6.714 1.00 0.00 C ATOM 659 CD GLU A1978 -2.065 6.290 -6.901 1.00 0.00 C ATOM 660 OE1 GLU A1978 -2.557 6.075 -8.031 1.00 0.00 O ATOM 661 OE2 GLU A1978 -2.792 6.351 -5.887 1.00 0.00 O ATOM 0 H GLU A1978 1.516 7.786 -8.036 1.00 0.00 H new ATOM 0 HA GLU A1978 1.963 5.408 -6.440 1.00 0.00 H new ATOM 0 HB2 GLU A1978 0.047 6.012 -8.744 1.00 0.00 H new ATOM 0 HB3 GLU A1978 -0.025 4.598 -7.711 1.00 0.00 H new ATOM 0 HG2 GLU A1978 -0.291 6.109 -5.711 1.00 0.00 H new ATOM 0 HG3 GLU A1978 -0.296 7.495 -6.784 1.00 0.00 H new ATOM 668 N ASP A1979 3.355 5.550 -9.244 1.00 0.00 N ATOM 669 CA ASP A1979 4.278 4.964 -10.208 1.00 0.00 C ATOM 670 C ASP A1979 5.728 5.350 -9.889 1.00 0.00 C ATOM 671 O ASP A1979 6.629 5.072 -10.686 1.00 0.00 O ATOM 672 CB ASP A1979 3.885 5.366 -11.635 1.00 0.00 C ATOM 673 CG ASP A1979 4.294 6.783 -12.035 1.00 0.00 C ATOM 674 OD1 ASP A1979 4.288 7.708 -11.187 1.00 0.00 O ATOM 675 OD2 ASP A1979 4.527 6.984 -13.241 1.00 0.00 O ATOM 0 H ASP A1979 3.315 6.565 -9.333 1.00 0.00 H new ATOM 0 HA ASP A1979 4.212 3.878 -10.136 1.00 0.00 H new ATOM 0 HB2 ASP A1979 4.336 4.661 -12.334 1.00 0.00 H new ATOM 0 HB3 ASP A1979 2.804 5.271 -11.740 1.00 0.00 H new ATOM 680 N GLN A1980 5.962 6.012 -8.750 1.00 0.00 N ATOM 681 CA GLN A1980 7.294 6.421 -8.309 1.00 0.00 C ATOM 682 C GLN A1980 7.834 5.338 -7.401 1.00 0.00 C ATOM 683 O GLN A1980 7.101 4.790 -6.571 1.00 0.00 O ATOM 684 CB GLN A1980 7.265 7.762 -7.573 1.00 0.00 C ATOM 685 CG GLN A1980 8.685 8.253 -7.212 1.00 0.00 C ATOM 686 CD GLN A1980 8.970 9.722 -7.524 1.00 0.00 C ATOM 687 OE1 GLN A1980 9.731 10.387 -6.833 1.00 0.00 O ATOM 688 NE2 GLN A1980 8.479 10.245 -8.632 1.00 0.00 N ATOM 0 H GLN A1980 5.220 6.280 -8.103 1.00 0.00 H new ATOM 0 HA GLN A1980 7.935 6.554 -9.180 1.00 0.00 H new ATOM 0 HB2 GLN A1980 6.771 8.507 -8.196 1.00 0.00 H new ATOM 0 HB3 GLN A1980 6.673 7.664 -6.663 1.00 0.00 H new ATOM 0 HG2 GLN A1980 8.849 8.087 -6.147 1.00 0.00 H new ATOM 0 HG3 GLN A1980 9.410 7.639 -7.746 1.00 0.00 H new ATOM 0 HE21 GLN A1980 7.844 9.700 -9.215 1.00 0.00 H new ATOM 0 HE22 GLN A1980 8.735 11.194 -8.905 1.00 0.00 H new ATOM 697 N LYS A1981 9.113 5.014 -7.557 1.00 0.00 N ATOM 698 CA LYS A1981 9.712 3.973 -6.748 1.00 0.00 C ATOM 699 C LYS A1981 9.912 4.442 -5.321 1.00 0.00 C ATOM 700 O LYS A1981 10.440 5.526 -5.100 1.00 0.00 O ATOM 701 CB LYS A1981 11.031 3.513 -7.356 1.00 0.00 C ATOM 702 CG LYS A1981 10.782 3.063 -8.796 1.00 0.00 C ATOM 703 CD LYS A1981 11.662 1.890 -9.214 1.00 0.00 C ATOM 704 CE LYS A1981 10.979 1.299 -10.446 1.00 0.00 C ATOM 705 NZ LYS A1981 11.784 0.237 -11.086 1.00 0.00 N ATOM 0 H LYS A1981 9.743 5.453 -8.228 1.00 0.00 H new ATOM 0 HA LYS A1981 9.029 3.124 -6.729 1.00 0.00 H new ATOM 0 HB2 LYS A1981 11.759 4.324 -7.335 1.00 0.00 H new ATOM 0 HB3 LYS A1981 11.450 2.693 -6.772 1.00 0.00 H new ATOM 0 HG2 LYS A1981 9.735 2.782 -8.907 1.00 0.00 H new ATOM 0 HG3 LYS A1981 10.960 3.902 -9.469 1.00 0.00 H new ATOM 0 HD2 LYS A1981 12.675 2.220 -9.445 1.00 0.00 H new ATOM 0 HD3 LYS A1981 11.741 1.152 -8.415 1.00 0.00 H new ATOM 0 HE2 LYS A1981 10.009 0.892 -10.159 1.00 0.00 H new ATOM 0 HE3 LYS A1981 10.791 2.093 -11.169 1.00 0.00 H new ATOM 0 HZ1 LYS A1981 11.277 -0.131 -11.916 1.00 0.00 H new ATOM 0 HZ2 LYS A1981 12.700 0.628 -11.385 1.00 0.00 H new ATOM 0 HZ3 LYS A1981 11.943 -0.535 -10.407 1.00 0.00 H new ATOM 719 N PHE A1982 9.587 3.605 -4.342 1.00 0.00 N ATOM 720 CA PHE A1982 9.779 3.961 -2.941 1.00 0.00 C ATOM 721 C PHE A1982 11.270 4.192 -2.693 1.00 0.00 C ATOM 722 O PHE A1982 11.632 5.068 -1.917 1.00 0.00 O ATOM 723 CB PHE A1982 9.273 2.845 -2.034 1.00 0.00 C ATOM 724 CG PHE A1982 7.983 2.199 -2.450 1.00 0.00 C ATOM 725 CD1 PHE A1982 6.850 3.004 -2.580 1.00 0.00 C ATOM 726 CD2 PHE A1982 7.898 0.811 -2.657 1.00 0.00 C ATOM 727 CE1 PHE A1982 5.624 2.408 -2.886 1.00 0.00 C ATOM 728 CE2 PHE A1982 6.661 0.219 -2.964 1.00 0.00 C ATOM 729 CZ PHE A1982 5.513 1.021 -3.069 1.00 0.00 C ATOM 0 H PHE A1982 9.190 2.677 -4.492 1.00 0.00 H new ATOM 0 HA PHE A1982 9.217 4.868 -2.717 1.00 0.00 H new ATOM 0 HB2 PHE A1982 10.041 2.074 -1.975 1.00 0.00 H new ATOM 0 HB3 PHE A1982 9.148 3.248 -1.029 1.00 0.00 H new ATOM 0 HD1 PHE A1982 6.920 4.073 -2.446 1.00 0.00 H new ATOM 0 HD2 PHE A1982 8.784 0.199 -2.580 1.00 0.00 H new ATOM 0 HE1 PHE A1982 4.744 3.027 -2.984 1.00 0.00 H new ATOM 0 HE2 PHE A1982 6.594 -0.848 -3.118 1.00 0.00 H new ATOM 0 HZ PHE A1982 4.554 0.575 -3.288 1.00 0.00 H new ATOM 739 N VAL A1983 12.148 3.415 -3.339 1.00 0.00 N ATOM 740 CA VAL A1983 13.594 3.569 -3.175 1.00 0.00 C ATOM 741 C VAL A1983 14.043 4.976 -3.572 1.00 0.00 C ATOM 742 O VAL A1983 14.922 5.535 -2.921 1.00 0.00 O ATOM 743 CB VAL A1983 14.405 2.492 -3.928 1.00 0.00 C ATOM 744 CG1 VAL A1983 14.229 1.125 -3.259 1.00 0.00 C ATOM 745 CG2 VAL A1983 14.033 2.347 -5.411 1.00 0.00 C ATOM 0 H VAL A1983 11.878 2.671 -3.982 1.00 0.00 H new ATOM 0 HA VAL A1983 13.803 3.424 -2.115 1.00 0.00 H new ATOM 0 HB VAL A1983 15.440 2.831 -3.880 1.00 0.00 H new ATOM 0 HG11 VAL A1983 14.807 0.377 -3.802 1.00 0.00 H new ATOM 0 HG12 VAL A1983 14.580 1.177 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A1983 13.175 0.847 -3.270 1.00 0.00 H new ATOM 0 HG21 VAL A1983 14.648 1.571 -5.866 1.00 0.00 H new ATOM 0 HG22 VAL A1983 12.981 2.074 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A1983 14.205 3.293 -5.924 1.00 0.00 H new ATOM 755 N ASP A1984 13.419 5.558 -4.596 1.00 0.00 N ATOM 756 CA ASP A1984 13.727 6.893 -5.090 1.00 0.00 C ATOM 757 C ASP A1984 13.303 7.911 -4.023 1.00 0.00 C ATOM 758 O ASP A1984 13.961 8.933 -3.841 1.00 0.00 O ATOM 759 CB ASP A1984 13.004 7.166 -6.433 1.00 0.00 C ATOM 760 CG ASP A1984 13.582 6.522 -7.701 1.00 0.00 C ATOM 761 OD1 ASP A1984 13.955 5.328 -7.703 1.00 0.00 O ATOM 762 OD2 ASP A1984 13.496 7.167 -8.778 1.00 0.00 O ATOM 0 H ASP A1984 12.669 5.101 -5.114 1.00 0.00 H new ATOM 0 HA ASP A1984 14.797 6.979 -5.278 1.00 0.00 H new ATOM 0 HB2 ASP A1984 11.971 6.835 -6.330 1.00 0.00 H new ATOM 0 HB3 ASP A1984 12.979 8.245 -6.587 1.00 0.00 H new ATOM 767 N LEU A1985 12.219 7.622 -3.290 1.00 0.00 N ATOM 768 CA LEU A1985 11.681 8.473 -2.230 1.00 0.00 C ATOM 769 C LEU A1985 12.503 8.357 -0.945 1.00 0.00 C ATOM 770 O LEU A1985 12.587 9.325 -0.186 1.00 0.00 O ATOM 771 CB LEU A1985 10.205 8.138 -1.944 1.00 0.00 C ATOM 772 CG LEU A1985 9.226 8.328 -3.119 1.00 0.00 C ATOM 773 CD1 LEU A1985 7.783 8.292 -2.611 1.00 0.00 C ATOM 774 CD2 LEU A1985 9.467 9.654 -3.823 1.00 0.00 C ATOM 0 H LEU A1985 11.681 6.766 -3.425 1.00 0.00 H new ATOM 0 HA LEU A1985 11.743 9.502 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A1985 10.147 7.101 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A1985 9.868 8.757 -1.113 1.00 0.00 H new ATOM 0 HG LEU A1985 9.393 7.516 -3.826 1.00 0.00 H new ATOM 0 HD11 LEU A1985 7.099 8.427 -3.449 1.00 0.00 H new ATOM 0 HD12 LEU A1985 7.589 7.331 -2.135 1.00 0.00 H new ATOM 0 HD13 LEU A1985 7.632 9.092 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A1985 8.762 9.761 -4.648 1.00 0.00 H new ATOM 0 HD22 LEU A1985 9.326 10.472 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU A1985 10.486 9.680 -4.210 1.00 0.00 H new ATOM 786 N GLY A1986 13.129 7.201 -0.697 1.00 0.00 N ATOM 787 CA GLY A1986 13.959 6.971 0.486 1.00 0.00 C ATOM 788 C GLY A1986 13.753 5.619 1.164 1.00 0.00 C ATOM 789 O GLY A1986 14.076 5.465 2.341 1.00 0.00 O ATOM 0 H GLY A1986 13.072 6.394 -1.318 1.00 0.00 H new ATOM 0 HA2 GLY A1986 15.007 7.061 0.200 1.00 0.00 H new ATOM 0 HA3 GLY A1986 13.758 7.759 1.212 1.00 0.00 H new ATOM 793 N LEU A1987 13.156 4.652 0.469 1.00 0.00 N ATOM 794 CA LEU A1987 12.909 3.314 0.988 1.00 0.00 C ATOM 795 C LEU A1987 14.203 2.539 0.859 1.00 0.00 C ATOM 796 O LEU A1987 14.876 2.620 -0.168 1.00 0.00 O ATOM 797 CB LEU A1987 11.776 2.677 0.177 1.00 0.00 C ATOM 798 CG LEU A1987 10.983 1.520 0.797 1.00 0.00 C ATOM 799 CD1 LEU A1987 11.818 0.301 1.149 1.00 0.00 C ATOM 800 CD2 LEU A1987 10.216 2.008 2.030 1.00 0.00 C ATOM 0 H LEU A1987 12.826 4.782 -0.487 1.00 0.00 H new ATOM 0 HA LEU A1987 12.602 3.324 2.034 1.00 0.00 H new ATOM 0 HB2 LEU A1987 11.067 3.465 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A1987 12.202 2.320 -0.761 1.00 0.00 H new ATOM 0 HG LEU A1987 10.290 1.189 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A1987 11.177 -0.467 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A1987 12.292 -0.088 0.248 1.00 0.00 H new ATOM 0 HD13 LEU A1987 12.585 0.582 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A1987 9.656 1.178 2.462 1.00 0.00 H new ATOM 0 HD22 LEU A1987 10.920 2.394 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A1987 9.525 2.799 1.739 1.00 0.00 H new ATOM 812 N ASP A1988 14.532 1.761 1.874 1.00 0.00 N ATOM 813 CA ASP A1988 15.739 0.958 1.930 1.00 0.00 C ATOM 814 C ASP A1988 15.470 -0.440 2.488 1.00 0.00 C ATOM 815 O ASP A1988 14.322 -0.887 2.588 1.00 0.00 O ATOM 816 CB ASP A1988 16.818 1.736 2.684 1.00 0.00 C ATOM 817 CG ASP A1988 16.535 1.983 4.162 1.00 0.00 C ATOM 818 OD1 ASP A1988 15.894 1.119 4.799 1.00 0.00 O ATOM 819 OD2 ASP A1988 16.952 3.060 4.642 1.00 0.00 O ATOM 0 H ASP A1988 13.950 1.668 2.706 1.00 0.00 H new ATOM 0 HA ASP A1988 16.111 0.776 0.922 1.00 0.00 H new ATOM 0 HB2 ASP A1988 17.760 1.194 2.598 1.00 0.00 H new ATOM 0 HB3 ASP A1988 16.958 2.699 2.193 1.00 0.00 H new ATOM 824 N SER A1989 16.536 -1.193 2.740 1.00 0.00 N ATOM 825 CA SER A1989 16.477 -2.556 3.255 1.00 0.00 C ATOM 826 C SER A1989 15.839 -2.634 4.639 1.00 0.00 C ATOM 827 O SER A1989 15.297 -3.675 5.013 1.00 0.00 O ATOM 828 CB SER A1989 17.915 -3.069 3.323 1.00 0.00 C ATOM 829 OG SER A1989 18.034 -4.470 3.410 1.00 0.00 O ATOM 0 H SER A1989 17.489 -0.863 2.588 1.00 0.00 H new ATOM 0 HA SER A1989 15.855 -3.161 2.595 1.00 0.00 H new ATOM 0 HB2 SER A1989 18.451 -2.726 2.438 1.00 0.00 H new ATOM 0 HB3 SER A1989 18.406 -2.621 4.187 1.00 0.00 H new ATOM 0 HG SER A1989 18.982 -4.716 3.448 1.00 0.00 H new ATOM 835 N ILE A1990 15.970 -1.584 5.445 1.00 0.00 N ATOM 836 CA ILE A1990 15.429 -1.541 6.781 1.00 0.00 C ATOM 837 C ILE A1990 13.936 -1.274 6.701 1.00 0.00 C ATOM 838 O ILE A1990 13.134 -2.131 7.080 1.00 0.00 O ATOM 839 CB ILE A1990 16.178 -0.509 7.660 1.00 0.00 C ATOM 840 CG1 ILE A1990 17.707 -0.743 7.665 1.00 0.00 C ATOM 841 CG2 ILE A1990 15.671 -0.597 9.110 1.00 0.00 C ATOM 842 CD1 ILE A1990 18.485 0.014 6.578 1.00 0.00 C ATOM 0 H ILE A1990 16.463 -0.733 5.176 1.00 0.00 H new ATOM 0 HA ILE A1990 15.576 -2.504 7.269 1.00 0.00 H new ATOM 0 HB ILE A1990 15.981 0.475 7.235 1.00 0.00 H new ATOM 0 HG12 ILE A1990 18.100 -0.454 8.640 1.00 0.00 H new ATOM 0 HG13 ILE A1990 17.896 -1.810 7.549 1.00 0.00 H new ATOM 0 HG21 ILE A1990 16.200 0.131 9.725 1.00 0.00 H new ATOM 0 HG22 ILE A1990 14.602 -0.384 9.135 1.00 0.00 H new ATOM 0 HG23 ILE A1990 15.851 -1.600 9.498 1.00 0.00 H new ATOM 0 HD11 ILE A1990 19.547 -0.215 6.664 1.00 0.00 H new ATOM 0 HD12 ILE A1990 18.127 -0.291 5.595 1.00 0.00 H new ATOM 0 HD13 ILE A1990 18.334 1.086 6.702 1.00 0.00 H new ATOM 854 N VAL A1991 13.567 -0.101 6.194 1.00 0.00 N ATOM 855 CA VAL A1991 12.186 0.337 6.072 1.00 0.00 C ATOM 856 C VAL A1991 11.345 -0.661 5.273 1.00 0.00 C ATOM 857 O VAL A1991 10.188 -0.903 5.616 1.00 0.00 O ATOM 858 CB VAL A1991 12.125 1.750 5.446 1.00 0.00 C ATOM 859 CG1 VAL A1991 10.709 2.327 5.587 1.00 0.00 C ATOM 860 CG2 VAL A1991 13.087 2.766 6.076 1.00 0.00 C ATOM 0 H VAL A1991 14.238 0.585 5.849 1.00 0.00 H new ATOM 0 HA VAL A1991 11.757 0.384 7.073 1.00 0.00 H new ATOM 0 HB VAL A1991 12.418 1.607 4.406 1.00 0.00 H new ATOM 0 HG11 VAL A1991 10.676 3.322 5.143 1.00 0.00 H new ATOM 0 HG12 VAL A1991 9.999 1.678 5.075 1.00 0.00 H new ATOM 0 HG13 VAL A1991 10.446 2.391 6.643 1.00 0.00 H new ATOM 0 HG21 VAL A1991 12.978 3.729 5.577 1.00 0.00 H new ATOM 0 HG22 VAL A1991 12.855 2.878 7.135 1.00 0.00 H new ATOM 0 HG23 VAL A1991 14.112 2.414 5.964 1.00 0.00 H new ATOM 870 N GLY A1992 11.898 -1.301 4.240 1.00 0.00 N ATOM 871 CA GLY A1992 11.124 -2.231 3.440 1.00 0.00 C ATOM 872 C GLY A1992 10.715 -3.490 4.191 1.00 0.00 C ATOM 873 O GLY A1992 9.657 -4.048 3.901 1.00 0.00 O ATOM 0 H GLY A1992 12.868 -1.189 3.946 1.00 0.00 H new ATOM 0 HA2 GLY A1992 10.228 -1.727 3.078 1.00 0.00 H new ATOM 0 HA3 GLY A1992 11.706 -2.514 2.563 1.00 0.00 H new ATOM 877 N VAL A1993 11.530 -3.966 5.132 1.00 0.00 N ATOM 878 CA VAL A1993 11.229 -5.164 5.912 1.00 0.00 C ATOM 879 C VAL A1993 10.122 -4.874 6.907 1.00 0.00 C ATOM 880 O VAL A1993 9.184 -5.659 7.027 1.00 0.00 O ATOM 881 CB VAL A1993 12.520 -5.598 6.648 1.00 0.00 C ATOM 882 CG1 VAL A1993 12.309 -6.665 7.731 1.00 0.00 C ATOM 883 CG2 VAL A1993 13.548 -6.144 5.663 1.00 0.00 C ATOM 0 H VAL A1993 12.420 -3.530 5.375 1.00 0.00 H new ATOM 0 HA VAL A1993 10.889 -5.966 5.256 1.00 0.00 H new ATOM 0 HB VAL A1993 12.870 -4.689 7.137 1.00 0.00 H new ATOM 0 HG11 VAL A1993 13.266 -6.908 8.193 1.00 0.00 H new ATOM 0 HG12 VAL A1993 11.626 -6.283 8.490 1.00 0.00 H new ATOM 0 HG13 VAL A1993 11.885 -7.562 7.280 1.00 0.00 H new ATOM 0 HG21 VAL A1993 14.447 -6.443 6.203 1.00 0.00 H new ATOM 0 HG22 VAL A1993 13.132 -7.008 5.145 1.00 0.00 H new ATOM 0 HG23 VAL A1993 13.801 -5.372 4.936 1.00 0.00 H new ATOM 893 N GLU A1994 10.220 -3.776 7.641 1.00 0.00 N ATOM 894 CA GLU A1994 9.198 -3.444 8.618 1.00 0.00 C ATOM 895 C GLU A1994 7.897 -3.043 7.925 1.00 0.00 C ATOM 896 O GLU A1994 6.829 -3.511 8.322 1.00 0.00 O ATOM 897 CB GLU A1994 9.724 -2.398 9.593 1.00 0.00 C ATOM 898 CG GLU A1994 10.291 -1.157 8.906 1.00 0.00 C ATOM 899 CD GLU A1994 10.935 -0.236 9.939 1.00 0.00 C ATOM 900 OE1 GLU A1994 11.870 -0.694 10.642 1.00 0.00 O ATOM 901 OE2 GLU A1994 10.498 0.926 10.063 1.00 0.00 O ATOM 0 H GLU A1994 10.988 -3.107 7.579 1.00 0.00 H new ATOM 0 HA GLU A1994 8.957 -4.325 9.213 1.00 0.00 H new ATOM 0 HB2 GLU A1994 8.917 -2.097 10.261 1.00 0.00 H new ATOM 0 HB3 GLU A1994 10.500 -2.848 10.212 1.00 0.00 H new ATOM 0 HG2 GLU A1994 11.028 -1.450 8.158 1.00 0.00 H new ATOM 0 HG3 GLU A1994 9.497 -0.628 8.380 1.00 0.00 H new ATOM 908 N TRP A1995 7.953 -2.266 6.838 1.00 0.00 N ATOM 909 CA TRP A1995 6.740 -1.856 6.142 1.00 0.00 C ATOM 910 C TRP A1995 6.014 -3.076 5.586 1.00 0.00 C ATOM 911 O TRP A1995 4.781 -3.098 5.552 1.00 0.00 O ATOM 912 CB TRP A1995 7.057 -0.830 5.056 1.00 0.00 C ATOM 913 CG TRP A1995 5.849 -0.185 4.439 1.00 0.00 C ATOM 914 CD1 TRP A1995 4.805 0.344 5.113 1.00 0.00 C ATOM 915 CD2 TRP A1995 5.510 -0.032 3.031 1.00 0.00 C ATOM 916 NE1 TRP A1995 3.826 0.738 4.227 1.00 0.00 N ATOM 917 CE2 TRP A1995 4.190 0.491 2.924 1.00 0.00 C ATOM 918 CE3 TRP A1995 6.179 -0.332 1.829 1.00 0.00 C ATOM 919 CZ2 TRP A1995 3.562 0.680 1.683 1.00 0.00 C ATOM 920 CZ3 TRP A1995 5.556 -0.158 0.580 1.00 0.00 C ATOM 921 CH2 TRP A1995 4.259 0.372 0.507 1.00 0.00 C ATOM 0 H TRP A1995 8.818 -1.914 6.428 1.00 0.00 H new ATOM 0 HA TRP A1995 6.071 -1.370 6.852 1.00 0.00 H new ATOM 0 HB2 TRP A1995 7.691 -0.052 5.482 1.00 0.00 H new ATOM 0 HB3 TRP A1995 7.634 -1.317 4.270 1.00 0.00 H new ATOM 0 HD1 TRP A1995 4.746 0.443 6.187 1.00 0.00 H new ATOM 0 HE1 TRP A1995 2.940 1.161 4.504 1.00 0.00 H new ATOM 0 HE3 TRP A1995 7.192 -0.704 1.867 1.00 0.00 H new ATOM 0 HZ2 TRP A1995 2.552 1.059 1.635 1.00 0.00 H new ATOM 0 HZ3 TRP A1995 6.077 -0.433 -0.325 1.00 0.00 H new ATOM 0 HH2 TRP A1995 3.798 0.542 -0.455 1.00 0.00 H new ATOM 932 N THR A1996 6.753 -4.112 5.164 1.00 0.00 N ATOM 933 CA THR A1996 6.119 -5.327 4.649 1.00 0.00 C ATOM 934 C THR A1996 5.179 -5.923 5.710 1.00 0.00 C ATOM 935 O THR A1996 4.166 -6.538 5.373 1.00 0.00 O ATOM 936 CB THR A1996 7.155 -6.327 4.099 1.00 0.00 C ATOM 937 OG1 THR A1996 6.700 -6.983 2.928 1.00 0.00 O ATOM 938 CG2 THR A1996 7.551 -7.439 5.062 1.00 0.00 C ATOM 0 H THR A1996 7.773 -4.131 5.170 1.00 0.00 H new ATOM 0 HA THR A1996 5.500 -5.068 3.790 1.00 0.00 H new ATOM 0 HB THR A1996 8.017 -5.688 3.908 1.00 0.00 H new ATOM 0 HG1 THR A1996 7.440 -7.065 2.290 1.00 0.00 H new ATOM 0 HG21 THR A1996 8.283 -8.090 4.584 1.00 0.00 H new ATOM 0 HG22 THR A1996 7.985 -7.003 5.962 1.00 0.00 H new ATOM 0 HG23 THR A1996 6.668 -8.020 5.330 1.00 0.00 H new ATOM 946 N THR A1997 5.504 -5.741 6.991 1.00 0.00 N ATOM 947 CA THR A1997 4.714 -6.270 8.085 1.00 0.00 C ATOM 948 C THR A1997 3.423 -5.496 8.281 1.00 0.00 C ATOM 949 O THR A1997 2.362 -6.114 8.337 1.00 0.00 O ATOM 950 CB THR A1997 5.550 -6.274 9.363 1.00 0.00 C ATOM 951 OG1 THR A1997 6.770 -6.960 9.156 1.00 0.00 O ATOM 952 CG2 THR A1997 4.769 -6.929 10.496 1.00 0.00 C ATOM 0 H THR A1997 6.327 -5.219 7.292 1.00 0.00 H new ATOM 0 HA THR A1997 4.430 -7.293 7.837 1.00 0.00 H new ATOM 0 HB THR A1997 5.774 -5.242 9.634 1.00 0.00 H new ATOM 0 HG1 THR A1997 7.294 -6.952 9.984 1.00 0.00 H new ATOM 0 HG21 THR A1997 5.373 -6.927 11.403 1.00 0.00 H new ATOM 0 HG22 THR A1997 3.848 -6.373 10.672 1.00 0.00 H new ATOM 0 HG23 THR A1997 4.526 -7.956 10.224 1.00 0.00 H new ATOM 960 N THR A1998 3.487 -4.169 8.321 1.00 0.00 N ATOM 961 CA THR A1998 2.309 -3.321 8.526 1.00 0.00 C ATOM 962 C THR A1998 1.247 -3.650 7.473 1.00 0.00 C ATOM 963 O THR A1998 0.047 -3.665 7.746 1.00 0.00 O ATOM 964 CB THR A1998 2.785 -1.858 8.498 1.00 0.00 C ATOM 965 OG1 THR A1998 3.647 -1.723 9.610 1.00 0.00 O ATOM 966 CG2 THR A1998 1.670 -0.805 8.524 1.00 0.00 C ATOM 0 H THR A1998 4.356 -3.647 8.212 1.00 0.00 H new ATOM 0 HA THR A1998 1.831 -3.500 9.489 1.00 0.00 H new ATOM 0 HB THR A1998 3.279 -1.663 7.546 1.00 0.00 H new ATOM 0 HG1 THR A1998 3.989 -0.806 9.649 1.00 0.00 H new ATOM 0 HG21 THR A1998 2.110 0.192 8.501 1.00 0.00 H new ATOM 0 HG22 THR A1998 1.025 -0.937 7.655 1.00 0.00 H new ATOM 0 HG23 THR A1998 1.081 -0.921 9.434 1.00 0.00 H new ATOM 974 N ILE A1999 1.687 -3.982 6.263 1.00 0.00 N ATOM 975 CA ILE A1999 0.802 -4.338 5.164 1.00 0.00 C ATOM 976 C ILE A1999 0.091 -5.653 5.490 1.00 0.00 C ATOM 977 O ILE A1999 -1.128 -5.771 5.351 1.00 0.00 O ATOM 978 CB ILE A1999 1.639 -4.438 3.879 1.00 0.00 C ATOM 979 CG1 ILE A1999 1.970 -3.011 3.394 1.00 0.00 C ATOM 980 CG2 ILE A1999 0.897 -5.238 2.806 1.00 0.00 C ATOM 981 CD1 ILE A1999 2.798 -3.041 2.113 1.00 0.00 C ATOM 0 H ILE A1999 2.677 -4.011 6.018 1.00 0.00 H new ATOM 0 HA ILE A1999 0.034 -3.579 5.016 1.00 0.00 H new ATOM 0 HB ILE A1999 2.568 -4.970 4.083 1.00 0.00 H new ATOM 0 HG12 ILE A1999 1.046 -2.460 3.220 1.00 0.00 H new ATOM 0 HG13 ILE A1999 2.517 -2.478 4.171 1.00 0.00 H new ATOM 0 HG21 ILE A1999 1.509 -5.295 1.906 1.00 0.00 H new ATOM 0 HG22 ILE A1999 0.699 -6.245 3.174 1.00 0.00 H new ATOM 0 HG23 ILE A1999 -0.047 -4.745 2.572 1.00 0.00 H new ATOM 0 HD11 ILE A1999 3.015 -2.021 1.796 1.00 0.00 H new ATOM 0 HD12 ILE A1999 3.733 -3.571 2.296 1.00 0.00 H new ATOM 0 HD13 ILE A1999 2.238 -3.553 1.330 1.00 0.00 H new ATOM 993 N ASN A2000 0.865 -6.659 5.894 1.00 0.00 N ATOM 994 CA ASN A2000 0.355 -7.979 6.232 1.00 0.00 C ATOM 995 C ASN A2000 -0.641 -7.901 7.359 1.00 0.00 C ATOM 996 O ASN A2000 -1.586 -8.677 7.396 1.00 0.00 O ATOM 997 CB ASN A2000 1.462 -8.898 6.748 1.00 0.00 C ATOM 998 CG ASN A2000 2.471 -9.207 5.694 1.00 0.00 C ATOM 999 OD1 ASN A2000 2.118 -9.306 4.529 1.00 0.00 O ATOM 1000 ND2 ASN A2000 3.724 -9.360 6.070 1.00 0.00 N ATOM 0 H ASN A2000 1.876 -6.575 5.996 1.00 0.00 H new ATOM 0 HA ASN A2000 -0.090 -8.364 5.314 1.00 0.00 H new ATOM 0 HB2 ASN A2000 1.958 -8.427 7.597 1.00 0.00 H new ATOM 0 HB3 ASN A2000 1.022 -9.827 7.111 1.00 0.00 H new ATOM 0 HD21 ASN A2000 4.442 -9.570 5.377 1.00 0.00 H new ATOM 0 HD22 ASN A2000 3.976 -9.269 7.054 1.00 0.00 H new ATOM 1007 N GLN A2001 -0.403 -6.998 8.294 1.00 0.00 N ATOM 1008 CA GLN A2001 -1.276 -6.800 9.437 1.00 0.00 C ATOM 1009 C GLN A2001 -2.565 -6.111 8.984 1.00 0.00 C ATOM 1010 O GLN A2001 -3.640 -6.469 9.453 1.00 0.00 O ATOM 1011 CB GLN A2001 -0.556 -5.982 10.519 1.00 0.00 C ATOM 1012 CG GLN A2001 0.743 -6.654 11.014 1.00 0.00 C ATOM 1013 CD GLN A2001 0.800 -6.838 12.524 1.00 0.00 C ATOM 1014 OE1 GLN A2001 1.678 -6.318 13.206 1.00 0.00 O ATOM 1015 NE2 GLN A2001 -0.114 -7.578 13.108 1.00 0.00 N ATOM 0 H GLN A2001 0.407 -6.378 8.281 1.00 0.00 H new ATOM 0 HA GLN A2001 -1.536 -7.766 9.869 1.00 0.00 H new ATOM 0 HB2 GLN A2001 -0.320 -4.994 10.124 1.00 0.00 H new ATOM 0 HB3 GLN A2001 -1.228 -5.835 11.364 1.00 0.00 H new ATOM 0 HG2 GLN A2001 0.843 -7.628 10.534 1.00 0.00 H new ATOM 0 HG3 GLN A2001 1.596 -6.053 10.698 1.00 0.00 H new ATOM 0 HE21 GLN A2001 -0.848 -8.015 12.551 1.00 0.00 H new ATOM 0 HE22 GLN A2001 -0.090 -7.716 14.118 1.00 0.00 H new ATOM 1024 N THR A2002 -2.481 -5.185 8.026 1.00 0.00 N ATOM 1025 CA THR A2002 -3.625 -4.441 7.527 1.00 0.00 C ATOM 1026 C THR A2002 -4.599 -5.325 6.748 1.00 0.00 C ATOM 1027 O THR A2002 -5.812 -5.201 6.920 1.00 0.00 O ATOM 1028 CB THR A2002 -3.132 -3.294 6.621 1.00 0.00 C ATOM 1029 OG1 THR A2002 -2.252 -2.425 7.300 1.00 0.00 O ATOM 1030 CG2 THR A2002 -4.264 -2.424 6.070 1.00 0.00 C ATOM 0 H THR A2002 -1.602 -4.932 7.573 1.00 0.00 H new ATOM 0 HA THR A2002 -4.162 -4.045 8.389 1.00 0.00 H new ATOM 0 HB THR A2002 -2.628 -3.804 5.801 1.00 0.00 H new ATOM 0 HG1 THR A2002 -1.341 -2.783 7.257 1.00 0.00 H new ATOM 0 HG21 THR A2002 -3.846 -1.638 5.442 1.00 0.00 H new ATOM 0 HG22 THR A2002 -4.941 -3.040 5.478 1.00 0.00 H new ATOM 0 HG23 THR A2002 -4.813 -1.974 6.897 1.00 0.00 H new ATOM 1038 N TYR A2003 -4.085 -6.226 5.905 1.00 0.00 N ATOM 1039 CA TYR A2003 -4.920 -7.079 5.074 1.00 0.00 C ATOM 1040 C TYR A2003 -4.926 -8.540 5.484 1.00 0.00 C ATOM 1041 O TYR A2003 -5.559 -9.350 4.806 1.00 0.00 O ATOM 1042 CB TYR A2003 -4.522 -6.886 3.608 1.00 0.00 C ATOM 1043 CG TYR A2003 -4.584 -5.444 3.173 1.00 0.00 C ATOM 1044 CD1 TYR A2003 -5.838 -4.822 3.056 1.00 0.00 C ATOM 1045 CD2 TYR A2003 -3.396 -4.707 2.996 1.00 0.00 C ATOM 1046 CE1 TYR A2003 -5.917 -3.458 2.754 1.00 0.00 C ATOM 1047 CE2 TYR A2003 -3.470 -3.337 2.690 1.00 0.00 C ATOM 1048 CZ TYR A2003 -4.734 -2.712 2.575 1.00 0.00 C ATOM 1049 OH TYR A2003 -4.809 -1.388 2.299 1.00 0.00 O ATOM 0 H TYR A2003 -3.084 -6.379 5.784 1.00 0.00 H new ATOM 0 HA TYR A2003 -5.954 -6.767 5.218 1.00 0.00 H new ATOM 0 HB2 TYR A2003 -3.510 -7.263 3.458 1.00 0.00 H new ATOM 0 HB3 TYR A2003 -5.181 -7.481 2.976 1.00 0.00 H new ATOM 0 HD1 TYR A2003 -6.741 -5.397 3.199 1.00 0.00 H new ATOM 0 HD2 TYR A2003 -2.436 -5.191 3.095 1.00 0.00 H new ATOM 0 HE1 TYR A2003 -6.880 -2.979 2.658 1.00 0.00 H new ATOM 0 HE2 TYR A2003 -2.566 -2.764 2.543 1.00 0.00 H new ATOM 0 HH TYR A2003 -3.905 -1.021 2.206 1.00 0.00 H new ATOM 1059 N ASN A2004 -4.267 -8.866 6.595 1.00 0.00 N ATOM 1060 CA ASN A2004 -4.146 -10.204 7.154 1.00 0.00 C ATOM 1061 C ASN A2004 -3.519 -11.167 6.149 1.00 0.00 C ATOM 1062 O ASN A2004 -4.116 -12.159 5.742 1.00 0.00 O ATOM 1063 CB ASN A2004 -5.519 -10.658 7.632 1.00 0.00 C ATOM 1064 CG ASN A2004 -5.407 -11.896 8.480 1.00 0.00 C ATOM 1065 OD1 ASN A2004 -5.803 -12.996 8.102 1.00 0.00 O ATOM 1066 ND2 ASN A2004 -4.877 -11.727 9.665 1.00 0.00 N ATOM 0 H ASN A2004 -3.780 -8.166 7.155 1.00 0.00 H new ATOM 0 HA ASN A2004 -3.472 -10.193 8.010 1.00 0.00 H new ATOM 0 HB2 ASN A2004 -5.991 -9.860 8.205 1.00 0.00 H new ATOM 0 HB3 ASN A2004 -6.161 -10.857 6.774 1.00 0.00 H new ATOM 0 HD21 ASN A2004 -4.785 -12.520 10.300 1.00 0.00 H new ATOM 0 HD22 ASN A2004 -4.556 -10.803 9.953 1.00 0.00 H new ATOM 1073 N LEU A2005 -2.299 -10.840 5.730 1.00 0.00 N ATOM 1074 CA LEU A2005 -1.505 -11.572 4.751 1.00 0.00 C ATOM 1075 C LEU A2005 -0.179 -12.002 5.359 1.00 0.00 C ATOM 1076 O LEU A2005 0.018 -11.939 6.570 1.00 0.00 O ATOM 1077 CB LEU A2005 -1.252 -10.705 3.505 1.00 0.00 C ATOM 1078 CG LEU A2005 -2.458 -9.877 3.057 1.00 0.00 C ATOM 1079 CD1 LEU A2005 -2.040 -8.966 1.919 1.00 0.00 C ATOM 1080 CD2 LEU A2005 -3.661 -10.714 2.629 1.00 0.00 C ATOM 0 H LEU A2005 -1.814 -10.015 6.083 1.00 0.00 H new ATOM 0 HA LEU A2005 -2.063 -12.460 4.454 1.00 0.00 H new ATOM 0 HB2 LEU A2005 -0.419 -10.032 3.709 1.00 0.00 H new ATOM 0 HB3 LEU A2005 -0.945 -11.352 2.683 1.00 0.00 H new ATOM 0 HG LEU A2005 -2.782 -9.302 3.925 1.00 0.00 H new ATOM 0 HD11 LEU A2005 -2.895 -8.373 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A2005 -1.245 -8.302 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A2005 -1.679 -9.568 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A2005 -4.474 -10.054 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A2005 -3.380 -11.353 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A2005 -3.989 -11.334 3.464 1.00 0.00 H new ATOM 1092 N ASN A2006 0.724 -12.471 4.513 1.00 0.00 N ATOM 1093 CA ASN A2006 2.055 -12.914 4.858 1.00 0.00 C ATOM 1094 C ASN A2006 2.904 -12.500 3.671 1.00 0.00 C ATOM 1095 O ASN A2006 2.711 -12.999 2.562 1.00 0.00 O ATOM 1096 CB ASN A2006 2.094 -14.430 5.097 1.00 0.00 C ATOM 1097 CG ASN A2006 1.734 -15.267 3.879 1.00 0.00 C ATOM 1098 OD1 ASN A2006 2.572 -15.946 3.295 1.00 0.00 O ATOM 1099 ND2 ASN A2006 0.497 -15.209 3.433 1.00 0.00 N ATOM 0 H ASN A2006 0.532 -12.555 3.515 1.00 0.00 H new ATOM 0 HA ASN A2006 2.416 -12.476 5.788 1.00 0.00 H new ATOM 0 HB2 ASN A2006 3.094 -14.707 5.431 1.00 0.00 H new ATOM 0 HB3 ASN A2006 1.408 -14.676 5.907 1.00 0.00 H new ATOM 0 HD21 ASN A2006 0.231 -15.730 2.598 1.00 0.00 H new ATOM 0 HD22 ASN A2006 -0.196 -14.643 3.923 1.00 0.00 H new ATOM 1106 N LEU A2007 3.817 -11.563 3.889 1.00 0.00 N ATOM 1107 CA LEU A2007 4.726 -11.029 2.885 1.00 0.00 C ATOM 1108 C LEU A2007 6.058 -10.746 3.564 1.00 0.00 C ATOM 1109 O LEU A2007 6.142 -10.771 4.797 1.00 0.00 O ATOM 1110 CB LEU A2007 4.215 -9.714 2.278 1.00 0.00 C ATOM 1111 CG LEU A2007 2.844 -9.802 1.586 1.00 0.00 C ATOM 1112 CD1 LEU A2007 2.299 -8.389 1.348 1.00 0.00 C ATOM 1113 CD2 LEU A2007 2.944 -10.607 0.288 1.00 0.00 C ATOM 0 H LEU A2007 3.949 -11.138 4.807 1.00 0.00 H new ATOM 0 HA LEU A2007 4.815 -11.761 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A2007 4.158 -8.965 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A2007 4.948 -9.358 1.554 1.00 0.00 H new ATOM 0 HG LEU A2007 2.143 -10.331 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A2007 1.328 -8.452 0.858 1.00 0.00 H new ATOM 0 HD12 LEU A2007 2.191 -7.875 2.303 1.00 0.00 H new ATOM 0 HD13 LEU A2007 2.991 -7.834 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A2007 1.964 -10.657 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A2007 3.649 -10.122 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A2007 3.291 -11.616 0.511 1.00 0.00 H new ATOM 1125 N LYS A2008 7.116 -10.570 2.773 1.00 0.00 N ATOM 1126 CA LYS A2008 8.443 -10.292 3.274 1.00 0.00 C ATOM 1127 C LYS A2008 9.090 -9.239 2.417 1.00 0.00 C ATOM 1128 O LYS A2008 8.525 -8.877 1.381 1.00 0.00 O ATOM 1129 CB LYS A2008 9.250 -11.582 3.386 1.00 0.00 C ATOM 1130 CG LYS A2008 9.881 -12.157 2.113 1.00 0.00 C ATOM 1131 CD LYS A2008 11.415 -12.178 2.123 1.00 0.00 C ATOM 1132 CE LYS A2008 11.941 -12.929 3.347 1.00 0.00 C ATOM 1133 NZ LYS A2008 13.394 -13.155 3.271 1.00 0.00 N ATOM 0 H LYS A2008 7.065 -10.619 1.755 1.00 0.00 H new ATOM 0 HA LYS A2008 8.394 -9.887 4.285 1.00 0.00 H new ATOM 0 HB2 LYS A2008 10.050 -11.412 4.106 1.00 0.00 H new ATOM 0 HB3 LYS A2008 8.598 -12.347 3.808 1.00 0.00 H new ATOM 0 HG2 LYS A2008 9.516 -13.174 1.968 1.00 0.00 H new ATOM 0 HG3 LYS A2008 9.543 -11.572 1.258 1.00 0.00 H new ATOM 0 HD2 LYS A2008 11.782 -12.654 1.214 1.00 0.00 H new ATOM 0 HD3 LYS A2008 11.797 -11.157 2.125 1.00 0.00 H new ATOM 0 HE2 LYS A2008 11.709 -12.362 4.248 1.00 0.00 H new ATOM 0 HE3 LYS A2008 11.429 -13.887 3.433 1.00 0.00 H new ATOM 0 HZ1 LYS A2008 13.711 -13.667 4.119 1.00 0.00 H new ATOM 0 HZ2 LYS A2008 13.614 -13.718 2.425 1.00 0.00 H new ATOM 0 HZ3 LYS A2008 13.885 -12.240 3.215 1.00 0.00 H new ATOM 1147 N ALA A2009 10.327 -8.888 2.763 1.00 0.00 N ATOM 1148 CA ALA A2009 11.149 -7.903 2.074 1.00 0.00 C ATOM 1149 C ALA A2009 11.220 -8.082 0.553 1.00 0.00 C ATOM 1150 O ALA A2009 11.476 -7.108 -0.156 1.00 0.00 O ATOM 1151 CB ALA A2009 12.537 -7.888 2.671 1.00 0.00 C ATOM 0 H ALA A2009 10.801 -9.302 3.566 1.00 0.00 H new ATOM 0 HA ALA A2009 10.658 -6.942 2.226 1.00 0.00 H new ATOM 0 HB1 ALA A2009 13.148 -7.150 2.152 1.00 0.00 H new ATOM 0 HB2 ALA A2009 12.476 -7.630 3.728 1.00 0.00 H new ATOM 0 HB3 ALA A2009 12.990 -8.874 2.564 1.00 0.00 H new ATOM 1157 N THR A2010 10.994 -9.304 0.056 1.00 0.00 N ATOM 1158 CA THR A2010 11.003 -9.609 -1.368 1.00 0.00 C ATOM 1159 C THR A2010 9.991 -8.725 -2.095 1.00 0.00 C ATOM 1160 O THR A2010 10.257 -8.300 -3.211 1.00 0.00 O ATOM 1161 CB THR A2010 10.665 -11.106 -1.585 1.00 0.00 C ATOM 1162 OG1 THR A2010 11.005 -11.596 -2.873 1.00 0.00 O ATOM 1163 CG2 THR A2010 9.180 -11.429 -1.387 1.00 0.00 C ATOM 0 H THR A2010 10.798 -10.114 0.644 1.00 0.00 H new ATOM 0 HA THR A2010 11.995 -9.410 -1.773 1.00 0.00 H new ATOM 0 HB THR A2010 11.274 -11.594 -0.825 1.00 0.00 H new ATOM 0 HG1 THR A2010 10.765 -12.544 -2.936 1.00 0.00 H new ATOM 0 HG21 THR A2010 9.014 -12.493 -1.554 1.00 0.00 H new ATOM 0 HG22 THR A2010 8.884 -11.171 -0.370 1.00 0.00 H new ATOM 0 HG23 THR A2010 8.585 -10.853 -2.096 1.00 0.00 H new ATOM 1171 N LYS A2011 8.833 -8.440 -1.478 1.00 0.00 N ATOM 1172 CA LYS A2011 7.795 -7.642 -2.117 1.00 0.00 C ATOM 1173 C LYS A2011 8.252 -6.278 -2.554 1.00 0.00 C ATOM 1174 O LYS A2011 7.950 -5.865 -3.669 1.00 0.00 O ATOM 1175 CB LYS A2011 6.619 -7.450 -1.172 1.00 0.00 C ATOM 1176 CG LYS A2011 5.704 -8.644 -1.100 1.00 0.00 C ATOM 1177 CD LYS A2011 5.072 -8.938 -2.466 1.00 0.00 C ATOM 1178 CE LYS A2011 5.734 -10.202 -3.009 1.00 0.00 C ATOM 1179 NZ LYS A2011 5.364 -10.642 -4.376 1.00 0.00 N ATOM 0 H LYS A2011 8.600 -8.755 -0.536 1.00 0.00 H new ATOM 0 HA LYS A2011 7.514 -8.204 -3.007 1.00 0.00 H new ATOM 0 HB2 LYS A2011 6.998 -7.232 -0.173 1.00 0.00 H new ATOM 0 HB3 LYS A2011 6.044 -6.581 -1.492 1.00 0.00 H new ATOM 0 HG2 LYS A2011 6.264 -9.515 -0.760 1.00 0.00 H new ATOM 0 HG3 LYS A2011 4.920 -8.462 -0.365 1.00 0.00 H new ATOM 0 HD2 LYS A2011 3.996 -9.079 -2.369 1.00 0.00 H new ATOM 0 HD3 LYS A2011 5.224 -8.101 -3.148 1.00 0.00 H new ATOM 0 HE2 LYS A2011 6.813 -10.052 -2.986 1.00 0.00 H new ATOM 0 HE3 LYS A2011 5.511 -11.019 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A2011 5.721 -11.605 -4.539 1.00 0.00 H new ATOM 0 HZ2 LYS A2011 4.329 -10.636 -4.474 1.00 0.00 H new ATOM 0 HZ3 LYS A2011 5.782 -9.994 -5.074 1.00 0.00 H new ATOM 1193 N LEU A2012 8.964 -5.593 -1.677 1.00 0.00 N ATOM 1194 CA LEU A2012 9.458 -4.254 -1.953 1.00 0.00 C ATOM 1195 C LEU A2012 10.397 -4.275 -3.151 1.00 0.00 C ATOM 1196 O LEU A2012 10.489 -3.277 -3.860 1.00 0.00 O ATOM 1197 CB LEU A2012 10.127 -3.710 -0.682 1.00 0.00 C ATOM 1198 CG LEU A2012 9.184 -2.859 0.188 1.00 0.00 C ATOM 1199 CD1 LEU A2012 8.956 -1.520 -0.517 1.00 0.00 C ATOM 1200 CD2 LEU A2012 7.826 -3.507 0.524 1.00 0.00 C ATOM 0 H LEU A2012 9.216 -5.948 -0.755 1.00 0.00 H new ATOM 0 HA LEU A2012 8.638 -3.586 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A2012 10.500 -4.546 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A2012 10.991 -3.108 -0.964 1.00 0.00 H new ATOM 0 HG LEU A2012 9.681 -2.742 1.151 1.00 0.00 H new ATOM 0 HD11 LEU A2012 8.290 -0.901 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A2012 9.910 -1.008 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A2012 8.506 -1.695 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU A2012 7.240 -2.825 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A2012 7.286 -3.718 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A2012 7.991 -4.437 1.069 1.00 0.00 H new ATOM 1212 N TYR A2013 11.063 -5.404 -3.385 1.00 0.00 N ATOM 1213 CA TYR A2013 11.987 -5.604 -4.483 1.00 0.00 C ATOM 1214 C TYR A2013 11.298 -6.105 -5.753 1.00 0.00 C ATOM 1215 O TYR A2013 11.892 -6.070 -6.834 1.00 0.00 O ATOM 1216 CB TYR A2013 13.028 -6.634 -4.024 1.00 0.00 C ATOM 1217 CG TYR A2013 14.395 -6.451 -4.648 1.00 0.00 C ATOM 1218 CD1 TYR A2013 15.136 -5.282 -4.392 1.00 0.00 C ATOM 1219 CD2 TYR A2013 14.926 -7.447 -5.486 1.00 0.00 C ATOM 1220 CE1 TYR A2013 16.396 -5.102 -4.988 1.00 0.00 C ATOM 1221 CE2 TYR A2013 16.197 -7.282 -6.058 1.00 0.00 C ATOM 1222 CZ TYR A2013 16.938 -6.102 -5.821 1.00 0.00 C ATOM 1223 OH TYR A2013 18.167 -5.932 -6.383 1.00 0.00 O ATOM 0 H TYR A2013 10.966 -6.228 -2.792 1.00 0.00 H new ATOM 0 HA TYR A2013 12.443 -4.647 -4.735 1.00 0.00 H new ATOM 0 HB2 TYR A2013 13.125 -6.578 -2.940 1.00 0.00 H new ATOM 0 HB3 TYR A2013 12.663 -7.634 -4.261 1.00 0.00 H new ATOM 0 HD1 TYR A2013 14.736 -4.522 -3.737 1.00 0.00 H new ATOM 0 HD2 TYR A2013 14.355 -8.341 -5.690 1.00 0.00 H new ATOM 0 HE1 TYR A2013 16.951 -4.194 -4.807 1.00 0.00 H new ATOM 0 HE2 TYR A2013 16.611 -8.060 -6.682 1.00 0.00 H new ATOM 0 HH TYR A2013 18.389 -6.716 -6.927 1.00 0.00 H new ATOM 1233 N ASP A2014 10.057 -6.569 -5.629 1.00 0.00 N ATOM 1234 CA ASP A2014 9.240 -7.105 -6.701 1.00 0.00 C ATOM 1235 C ASP A2014 8.371 -6.021 -7.325 1.00 0.00 C ATOM 1236 O ASP A2014 8.199 -5.971 -8.542 1.00 0.00 O ATOM 1237 CB ASP A2014 8.328 -8.160 -6.051 1.00 0.00 C ATOM 1238 CG ASP A2014 7.973 -9.357 -6.911 1.00 0.00 C ATOM 1239 OD1 ASP A2014 8.622 -9.611 -7.949 1.00 0.00 O ATOM 1240 OD2 ASP A2014 7.162 -10.168 -6.403 1.00 0.00 O ATOM 0 H ASP A2014 9.575 -6.579 -4.730 1.00 0.00 H new ATOM 0 HA ASP A2014 9.869 -7.520 -7.489 1.00 0.00 H new ATOM 0 HB2 ASP A2014 8.813 -8.521 -5.144 1.00 0.00 H new ATOM 0 HB3 ASP A2014 7.403 -7.672 -5.744 1.00 0.00 H new ATOM 1245 N TYR A2015 7.850 -5.133 -6.476 1.00 0.00 N ATOM 1246 CA TYR A2015 6.955 -4.040 -6.827 1.00 0.00 C ATOM 1247 C TYR A2015 7.403 -2.786 -6.070 1.00 0.00 C ATOM 1248 O TYR A2015 6.929 -2.524 -4.963 1.00 0.00 O ATOM 1249 CB TYR A2015 5.510 -4.433 -6.477 1.00 0.00 C ATOM 1250 CG TYR A2015 5.113 -5.868 -6.752 1.00 0.00 C ATOM 1251 CD1 TYR A2015 5.174 -6.399 -8.054 1.00 0.00 C ATOM 1252 CD2 TYR A2015 4.720 -6.688 -5.680 1.00 0.00 C ATOM 1253 CE1 TYR A2015 4.833 -7.745 -8.288 1.00 0.00 C ATOM 1254 CE2 TYR A2015 4.362 -8.017 -5.915 1.00 0.00 C ATOM 1255 CZ TYR A2015 4.406 -8.557 -7.216 1.00 0.00 C ATOM 1256 OH TYR A2015 4.048 -9.858 -7.397 1.00 0.00 O ATOM 0 H TYR A2015 8.054 -5.162 -5.477 1.00 0.00 H new ATOM 0 HA TYR A2015 6.991 -3.832 -7.896 1.00 0.00 H new ATOM 0 HB2 TYR A2015 5.349 -4.232 -5.418 1.00 0.00 H new ATOM 0 HB3 TYR A2015 4.835 -3.781 -7.031 1.00 0.00 H new ATOM 0 HD1 TYR A2015 5.484 -5.772 -8.877 1.00 0.00 H new ATOM 0 HD2 TYR A2015 4.695 -6.291 -4.676 1.00 0.00 H new ATOM 0 HE1 TYR A2015 4.898 -8.155 -9.285 1.00 0.00 H new ATOM 0 HE2 TYR A2015 4.048 -8.639 -5.090 1.00 0.00 H new ATOM 0 HH TYR A2015 3.220 -10.041 -6.905 1.00 0.00 H new ATOM 1266 N PRO A2016 8.316 -1.990 -6.635 1.00 0.00 N ATOM 1267 CA PRO A2016 8.796 -0.776 -5.991 1.00 0.00 C ATOM 1268 C PRO A2016 7.780 0.372 -6.036 1.00 0.00 C ATOM 1269 O PRO A2016 8.112 1.448 -5.551 1.00 0.00 O ATOM 1270 CB PRO A2016 10.074 -0.427 -6.744 1.00 0.00 C ATOM 1271 CG PRO A2016 9.777 -0.918 -8.154 1.00 0.00 C ATOM 1272 CD PRO A2016 8.967 -2.186 -7.922 1.00 0.00 C ATOM 0 HA PRO A2016 8.965 -0.934 -4.926 1.00 0.00 H new ATOM 0 HB2 PRO A2016 10.277 0.644 -6.723 1.00 0.00 H new ATOM 0 HB3 PRO A2016 10.944 -0.925 -6.317 1.00 0.00 H new ATOM 0 HG2 PRO A2016 9.214 -0.181 -8.726 1.00 0.00 H new ATOM 0 HG3 PRO A2016 10.692 -1.122 -8.710 1.00 0.00 H new ATOM 0 HD2 PRO A2016 8.235 -2.337 -8.715 1.00 0.00 H new ATOM 0 HD3 PRO A2016 9.609 -3.067 -7.909 1.00 0.00 H new ATOM 1280 N THR A2017 6.594 0.206 -6.631 1.00 0.00 N ATOM 1281 CA THR A2017 5.569 1.239 -6.694 1.00 0.00 C ATOM 1282 C THR A2017 4.254 0.668 -6.156 1.00 0.00 C ATOM 1283 O THR A2017 4.016 -0.542 -6.186 1.00 0.00 O ATOM 1284 CB THR A2017 5.416 1.816 -8.109 1.00 0.00 C ATOM 1285 OG1 THR A2017 4.763 0.918 -8.978 1.00 0.00 O ATOM 1286 CG2 THR A2017 6.725 2.174 -8.809 1.00 0.00 C ATOM 0 H THR A2017 6.321 -0.664 -7.087 1.00 0.00 H new ATOM 0 HA THR A2017 5.872 2.078 -6.068 1.00 0.00 H new ATOM 0 HB THR A2017 4.840 2.724 -7.930 1.00 0.00 H new ATOM 0 HG1 THR A2017 4.684 1.322 -9.867 1.00 0.00 H new ATOM 0 HG21 THR A2017 6.510 2.573 -9.800 1.00 0.00 H new ATOM 0 HG22 THR A2017 7.257 2.924 -8.224 1.00 0.00 H new ATOM 0 HG23 THR A2017 7.343 1.281 -8.903 1.00 0.00 H new ATOM 1294 N LEU A2018 3.368 1.536 -5.677 1.00 0.00 N ATOM 1295 CA LEU A2018 2.065 1.179 -5.104 1.00 0.00 C ATOM 1296 C LEU A2018 1.156 0.537 -6.118 1.00 0.00 C ATOM 1297 O LEU A2018 0.369 -0.332 -5.747 1.00 0.00 O ATOM 1298 CB LEU A2018 1.334 2.453 -4.649 1.00 0.00 C ATOM 1299 CG LEU A2018 2.156 3.257 -3.651 1.00 0.00 C ATOM 1300 CD1 LEU A2018 1.627 4.662 -3.479 1.00 0.00 C ATOM 1301 CD2 LEU A2018 2.186 2.522 -2.321 1.00 0.00 C ATOM 0 H LEU A2018 3.539 2.542 -5.675 1.00 0.00 H new ATOM 0 HA LEU A2018 2.269 0.490 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A2018 1.111 3.073 -5.518 1.00 0.00 H new ATOM 0 HB3 LEU A2018 0.380 2.182 -4.197 1.00 0.00 H new ATOM 0 HG LEU A2018 3.170 3.352 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU A2018 2.245 5.198 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A2018 1.655 5.181 -4.437 1.00 0.00 H new ATOM 0 HD13 LEU A2018 0.599 4.622 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A2018 2.774 3.094 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A2018 1.169 2.405 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A2018 2.637 1.539 -2.458 1.00 0.00 H new ATOM 1313 N LEU A2019 1.244 0.975 -7.373 1.00 0.00 N ATOM 1314 CA LEU A2019 0.408 0.444 -8.438 1.00 0.00 C ATOM 1315 C LEU A2019 0.560 -1.071 -8.485 1.00 0.00 C ATOM 1316 O LEU A2019 -0.435 -1.797 -8.468 1.00 0.00 O ATOM 1317 CB LEU A2019 0.761 1.124 -9.772 1.00 0.00 C ATOM 1318 CG LEU A2019 0.207 2.551 -9.870 1.00 0.00 C ATOM 1319 CD1 LEU A2019 0.933 3.299 -10.983 1.00 0.00 C ATOM 1320 CD2 LEU A2019 -1.305 2.635 -10.095 1.00 0.00 C ATOM 0 H LEU A2019 1.893 1.702 -7.674 1.00 0.00 H new ATOM 0 HA LEU A2019 -0.643 0.662 -8.245 1.00 0.00 H new ATOM 0 HB2 LEU A2019 1.845 1.150 -9.887 1.00 0.00 H new ATOM 0 HB3 LEU A2019 0.367 0.528 -10.595 1.00 0.00 H new ATOM 0 HG LEU A2019 0.387 3.011 -8.898 1.00 0.00 H new ATOM 0 HD11 LEU A2019 0.541 4.314 -11.055 1.00 0.00 H new ATOM 0 HD12 LEU A2019 1.999 3.337 -10.761 1.00 0.00 H new ATOM 0 HD13 LEU A2019 0.778 2.782 -11.930 1.00 0.00 H new ATOM 0 HD21 LEU A2019 -1.607 3.681 -10.151 1.00 0.00 H new ATOM 0 HD22 LEU A2019 -1.563 2.132 -11.027 1.00 0.00 H new ATOM 0 HD23 LEU A2019 -1.823 2.152 -9.267 1.00 0.00 H new ATOM 1332 N GLU A2020 1.790 -1.556 -8.596 1.00 0.00 N ATOM 1333 CA GLU A2020 2.088 -2.976 -8.642 1.00 0.00 C ATOM 1334 C GLU A2020 1.994 -3.653 -7.273 1.00 0.00 C ATOM 1335 O GLU A2020 1.540 -4.795 -7.205 1.00 0.00 O ATOM 1336 CB GLU A2020 3.408 -3.237 -9.365 1.00 0.00 C ATOM 1337 CG GLU A2020 4.429 -2.098 -9.344 1.00 0.00 C ATOM 1338 CD GLU A2020 5.655 -2.360 -10.218 1.00 0.00 C ATOM 1339 OE1 GLU A2020 5.805 -3.497 -10.728 1.00 0.00 O ATOM 1340 OE2 GLU A2020 6.416 -1.387 -10.435 1.00 0.00 O ATOM 0 H GLU A2020 2.618 -0.963 -8.657 1.00 0.00 H new ATOM 0 HA GLU A2020 1.307 -3.453 -9.234 1.00 0.00 H new ATOM 0 HB2 GLU A2020 3.871 -4.120 -8.924 1.00 0.00 H new ATOM 0 HB3 GLU A2020 3.187 -3.479 -10.405 1.00 0.00 H new ATOM 0 HG2 GLU A2020 3.944 -1.181 -9.678 1.00 0.00 H new ATOM 0 HG3 GLU A2020 4.754 -1.931 -8.317 1.00 0.00 H new ATOM 1347 N LEU A2021 2.383 -2.972 -6.185 1.00 0.00 N ATOM 1348 CA LEU A2021 2.319 -3.534 -4.834 1.00 0.00 C ATOM 1349 C LEU A2021 0.869 -3.921 -4.549 1.00 0.00 C ATOM 1350 O LEU A2021 0.588 -5.064 -4.193 1.00 0.00 O ATOM 1351 CB LEU A2021 2.858 -2.539 -3.795 1.00 0.00 C ATOM 1352 CG LEU A2021 3.326 -3.250 -2.505 1.00 0.00 C ATOM 1353 CD1 LEU A2021 4.818 -3.566 -2.586 1.00 0.00 C ATOM 1354 CD2 LEU A2021 3.142 -2.346 -1.291 1.00 0.00 C ATOM 0 H LEU A2021 2.749 -2.020 -6.220 1.00 0.00 H new ATOM 0 HA LEU A2021 2.951 -4.420 -4.766 1.00 0.00 H new ATOM 0 HB2 LEU A2021 3.690 -1.981 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A2021 2.082 -1.815 -3.549 1.00 0.00 H new ATOM 0 HG LEU A2021 2.732 -4.158 -2.407 1.00 0.00 H new ATOM 0 HD11 LEU A2021 5.134 -4.067 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A2021 5.006 -4.217 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A2021 5.380 -2.640 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A2021 3.478 -2.867 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A2021 3.728 -1.436 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A2021 2.088 -2.087 -1.187 1.00 0.00 H new ATOM 1366 N SER A2022 -0.048 -2.969 -4.737 1.00 0.00 N ATOM 1367 CA SER A2022 -1.475 -3.147 -4.538 1.00 0.00 C ATOM 1368 C SER A2022 -1.979 -4.259 -5.457 1.00 0.00 C ATOM 1369 O SER A2022 -2.791 -5.084 -5.042 1.00 0.00 O ATOM 1370 CB SER A2022 -2.188 -1.824 -4.851 1.00 0.00 C ATOM 1371 OG SER A2022 -3.462 -1.828 -4.263 1.00 0.00 O ATOM 0 H SER A2022 0.197 -2.027 -5.041 1.00 0.00 H new ATOM 0 HA SER A2022 -1.682 -3.428 -3.505 1.00 0.00 H new ATOM 0 HB2 SER A2022 -1.604 -0.985 -4.472 1.00 0.00 H new ATOM 0 HB3 SER A2022 -2.274 -1.691 -5.929 1.00 0.00 H new ATOM 0 HG SER A2022 -4.072 -1.281 -4.801 1.00 0.00 H new ATOM 1377 N GLY A2023 -1.468 -4.288 -6.694 1.00 0.00 N ATOM 1378 CA GLY A2023 -1.815 -5.253 -7.728 1.00 0.00 C ATOM 1379 C GLY A2023 -1.614 -6.681 -7.255 1.00 0.00 C ATOM 1380 O GLY A2023 -2.321 -7.579 -7.713 1.00 0.00 O ATOM 0 H GLY A2023 -0.774 -3.610 -7.008 1.00 0.00 H new ATOM 0 HA2 GLY A2023 -2.854 -5.111 -8.024 1.00 0.00 H new ATOM 0 HA3 GLY A2023 -1.204 -5.074 -8.613 1.00 0.00 H new ATOM 1384 N TYR A2024 -0.649 -6.910 -6.365 1.00 0.00 N ATOM 1385 CA TYR A2024 -0.391 -8.233 -5.842 1.00 0.00 C ATOM 1386 C TYR A2024 -1.254 -8.474 -4.610 1.00 0.00 C ATOM 1387 O TYR A2024 -1.994 -9.449 -4.576 1.00 0.00 O ATOM 1388 CB TYR A2024 1.097 -8.382 -5.543 1.00 0.00 C ATOM 1389 CG TYR A2024 1.496 -9.792 -5.161 1.00 0.00 C ATOM 1390 CD1 TYR A2024 1.311 -10.839 -6.080 1.00 0.00 C ATOM 1391 CD2 TYR A2024 2.087 -10.054 -3.914 1.00 0.00 C ATOM 1392 CE1 TYR A2024 1.798 -12.126 -5.790 1.00 0.00 C ATOM 1393 CE2 TYR A2024 2.491 -11.356 -3.578 1.00 0.00 C ATOM 1394 CZ TYR A2024 2.369 -12.392 -4.525 1.00 0.00 C ATOM 1395 OH TYR A2024 2.797 -13.633 -4.183 1.00 0.00 O ATOM 0 H TYR A2024 -0.034 -6.185 -5.995 1.00 0.00 H new ATOM 0 HA TYR A2024 -0.656 -8.990 -6.580 1.00 0.00 H new ATOM 0 HB2 TYR A2024 1.668 -8.076 -6.419 1.00 0.00 H new ATOM 0 HB3 TYR A2024 1.367 -7.704 -4.733 1.00 0.00 H new ATOM 0 HD1 TYR A2024 0.794 -10.655 -7.010 1.00 0.00 H new ATOM 0 HD2 TYR A2024 2.232 -9.249 -3.209 1.00 0.00 H new ATOM 0 HE1 TYR A2024 1.736 -12.909 -6.532 1.00 0.00 H new ATOM 0 HE2 TYR A2024 2.894 -11.563 -2.597 1.00 0.00 H new ATOM 0 HH TYR A2024 3.160 -13.615 -3.273 1.00 0.00 H new ATOM 1405 N ILE A2025 -1.203 -7.579 -3.616 1.00 0.00 N ATOM 1406 CA ILE A2025 -1.957 -7.680 -2.361 1.00 0.00 C ATOM 1407 C ILE A2025 -3.431 -7.938 -2.619 1.00 0.00 C ATOM 1408 O ILE A2025 -3.994 -8.834 -1.986 1.00 0.00 O ATOM 1409 CB ILE A2025 -1.801 -6.370 -1.555 1.00 0.00 C ATOM 1410 CG1 ILE A2025 -0.320 -6.178 -1.176 1.00 0.00 C ATOM 1411 CG2 ILE A2025 -2.691 -6.308 -0.291 1.00 0.00 C ATOM 1412 CD1 ILE A2025 -0.100 -4.931 -0.329 1.00 0.00 C ATOM 0 H ILE A2025 -0.621 -6.743 -3.664 1.00 0.00 H new ATOM 0 HA ILE A2025 -1.556 -8.520 -1.794 1.00 0.00 H new ATOM 0 HB ILE A2025 -2.140 -5.558 -2.199 1.00 0.00 H new ATOM 0 HG12 ILE A2025 0.030 -7.053 -0.629 1.00 0.00 H new ATOM 0 HG13 ILE A2025 0.280 -6.109 -2.084 1.00 0.00 H new ATOM 0 HG21 ILE A2025 -2.528 -5.361 0.223 1.00 0.00 H new ATOM 0 HG22 ILE A2025 -3.739 -6.388 -0.580 1.00 0.00 H new ATOM 0 HG23 ILE A2025 -2.434 -7.131 0.376 1.00 0.00 H new ATOM 0 HD11 ILE A2025 0.959 -4.838 -0.087 1.00 0.00 H new ATOM 0 HD12 ILE A2025 -0.424 -4.051 -0.885 1.00 0.00 H new ATOM 0 HD13 ILE A2025 -0.677 -5.010 0.592 1.00 0.00 H new ATOM 1424 N ALA A2026 -4.047 -7.160 -3.512 1.00 0.00 N ATOM 1425 CA ALA A2026 -5.453 -7.300 -3.831 1.00 0.00 C ATOM 1426 C ALA A2026 -5.778 -8.736 -4.226 1.00 0.00 C ATOM 1427 O ALA A2026 -6.864 -9.196 -3.902 1.00 0.00 O ATOM 1428 CB ALA A2026 -5.852 -6.304 -4.926 1.00 0.00 C ATOM 0 H ALA A2026 -3.577 -6.417 -4.030 1.00 0.00 H new ATOM 0 HA ALA A2026 -6.040 -7.069 -2.942 1.00 0.00 H new ATOM 0 HB1 ALA A2026 -6.911 -6.421 -5.156 1.00 0.00 H new ATOM 0 HB2 ALA A2026 -5.666 -5.288 -4.579 1.00 0.00 H new ATOM 0 HB3 ALA A2026 -5.263 -6.495 -5.823 1.00 0.00 H new ATOM 1434 N GLN A2027 -4.867 -9.444 -4.903 1.00 0.00 N ATOM 1435 CA GLN A2027 -5.118 -10.821 -5.308 1.00 0.00 C ATOM 1436 C GLN A2027 -5.036 -11.761 -4.107 1.00 0.00 C ATOM 1437 O GLN A2027 -5.847 -12.674 -3.995 1.00 0.00 O ATOM 1438 CB GLN A2027 -4.119 -11.256 -6.392 1.00 0.00 C ATOM 1439 CG GLN A2027 -4.222 -10.435 -7.689 1.00 0.00 C ATOM 1440 CD GLN A2027 -5.437 -10.793 -8.545 1.00 0.00 C ATOM 1441 OE1 GLN A2027 -6.393 -11.430 -8.111 1.00 0.00 O ATOM 1442 NE2 GLN A2027 -5.450 -10.387 -9.803 1.00 0.00 N ATOM 0 H GLN A2027 -3.954 -9.083 -5.179 1.00 0.00 H new ATOM 0 HA GLN A2027 -6.125 -10.875 -5.721 1.00 0.00 H new ATOM 0 HB2 GLN A2027 -3.107 -11.170 -5.997 1.00 0.00 H new ATOM 0 HB3 GLN A2027 -4.283 -12.308 -6.624 1.00 0.00 H new ATOM 0 HG2 GLN A2027 -4.266 -9.376 -7.436 1.00 0.00 H new ATOM 0 HG3 GLN A2027 -3.317 -10.585 -8.277 1.00 0.00 H new ATOM 0 HE21 GLN A2027 -4.662 -9.857 -10.176 1.00 0.00 H new ATOM 0 HE22 GLN A2027 -6.248 -10.604 -10.401 1.00 0.00 H new ATOM 1451 N ILE A2028 -4.096 -11.527 -3.189 1.00 0.00 N ATOM 1452 CA ILE A2028 -3.906 -12.366 -2.011 1.00 0.00 C ATOM 1453 C ILE A2028 -5.168 -12.346 -1.164 1.00 0.00 C ATOM 1454 O ILE A2028 -5.744 -13.398 -0.895 1.00 0.00 O ATOM 1455 CB ILE A2028 -2.686 -11.902 -1.184 1.00 0.00 C ATOM 1456 CG1 ILE A2028 -1.433 -11.689 -2.047 1.00 0.00 C ATOM 1457 CG2 ILE A2028 -2.357 -12.904 -0.066 1.00 0.00 C ATOM 1458 CD1 ILE A2028 -0.260 -11.095 -1.271 1.00 0.00 C ATOM 0 H ILE A2028 -3.443 -10.745 -3.245 1.00 0.00 H new ATOM 0 HA ILE A2028 -3.710 -13.387 -2.338 1.00 0.00 H new ATOM 0 HB ILE A2028 -2.969 -10.944 -0.749 1.00 0.00 H new ATOM 0 HG12 ILE A2028 -1.129 -12.644 -2.477 1.00 0.00 H new ATOM 0 HG13 ILE A2028 -1.681 -11.030 -2.879 1.00 0.00 H new ATOM 0 HG21 ILE A2028 -1.494 -12.550 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A2028 -3.213 -12.998 0.602 1.00 0.00 H new ATOM 0 HG23 ILE A2028 -2.130 -13.876 -0.504 1.00 0.00 H new ATOM 0 HD11 ILE A2028 0.592 -10.970 -1.939 1.00 0.00 H new ATOM 0 HD12 ILE A2028 -0.547 -10.125 -0.864 1.00 0.00 H new ATOM 0 HD13 ILE A2028 0.013 -11.765 -0.455 1.00 0.00 H new ATOM 1470 N LEU A2029 -5.636 -11.160 -0.768 1.00 0.00 N ATOM 1471 CA LEU A2029 -6.839 -11.069 0.054 1.00 0.00 C ATOM 1472 C LEU A2029 -8.076 -11.524 -0.715 1.00 0.00 C ATOM 1473 O LEU A2029 -9.028 -12.030 -0.120 1.00 0.00 O ATOM 1474 CB LEU A2029 -7.007 -9.686 0.680 1.00 0.00 C ATOM 1475 CG LEU A2029 -7.014 -8.474 -0.261 1.00 0.00 C ATOM 1476 CD1 LEU A2029 -8.383 -8.204 -0.889 1.00 0.00 C ATOM 1477 CD2 LEU A2029 -6.554 -7.259 0.542 1.00 0.00 C ATOM 0 H LEU A2029 -5.207 -10.264 -1.000 1.00 0.00 H new ATOM 0 HA LEU A2029 -6.716 -11.760 0.888 1.00 0.00 H new ATOM 0 HB2 LEU A2029 -7.943 -9.682 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A2029 -6.203 -9.545 1.403 1.00 0.00 H new ATOM 0 HG LEU A2029 -6.341 -8.682 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A2029 -8.318 -7.334 -1.543 1.00 0.00 H new ATOM 0 HD12 LEU A2029 -8.695 -9.072 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A2029 -9.113 -8.013 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A2029 -6.548 -6.379 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A2029 -7.236 -7.095 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A2029 -5.549 -7.435 0.925 1.00 0.00 H new ATOM 1489 N SER A2030 -8.055 -11.381 -2.037 1.00 0.00 N ATOM 1490 CA SER A2030 -9.164 -11.791 -2.893 1.00 0.00 C ATOM 1491 C SER A2030 -9.236 -13.322 -2.943 1.00 0.00 C ATOM 1492 O SER A2030 -10.295 -13.896 -3.195 1.00 0.00 O ATOM 1493 CB SER A2030 -9.010 -11.172 -4.290 1.00 0.00 C ATOM 1494 OG SER A2030 -10.068 -11.485 -5.170 1.00 0.00 O ATOM 0 H SER A2030 -7.268 -10.977 -2.545 1.00 0.00 H new ATOM 0 HA SER A2030 -10.105 -11.427 -2.481 1.00 0.00 H new ATOM 0 HB2 SER A2030 -8.940 -10.089 -4.192 1.00 0.00 H new ATOM 0 HB3 SER A2030 -8.072 -11.514 -4.728 1.00 0.00 H new ATOM 0 HG SER A2030 -9.908 -11.059 -6.038 1.00 0.00 H new ATOM 1500 N SER A2031 -8.119 -13.987 -2.662 1.00 0.00 N ATOM 1501 CA SER A2031 -7.977 -15.430 -2.666 1.00 0.00 C ATOM 1502 C SER A2031 -8.250 -15.980 -1.264 1.00 0.00 C ATOM 1503 O SER A2031 -8.478 -17.178 -1.106 1.00 0.00 O ATOM 1504 CB SER A2031 -6.563 -15.731 -3.191 1.00 0.00 C ATOM 1505 OG SER A2031 -6.346 -17.100 -3.441 1.00 0.00 O ATOM 0 H SER A2031 -7.253 -13.508 -2.415 1.00 0.00 H new ATOM 0 HA SER A2031 -8.700 -15.925 -3.315 1.00 0.00 H new ATOM 0 HB2 SER A2031 -6.396 -15.169 -4.110 1.00 0.00 H new ATOM 0 HB3 SER A2031 -5.830 -15.380 -2.465 1.00 0.00 H new ATOM 0 HG SER A2031 -5.433 -17.231 -3.773 1.00 0.00 H new