USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=23 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: A1964 GLN :FLIP amide:sc= 0.896 F(o=1,f=2) USER MOD Set 1.2: A2002 THR OG1 : rot 163:sc= 1.07 USER MOD Single : A1955 SER OG : rot 25:sc= 0.0626 USER MOD Single : A1958 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.21) USER MOD Single : A1959 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1962 LYS NZ :NH3+ 173:sc= 0.874 (180deg=0.833) USER MOD Single : A1963 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.3) USER MOD Single : A1970 TYR OH : rot 180:sc= 0 USER MOD Single : A1971 THR OG1 : rot 142:sc= 0.169 USER MOD Single : A1974 SER OG : rot 180:sc= 0 USER MOD Single : A1980 GLN : amide:sc= -1.82! C(o=-1.8!,f=-2.8!) USER MOD Single : A1981 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.187) USER MOD Single : A1989 SER OG : rot 180:sc= 0 USER MOD Single : A1996 THR OG1 : rot -130:sc= 0 USER MOD Single : A1997 THR OG1 : rot 88:sc= 0.189 USER MOD Single : A1998 THR OG1 : rot 79:sc= 1.11 USER MOD Single : A2000 ASN : amide:sc= -0.588 K(o=-0.59,f=-8.1!) USER MOD Single : A2001 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2003 TYR OH : rot 180:sc=-0.00103 USER MOD Single : A2004 ASN : amide:sc= -0.0706 K(o=-0.071,f=-0.79) USER MOD Single : A2006 ASN : amide:sc= -0.278 K(o=-0.28,f=-1.8) 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 : A2011 LYS NZ :NH3+ 159:sc= -0.139 (180deg=-0.463) USER MOD Single : A2013 TYR OH : rot 180:sc= 0 USER MOD Single : A2015 TYR OH : rot -133:sc= 0.0969 USER MOD Single : A2017 THR OG1 : rot -93:sc= 0.774 USER MOD Single : A2022 SER OG : rot -130:sc= -0.0162 USER MOD Single : A2024 TYR OH : rot 180:sc= 0 USER MOD Single : A2027 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A2030 SER OG : rot 180:sc= 0 USER MOD Single : A2031 SER OG : rot -40:sc= 0.00764 USER MOD ----------------------------------------------------------------- ATOM 285 N SER A1955 -8.404 -0.086 -5.237 1.00 0.00 N ATOM 286 CA SER A1955 -8.316 1.337 -4.959 1.00 0.00 C ATOM 287 C SER A1955 -8.184 1.623 -3.468 1.00 0.00 C ATOM 288 O SER A1955 -7.397 2.487 -3.088 1.00 0.00 O ATOM 289 CB SER A1955 -9.567 2.042 -5.498 1.00 0.00 C ATOM 290 OG SER A1955 -9.718 1.847 -6.896 1.00 0.00 O ATOM 0 HA SER A1955 -7.420 1.714 -5.453 1.00 0.00 H new ATOM 0 HB2 SER A1955 -10.449 1.664 -4.981 1.00 0.00 H new ATOM 0 HB3 SER A1955 -9.504 3.109 -5.284 1.00 0.00 H new ATOM 0 HG SER A1955 -9.259 1.023 -7.163 1.00 0.00 H new ATOM 296 N GLU A1956 -8.976 0.933 -2.650 1.00 0.00 N ATOM 297 CA GLU A1956 -9.022 1.068 -1.200 1.00 0.00 C ATOM 298 C GLU A1956 -7.630 0.740 -0.646 1.00 0.00 C ATOM 299 O GLU A1956 -7.049 1.522 0.104 1.00 0.00 O ATOM 300 CB GLU A1956 -10.107 0.147 -0.605 1.00 0.00 C ATOM 301 CG GLU A1956 -11.437 0.020 -1.384 1.00 0.00 C ATOM 302 CD GLU A1956 -12.605 0.956 -1.083 1.00 0.00 C ATOM 303 OE1 GLU A1956 -12.466 1.886 -0.264 1.00 0.00 O ATOM 304 OE2 GLU A1956 -13.655 0.726 -1.744 1.00 0.00 O ATOM 0 H GLU A1956 -9.632 0.234 -2.998 1.00 0.00 H new ATOM 0 HA GLU A1956 -9.288 2.087 -0.920 1.00 0.00 H new ATOM 0 HB2 GLU A1956 -9.681 -0.851 -0.500 1.00 0.00 H new ATOM 0 HB3 GLU A1956 -10.337 0.503 0.399 1.00 0.00 H new ATOM 0 HG2 GLU A1956 -11.201 0.130 -2.443 1.00 0.00 H new ATOM 0 HG3 GLU A1956 -11.797 -0.999 -1.242 1.00 0.00 H new ATOM 311 N ILE A1957 -7.056 -0.390 -1.077 1.00 0.00 N ATOM 312 CA ILE A1957 -5.733 -0.827 -0.645 1.00 0.00 C ATOM 313 C ILE A1957 -4.702 0.206 -1.068 1.00 0.00 C ATOM 314 O ILE A1957 -3.913 0.657 -0.248 1.00 0.00 O ATOM 315 CB ILE A1957 -5.380 -2.181 -1.292 1.00 0.00 C ATOM 316 CG1 ILE A1957 -6.349 -3.277 -0.828 1.00 0.00 C ATOM 317 CG2 ILE A1957 -3.916 -2.628 -1.061 1.00 0.00 C ATOM 318 CD1 ILE A1957 -6.445 -4.363 -1.896 1.00 0.00 C ATOM 0 H ILE A1957 -7.502 -1.026 -1.738 1.00 0.00 H new ATOM 0 HA ILE A1957 -5.734 -0.937 0.439 1.00 0.00 H new ATOM 0 HB ILE A1957 -5.485 -2.027 -2.366 1.00 0.00 H new ATOM 0 HG12 ILE A1957 -6.004 -3.707 0.112 1.00 0.00 H new ATOM 0 HG13 ILE A1957 -7.334 -2.850 -0.640 1.00 0.00 H new ATOM 0 HG21 ILE A1957 -3.748 -3.589 -1.547 1.00 0.00 H new ATOM 0 HG22 ILE A1957 -3.238 -1.885 -1.481 1.00 0.00 H new ATOM 0 HG23 ILE A1957 -3.730 -2.725 0.009 1.00 0.00 H new ATOM 0 HD11 ILE A1957 -7.134 -5.140 -1.564 1.00 0.00 H new ATOM 0 HD12 ILE A1957 -6.810 -3.927 -2.826 1.00 0.00 H new ATOM 0 HD13 ILE A1957 -5.460 -4.798 -2.062 1.00 0.00 H new ATOM 330 N LYS A1958 -4.706 0.597 -2.342 1.00 0.00 N ATOM 331 CA LYS A1958 -3.758 1.543 -2.904 1.00 0.00 C ATOM 332 C LYS A1958 -3.644 2.822 -2.085 1.00 0.00 C ATOM 333 O LYS A1958 -2.529 3.294 -1.851 1.00 0.00 O ATOM 334 CB LYS A1958 -4.143 1.825 -4.355 1.00 0.00 C ATOM 335 CG LYS A1958 -3.118 2.742 -5.033 1.00 0.00 C ATOM 336 CD LYS A1958 -3.488 3.036 -6.481 1.00 0.00 C ATOM 337 CE LYS A1958 -4.876 3.677 -6.577 1.00 0.00 C ATOM 338 NZ LYS A1958 -5.150 4.207 -7.919 1.00 0.00 N ATOM 0 H LYS A1958 -5.385 0.254 -3.022 1.00 0.00 H new ATOM 0 HA LYS A1958 -2.764 1.096 -2.874 1.00 0.00 H new ATOM 0 HB2 LYS A1958 -4.214 0.886 -4.904 1.00 0.00 H new ATOM 0 HB3 LYS A1958 -5.129 2.289 -4.389 1.00 0.00 H new ATOM 0 HG2 LYS A1958 -3.047 3.678 -4.479 1.00 0.00 H new ATOM 0 HG3 LYS A1958 -2.134 2.275 -4.998 1.00 0.00 H new ATOM 0 HD2 LYS A1958 -2.746 3.702 -6.921 1.00 0.00 H new ATOM 0 HD3 LYS A1958 -3.470 2.112 -7.059 1.00 0.00 H new ATOM 0 HE2 LYS A1958 -5.634 2.938 -6.318 1.00 0.00 H new ATOM 0 HE3 LYS A1958 -4.954 4.483 -5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A1958 -6.029 4.763 -7.900 1.00 0.00 H new ATOM 0 HZ2 LYS A1958 -4.362 4.816 -8.219 1.00 0.00 H new ATOM 0 HZ3 LYS A1958 -5.253 3.419 -8.589 1.00 0.00 H new ATOM 352 N GLN A1959 -4.772 3.422 -1.704 1.00 0.00 N ATOM 353 CA GLN A1959 -4.712 4.645 -0.917 1.00 0.00 C ATOM 354 C GLN A1959 -4.182 4.348 0.494 1.00 0.00 C ATOM 355 O GLN A1959 -3.367 5.121 0.991 1.00 0.00 O ATOM 356 CB GLN A1959 -6.047 5.404 -0.921 1.00 0.00 C ATOM 357 CG GLN A1959 -7.254 4.596 -0.436 1.00 0.00 C ATOM 358 CD GLN A1959 -8.552 5.364 -0.622 1.00 0.00 C ATOM 359 OE1 GLN A1959 -9.041 5.529 -1.744 1.00 0.00 O ATOM 360 NE2 GLN A1959 -9.119 5.847 0.466 1.00 0.00 N ATOM 0 H GLN A1959 -5.712 3.090 -1.922 1.00 0.00 H new ATOM 0 HA GLN A1959 -4.001 5.323 -1.389 1.00 0.00 H new ATOM 0 HB2 GLN A1959 -5.946 6.289 -0.293 1.00 0.00 H new ATOM 0 HB3 GLN A1959 -6.246 5.753 -1.934 1.00 0.00 H new ATOM 0 HG2 GLN A1959 -7.306 3.655 -0.983 1.00 0.00 H new ATOM 0 HG3 GLN A1959 -7.126 4.346 0.617 1.00 0.00 H new ATOM 0 HE21 GLN A1959 -8.688 5.692 1.377 1.00 0.00 H new ATOM 0 HE22 GLN A1959 -9.989 6.375 0.396 1.00 0.00 H new ATOM 369 N VAL A1960 -4.573 3.228 1.119 1.00 0.00 N ATOM 370 CA VAL A1960 -4.097 2.883 2.458 1.00 0.00 C ATOM 371 C VAL A1960 -2.591 2.690 2.400 1.00 0.00 C ATOM 372 O VAL A1960 -1.869 3.203 3.250 1.00 0.00 O ATOM 373 CB VAL A1960 -4.794 1.617 2.985 1.00 0.00 C ATOM 374 CG1 VAL A1960 -4.067 1.020 4.208 1.00 0.00 C ATOM 375 CG2 VAL A1960 -6.251 1.919 3.338 1.00 0.00 C ATOM 0 H VAL A1960 -5.218 2.548 0.715 1.00 0.00 H new ATOM 0 HA VAL A1960 -4.337 3.691 3.149 1.00 0.00 H new ATOM 0 HB VAL A1960 -4.761 0.875 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A1960 -4.595 0.128 4.545 1.00 0.00 H new ATOM 0 HG12 VAL A1960 -3.047 0.755 3.931 1.00 0.00 H new ATOM 0 HG13 VAL A1960 -4.045 1.755 5.013 1.00 0.00 H new ATOM 0 HG21 VAL A1960 -6.731 1.013 3.709 1.00 0.00 H new ATOM 0 HG22 VAL A1960 -6.287 2.690 4.107 1.00 0.00 H new ATOM 0 HG23 VAL A1960 -6.776 2.269 2.449 1.00 0.00 H new ATOM 385 N LEU A1961 -2.101 1.955 1.396 1.00 0.00 N ATOM 386 CA LEU A1961 -0.685 1.711 1.227 1.00 0.00 C ATOM 387 C LEU A1961 0.047 3.044 1.273 1.00 0.00 C ATOM 388 O LEU A1961 1.037 3.154 1.987 1.00 0.00 O ATOM 389 CB LEU A1961 -0.363 1.061 -0.119 1.00 0.00 C ATOM 390 CG LEU A1961 -0.738 -0.393 -0.336 1.00 0.00 C ATOM 391 CD1 LEU A1961 -0.359 -0.780 -1.764 1.00 0.00 C ATOM 392 CD2 LEU A1961 -0.104 -1.315 0.703 1.00 0.00 C ATOM 0 H LEU A1961 -2.684 1.517 0.683 1.00 0.00 H new ATOM 0 HA LEU A1961 -0.373 1.037 2.025 1.00 0.00 H new ATOM 0 HB2 LEU A1961 -0.854 1.648 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A1961 0.711 1.153 -0.282 1.00 0.00 H new ATOM 0 HG LEU A1961 -1.813 -0.512 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A1961 -0.621 -1.823 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A1961 -0.899 -0.147 -2.468 1.00 0.00 H new ATOM 0 HD13 LEU A1961 0.714 -0.647 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A1961 -0.402 -2.345 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A1961 0.982 -1.234 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A1961 -0.438 -1.025 1.699 1.00 0.00 H new ATOM 404 N LYS A1962 -0.436 4.038 0.515 1.00 0.00 N ATOM 405 CA LYS A1962 0.154 5.360 0.444 1.00 0.00 C ATOM 406 C LYS A1962 0.329 5.925 1.847 1.00 0.00 C ATOM 407 O LYS A1962 1.425 6.352 2.194 1.00 0.00 O ATOM 408 CB LYS A1962 -0.716 6.272 -0.442 1.00 0.00 C ATOM 409 CG LYS A1962 0.126 7.421 -0.997 1.00 0.00 C ATOM 410 CD LYS A1962 -0.658 8.473 -1.784 1.00 0.00 C ATOM 411 CE LYS A1962 -1.052 8.071 -3.195 1.00 0.00 C ATOM 412 NZ LYS A1962 -2.370 7.398 -3.264 1.00 0.00 N ATOM 0 H LYS A1962 -1.263 3.933 -0.073 1.00 0.00 H new ATOM 0 HA LYS A1962 1.142 5.301 -0.012 1.00 0.00 H new ATOM 0 HB2 LYS A1962 -1.144 5.695 -1.262 1.00 0.00 H new ATOM 0 HB3 LYS A1962 -1.549 6.668 0.138 1.00 0.00 H new ATOM 0 HG2 LYS A1962 0.634 7.913 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS A1962 0.899 7.006 -1.644 1.00 0.00 H new ATOM 0 HD2 LYS A1962 -1.563 8.718 -1.228 1.00 0.00 H new ATOM 0 HD3 LYS A1962 -0.060 9.383 -1.837 1.00 0.00 H new ATOM 0 HE2 LYS A1962 -1.071 8.959 -3.827 1.00 0.00 H new ATOM 0 HE3 LYS A1962 -0.290 7.406 -3.603 1.00 0.00 H new ATOM 0 HZ1 LYS A1962 -2.635 7.256 -4.259 1.00 0.00 H new ATOM 0 HZ2 LYS A1962 -2.315 6.476 -2.785 1.00 0.00 H new ATOM 0 HZ3 LYS A1962 -3.086 7.989 -2.796 1.00 0.00 H new ATOM 426 N GLN A1963 -0.731 5.887 2.648 1.00 0.00 N ATOM 427 CA GLN A1963 -0.747 6.401 4.005 1.00 0.00 C ATOM 428 C GLN A1963 0.226 5.667 4.931 1.00 0.00 C ATOM 429 O GLN A1963 0.874 6.282 5.768 1.00 0.00 O ATOM 430 CB GLN A1963 -2.214 6.360 4.520 1.00 0.00 C ATOM 431 CG GLN A1963 -2.475 5.334 5.640 1.00 0.00 C ATOM 432 CD GLN A1963 -3.916 4.931 5.905 1.00 0.00 C ATOM 433 OE1 GLN A1963 -4.808 5.115 5.079 1.00 0.00 O ATOM 434 NE2 GLN A1963 -4.147 4.265 7.022 1.00 0.00 N ATOM 0 H GLN A1963 -1.624 5.487 2.360 1.00 0.00 H new ATOM 0 HA GLN A1963 -0.392 7.431 4.004 1.00 0.00 H new ATOM 0 HB2 GLN A1963 -2.485 7.351 4.884 1.00 0.00 H new ATOM 0 HB3 GLN A1963 -2.873 6.137 3.681 1.00 0.00 H new ATOM 0 HG2 GLN A1963 -1.912 4.431 5.406 1.00 0.00 H new ATOM 0 HG3 GLN A1963 -2.063 5.736 6.566 1.00 0.00 H new ATOM 0 HE21 GLN A1963 -3.394 4.122 7.696 1.00 0.00 H new ATOM 0 HE22 GLN A1963 -5.078 3.893 7.211 1.00 0.00 H new ATOM 443 N GLN A1964 0.336 4.345 4.800 1.00 0.00 N ATOM 444 CA GLN A1964 1.177 3.537 5.656 1.00 0.00 C ATOM 445 C GLN A1964 2.630 3.843 5.358 1.00 0.00 C ATOM 446 O GLN A1964 3.457 3.965 6.259 1.00 0.00 O ATOM 447 CB GLN A1964 0.827 2.055 5.442 1.00 0.00 C ATOM 448 CG GLN A1964 -0.637 1.745 5.791 1.00 0.00 C ATOM 449 CD GLN A1964 -0.789 0.693 6.874 1.00 0.00 C ATOM 450 OE1 GLN A1964 -0.922 -0.552 6.473 1.00 0.00 O flip ATOM 451 NE2 GLN A1964 -0.823 0.991 8.066 1.00 0.00 N flip ATOM 0 H GLN A1964 -0.163 3.810 4.089 1.00 0.00 H new ATOM 0 HA GLN A1964 1.006 3.767 6.708 1.00 0.00 H new ATOM 0 HB2 GLN A1964 1.015 1.786 4.403 1.00 0.00 H new ATOM 0 HB3 GLN A1964 1.483 1.437 6.055 1.00 0.00 H new ATOM 0 HG2 GLN A1964 -1.128 2.663 6.115 1.00 0.00 H new ATOM 0 HG3 GLN A1964 -1.153 1.408 4.892 1.00 0.00 H new ATOM 0 HE21 GLN A1964 -0.717 1.964 8.352 1.00 0.00 H new ATOM 0 HE22 GLN A1964 -0.957 0.265 8.770 1.00 0.00 H new ATOM 460 N LEU A1965 2.932 3.929 4.068 1.00 0.00 N ATOM 461 CA LEU A1965 4.268 4.202 3.596 1.00 0.00 C ATOM 462 C LEU A1965 4.648 5.639 3.940 1.00 0.00 C ATOM 463 O LEU A1965 5.810 5.883 4.241 1.00 0.00 O ATOM 464 CB LEU A1965 4.356 3.834 2.097 1.00 0.00 C ATOM 465 CG LEU A1965 4.779 4.967 1.162 1.00 0.00 C ATOM 466 CD1 LEU A1965 6.301 5.068 1.135 1.00 0.00 C ATOM 467 CD2 LEU A1965 4.280 4.717 -0.251 1.00 0.00 C ATOM 0 H LEU A1965 2.247 3.809 3.322 1.00 0.00 H new ATOM 0 HA LEU A1965 5.013 3.584 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A1965 5.062 3.011 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A1965 3.382 3.465 1.774 1.00 0.00 H new ATOM 0 HG LEU A1965 4.345 5.895 1.534 1.00 0.00 H new ATOM 0 HD11 LEU A1965 6.600 5.876 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A1965 6.670 5.272 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A1965 6.722 4.128 0.778 1.00 0.00 H new ATOM 0 HD21 LEU A1965 4.593 5.536 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A1965 4.696 3.781 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A1965 3.192 4.654 -0.247 1.00 0.00 H new ATOM 479 N ALA A1966 3.685 6.566 3.958 1.00 0.00 N ATOM 480 CA ALA A1966 3.957 7.949 4.258 1.00 0.00 C ATOM 481 C ALA A1966 4.632 8.074 5.614 1.00 0.00 C ATOM 482 O ALA A1966 5.712 8.643 5.729 1.00 0.00 O ATOM 483 CB ALA A1966 2.665 8.762 4.210 1.00 0.00 C ATOM 0 H ALA A1966 2.704 6.366 3.764 1.00 0.00 H new ATOM 0 HA ALA A1966 4.638 8.347 3.506 1.00 0.00 H new ATOM 0 HB1 ALA A1966 2.883 9.805 4.438 1.00 0.00 H new ATOM 0 HB2 ALA A1966 2.228 8.692 3.214 1.00 0.00 H new ATOM 0 HB3 ALA A1966 1.961 8.370 4.944 1.00 0.00 H new ATOM 489 N GLU A1967 4.039 7.469 6.637 1.00 0.00 N ATOM 490 CA GLU A1967 4.607 7.552 7.975 1.00 0.00 C ATOM 491 C GLU A1967 5.929 6.807 8.059 1.00 0.00 C ATOM 492 O GLU A1967 6.805 7.206 8.824 1.00 0.00 O ATOM 493 CB GLU A1967 3.635 7.036 9.028 1.00 0.00 C ATOM 494 CG GLU A1967 2.210 7.505 8.754 1.00 0.00 C ATOM 495 CD GLU A1967 1.288 7.363 9.962 1.00 0.00 C ATOM 496 OE1 GLU A1967 1.545 6.481 10.821 1.00 0.00 O ATOM 497 OE2 GLU A1967 0.267 8.089 10.015 1.00 0.00 O ATOM 0 H GLU A1967 3.179 6.924 6.567 1.00 0.00 H new ATOM 0 HA GLU A1967 4.795 8.606 8.180 1.00 0.00 H new ATOM 0 HB2 GLU A1967 3.663 5.947 9.047 1.00 0.00 H new ATOM 0 HB3 GLU A1967 3.949 7.380 10.014 1.00 0.00 H new ATOM 0 HG2 GLU A1967 2.232 8.549 8.442 1.00 0.00 H new ATOM 0 HG3 GLU A1967 1.799 6.932 7.922 1.00 0.00 H new ATOM 504 N ALA A1968 6.066 5.744 7.262 1.00 0.00 N ATOM 505 CA ALA A1968 7.274 4.932 7.203 1.00 0.00 C ATOM 506 C ALA A1968 8.450 5.743 6.653 1.00 0.00 C ATOM 507 O ALA A1968 9.600 5.375 6.872 1.00 0.00 O ATOM 508 CB ALA A1968 7.045 3.710 6.320 1.00 0.00 C ATOM 0 H ALA A1968 5.329 5.423 6.634 1.00 0.00 H new ATOM 0 HA ALA A1968 7.512 4.609 8.216 1.00 0.00 H new ATOM 0 HB1 ALA A1968 7.955 3.111 6.284 1.00 0.00 H new ATOM 0 HB2 ALA A1968 6.233 3.111 6.731 1.00 0.00 H new ATOM 0 HB3 ALA A1968 6.783 4.033 5.312 1.00 0.00 H new ATOM 514 N LEU A1969 8.160 6.814 5.904 1.00 0.00 N ATOM 515 CA LEU A1969 9.137 7.715 5.313 1.00 0.00 C ATOM 516 C LEU A1969 9.073 9.087 6.007 1.00 0.00 C ATOM 517 O LEU A1969 9.656 10.050 5.508 1.00 0.00 O ATOM 518 CB LEU A1969 8.918 7.875 3.796 1.00 0.00 C ATOM 519 CG LEU A1969 9.106 6.615 2.940 1.00 0.00 C ATOM 520 CD1 LEU A1969 9.150 7.020 1.470 1.00 0.00 C ATOM 521 CD2 LEU A1969 10.407 5.862 3.244 1.00 0.00 C ATOM 0 H LEU A1969 7.199 7.080 5.689 1.00 0.00 H new ATOM 0 HA LEU A1969 10.126 7.280 5.460 1.00 0.00 H new ATOM 0 HB2 LEU A1969 7.907 8.249 3.635 1.00 0.00 H new ATOM 0 HB3 LEU A1969 9.603 8.640 3.431 1.00 0.00 H new ATOM 0 HG LEU A1969 8.270 5.955 3.170 1.00 0.00 H new ATOM 0 HD11 LEU A1969 9.283 6.132 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A1969 8.216 7.513 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A1969 9.982 7.705 1.306 1.00 0.00 H new ATOM 0 HD21 LEU A1969 10.476 4.982 2.604 1.00 0.00 H new ATOM 0 HD22 LEU A1969 11.258 6.516 3.056 1.00 0.00 H new ATOM 0 HD23 LEU A1969 10.412 5.552 4.289 1.00 0.00 H new ATOM 533 N TYR A1970 8.367 9.199 7.139 1.00 0.00 N ATOM 534 CA TYR A1970 8.184 10.418 7.922 1.00 0.00 C ATOM 535 C TYR A1970 7.594 11.572 7.087 1.00 0.00 C ATOM 536 O TYR A1970 7.915 12.743 7.320 1.00 0.00 O ATOM 537 CB TYR A1970 9.489 10.799 8.639 1.00 0.00 C ATOM 538 CG TYR A1970 10.143 9.689 9.441 1.00 0.00 C ATOM 539 CD1 TYR A1970 9.703 9.411 10.747 1.00 0.00 C ATOM 540 CD2 TYR A1970 11.225 8.969 8.901 1.00 0.00 C ATOM 541 CE1 TYR A1970 10.328 8.410 11.512 1.00 0.00 C ATOM 542 CE2 TYR A1970 11.855 7.964 9.658 1.00 0.00 C ATOM 543 CZ TYR A1970 11.403 7.677 10.967 1.00 0.00 C ATOM 544 OH TYR A1970 12.016 6.720 11.722 1.00 0.00 O ATOM 0 H TYR A1970 7.886 8.399 7.550 1.00 0.00 H new ATOM 0 HA TYR A1970 7.439 10.215 8.691 1.00 0.00 H new ATOM 0 HB2 TYR A1970 10.202 11.154 7.894 1.00 0.00 H new ATOM 0 HB3 TYR A1970 9.285 11.635 9.308 1.00 0.00 H new ATOM 0 HD1 TYR A1970 8.879 9.970 11.166 1.00 0.00 H new ATOM 0 HD2 TYR A1970 11.573 9.189 7.902 1.00 0.00 H new ATOM 0 HE1 TYR A1970 9.986 8.203 12.515 1.00 0.00 H new ATOM 0 HE2 TYR A1970 12.684 7.412 9.239 1.00 0.00 H new ATOM 0 HH TYR A1970 12.736 6.305 11.203 1.00 0.00 H new ATOM 554 N THR A1971 6.731 11.264 6.121 1.00 0.00 N ATOM 555 CA THR A1971 6.074 12.195 5.208 1.00 0.00 C ATOM 556 C THR A1971 4.550 12.024 5.315 1.00 0.00 C ATOM 557 O THR A1971 4.048 11.476 6.306 1.00 0.00 O ATOM 558 CB THR A1971 6.650 11.955 3.792 1.00 0.00 C ATOM 559 OG1 THR A1971 6.324 13.023 2.944 1.00 0.00 O ATOM 560 CG2 THR A1971 6.126 10.682 3.116 1.00 0.00 C ATOM 0 H THR A1971 6.455 10.298 5.945 1.00 0.00 H new ATOM 0 HA THR A1971 6.269 13.237 5.462 1.00 0.00 H new ATOM 0 HB THR A1971 7.725 11.856 3.940 1.00 0.00 H new ATOM 0 HG1 THR A1971 7.080 13.211 2.349 1.00 0.00 H new ATOM 0 HG21 THR A1971 6.575 10.583 2.128 1.00 0.00 H new ATOM 0 HG22 THR A1971 6.387 9.814 3.722 1.00 0.00 H new ATOM 0 HG23 THR A1971 5.042 10.742 3.017 1.00 0.00 H new ATOM 568 N GLU A1972 3.808 12.548 4.338 1.00 0.00 N ATOM 569 CA GLU A1972 2.367 12.483 4.209 1.00 0.00 C ATOM 570 C GLU A1972 2.003 11.928 2.837 1.00 0.00 C ATOM 571 O GLU A1972 2.645 12.230 1.834 1.00 0.00 O ATOM 572 CB GLU A1972 1.735 13.852 4.465 1.00 0.00 C ATOM 573 CG GLU A1972 1.968 14.897 3.366 1.00 0.00 C ATOM 574 CD GLU A1972 1.311 16.231 3.713 1.00 0.00 C ATOM 575 OE1 GLU A1972 0.207 16.228 4.308 1.00 0.00 O ATOM 576 OE2 GLU A1972 1.915 17.277 3.384 1.00 0.00 O ATOM 0 H GLU A1972 4.236 13.062 3.568 1.00 0.00 H new ATOM 0 HA GLU A1972 1.965 11.808 4.964 1.00 0.00 H new ATOM 0 HB2 GLU A1972 0.661 13.719 4.596 1.00 0.00 H new ATOM 0 HB3 GLU A1972 2.124 14.244 5.405 1.00 0.00 H new ATOM 0 HG2 GLU A1972 3.039 15.044 3.223 1.00 0.00 H new ATOM 0 HG3 GLU A1972 1.568 14.528 2.421 1.00 0.00 H new ATOM 583 N GLU A1973 0.943 11.128 2.760 1.00 0.00 N ATOM 584 CA GLU A1973 0.504 10.567 1.485 1.00 0.00 C ATOM 585 C GLU A1973 0.063 11.650 0.513 1.00 0.00 C ATOM 586 O GLU A1973 0.007 11.413 -0.692 1.00 0.00 O ATOM 587 CB GLU A1973 -0.565 9.497 1.665 1.00 0.00 C ATOM 588 CG GLU A1973 -1.771 9.770 2.558 1.00 0.00 C ATOM 589 CD GLU A1973 -3.066 9.889 1.748 1.00 0.00 C ATOM 590 OE1 GLU A1973 -3.660 8.873 1.320 1.00 0.00 O ATOM 591 OE2 GLU A1973 -3.522 11.037 1.533 1.00 0.00 O ATOM 0 H GLU A1973 0.374 10.854 3.561 1.00 0.00 H new ATOM 0 HA GLU A1973 1.370 10.074 1.044 1.00 0.00 H new ATOM 0 HB2 GLU A1973 -0.945 9.247 0.674 1.00 0.00 H new ATOM 0 HB3 GLU A1973 -0.070 8.606 2.051 1.00 0.00 H new ATOM 0 HG2 GLU A1973 -1.872 8.967 3.288 1.00 0.00 H new ATOM 0 HG3 GLU A1973 -1.607 10.691 3.118 1.00 0.00 H new ATOM 598 N SER A1974 -0.242 12.838 1.024 1.00 0.00 N ATOM 599 CA SER A1974 -0.650 13.948 0.199 1.00 0.00 C ATOM 600 C SER A1974 0.449 14.319 -0.817 1.00 0.00 C ATOM 601 O SER A1974 0.130 14.981 -1.809 1.00 0.00 O ATOM 602 CB SER A1974 -1.048 15.138 1.086 1.00 0.00 C ATOM 603 OG SER A1974 -2.446 15.357 1.040 1.00 0.00 O ATOM 0 H SER A1974 -0.211 13.049 2.021 1.00 0.00 H new ATOM 0 HA SER A1974 -1.524 13.657 -0.383 1.00 0.00 H new ATOM 0 HB2 SER A1974 -0.739 14.950 2.114 1.00 0.00 H new ATOM 0 HB3 SER A1974 -0.524 16.035 0.755 1.00 0.00 H new ATOM 0 HG SER A1974 -2.677 16.118 1.613 1.00 0.00 H new ATOM 609 N GLU A1975 1.705 13.889 -0.606 1.00 0.00 N ATOM 610 CA GLU A1975 2.827 14.163 -1.513 1.00 0.00 C ATOM 611 C GLU A1975 3.404 12.893 -2.166 1.00 0.00 C ATOM 612 O GLU A1975 4.489 12.938 -2.746 1.00 0.00 O ATOM 613 CB GLU A1975 3.887 15.033 -0.816 1.00 0.00 C ATOM 614 CG GLU A1975 4.619 14.368 0.356 1.00 0.00 C ATOM 615 CD GLU A1975 5.776 15.249 0.840 1.00 0.00 C ATOM 616 OE1 GLU A1975 5.518 16.360 1.364 1.00 0.00 O ATOM 617 OE2 GLU A1975 6.967 14.869 0.701 1.00 0.00 O ATOM 0 H GLU A1975 1.970 13.336 0.209 1.00 0.00 H new ATOM 0 HA GLU A1975 2.438 14.741 -2.352 1.00 0.00 H new ATOM 0 HB2 GLU A1975 4.626 15.338 -1.557 1.00 0.00 H new ATOM 0 HB3 GLU A1975 3.405 15.941 -0.453 1.00 0.00 H new ATOM 0 HG2 GLU A1975 3.921 14.193 1.175 1.00 0.00 H new ATOM 0 HG3 GLU A1975 5.000 13.394 0.048 1.00 0.00 H new ATOM 624 N ILE A1976 2.697 11.759 -2.121 1.00 0.00 N ATOM 625 CA ILE A1976 3.176 10.501 -2.694 1.00 0.00 C ATOM 626 C ILE A1976 2.413 10.136 -3.963 1.00 0.00 C ATOM 627 O ILE A1976 1.180 10.075 -3.980 1.00 0.00 O ATOM 628 CB ILE A1976 3.074 9.390 -1.637 1.00 0.00 C ATOM 629 CG1 ILE A1976 3.926 9.754 -0.414 1.00 0.00 C ATOM 630 CG2 ILE A1976 3.435 7.995 -2.189 1.00 0.00 C ATOM 631 CD1 ILE A1976 3.798 8.722 0.693 1.00 0.00 C ATOM 0 H ILE A1976 1.777 11.690 -1.686 1.00 0.00 H new ATOM 0 HA ILE A1976 4.220 10.621 -2.983 1.00 0.00 H new ATOM 0 HB ILE A1976 2.029 9.322 -1.334 1.00 0.00 H new ATOM 0 HG12 ILE A1976 4.971 9.839 -0.712 1.00 0.00 H new ATOM 0 HG13 ILE A1976 3.622 10.730 -0.037 1.00 0.00 H new ATOM 0 HG21 ILE A1976 3.344 7.254 -1.394 1.00 0.00 H new ATOM 0 HG22 ILE A1976 2.757 7.739 -3.003 1.00 0.00 H new ATOM 0 HG23 ILE A1976 4.460 8.005 -2.560 1.00 0.00 H new ATOM 0 HD11 ILE A1976 4.417 9.018 1.540 1.00 0.00 H new ATOM 0 HD12 ILE A1976 2.757 8.656 1.010 1.00 0.00 H new ATOM 0 HD13 ILE A1976 4.128 7.751 0.325 1.00 0.00 H new ATOM 643 N ALA A1977 3.156 9.880 -5.034 1.00 0.00 N ATOM 644 CA ALA A1977 2.607 9.479 -6.322 1.00 0.00 C ATOM 645 C ALA A1977 2.379 7.959 -6.296 1.00 0.00 C ATOM 646 O ALA A1977 3.027 7.231 -5.542 1.00 0.00 O ATOM 647 CB ALA A1977 3.558 9.914 -7.430 1.00 0.00 C ATOM 0 H ALA A1977 4.174 9.947 -5.030 1.00 0.00 H new ATOM 0 HA ALA A1977 1.649 9.960 -6.518 1.00 0.00 H new ATOM 0 HB1 ALA A1977 3.151 9.616 -8.396 1.00 0.00 H new ATOM 0 HB2 ALA A1977 3.675 10.997 -7.404 1.00 0.00 H new ATOM 0 HB3 ALA A1977 4.529 9.440 -7.283 1.00 0.00 H new ATOM 653 N GLU A1978 1.495 7.442 -7.149 1.00 0.00 N ATOM 654 CA GLU A1978 1.153 6.013 -7.203 1.00 0.00 C ATOM 655 C GLU A1978 2.063 5.173 -8.093 1.00 0.00 C ATOM 656 O GLU A1978 2.120 3.956 -7.928 1.00 0.00 O ATOM 657 CB GLU A1978 -0.328 5.868 -7.599 1.00 0.00 C ATOM 658 CG GLU A1978 -1.224 6.590 -6.584 1.00 0.00 C ATOM 659 CD GLU A1978 -2.727 6.445 -6.809 1.00 0.00 C ATOM 660 OE1 GLU A1978 -3.184 6.118 -7.929 1.00 0.00 O ATOM 661 OE2 GLU A1978 -3.461 6.646 -5.812 1.00 0.00 O ATOM 0 H GLU A1978 0.988 8.006 -7.831 1.00 0.00 H new ATOM 0 HA GLU A1978 1.317 5.607 -6.205 1.00 0.00 H new ATOM 0 HB2 GLU A1978 -0.488 6.282 -8.594 1.00 0.00 H new ATOM 0 HB3 GLU A1978 -0.597 4.813 -7.646 1.00 0.00 H new ATOM 0 HG2 GLU A1978 -0.987 6.218 -5.588 1.00 0.00 H new ATOM 0 HG3 GLU A1978 -0.974 7.651 -6.596 1.00 0.00 H new ATOM 668 N ASP A1979 2.807 5.835 -8.968 1.00 0.00 N ATOM 669 CA ASP A1979 3.758 5.304 -9.943 1.00 0.00 C ATOM 670 C ASP A1979 5.200 5.744 -9.641 1.00 0.00 C ATOM 671 O ASP A1979 6.087 5.564 -10.475 1.00 0.00 O ATOM 672 CB ASP A1979 3.340 5.764 -11.348 1.00 0.00 C ATOM 673 CG ASP A1979 3.500 7.271 -11.518 1.00 0.00 C ATOM 674 OD1 ASP A1979 2.790 8.023 -10.816 1.00 0.00 O ATOM 675 OD2 ASP A1979 4.297 7.698 -12.379 1.00 0.00 O ATOM 0 H ASP A1979 2.758 6.852 -9.021 1.00 0.00 H new ATOM 0 HA ASP A1979 3.741 4.216 -9.884 1.00 0.00 H new ATOM 0 HB2 ASP A1979 3.943 5.247 -12.095 1.00 0.00 H new ATOM 0 HB3 ASP A1979 2.302 5.485 -11.528 1.00 0.00 H new ATOM 680 N GLN A1980 5.439 6.383 -8.493 1.00 0.00 N ATOM 681 CA GLN A1980 6.777 6.833 -8.081 1.00 0.00 C ATOM 682 C GLN A1980 7.378 5.739 -7.215 1.00 0.00 C ATOM 683 O GLN A1980 6.664 5.093 -6.446 1.00 0.00 O ATOM 684 CB GLN A1980 6.699 8.160 -7.323 1.00 0.00 C ATOM 685 CG GLN A1980 8.046 8.730 -6.849 1.00 0.00 C ATOM 686 CD GLN A1980 7.906 10.191 -6.418 1.00 0.00 C ATOM 687 OE1 GLN A1980 6.820 10.646 -6.057 1.00 0.00 O ATOM 688 NE2 GLN A1980 8.992 10.944 -6.430 1.00 0.00 N ATOM 0 H GLN A1980 4.708 6.605 -7.817 1.00 0.00 H new ATOM 0 HA GLN A1980 7.405 7.010 -8.954 1.00 0.00 H new ATOM 0 HB2 GLN A1980 6.218 8.898 -7.965 1.00 0.00 H new ATOM 0 HB3 GLN A1980 6.055 8.025 -6.454 1.00 0.00 H new ATOM 0 HG2 GLN A1980 8.422 8.137 -6.016 1.00 0.00 H new ATOM 0 HG3 GLN A1980 8.779 8.653 -7.652 1.00 0.00 H new ATOM 0 HE21 GLN A1980 9.883 10.550 -6.732 1.00 0.00 H new ATOM 0 HE22 GLN A1980 8.939 11.920 -6.137 1.00 0.00 H new ATOM 697 N LYS A1981 8.685 5.521 -7.295 1.00 0.00 N ATOM 698 CA LYS A1981 9.310 4.466 -6.517 1.00 0.00 C ATOM 699 C LYS A1981 9.495 4.886 -5.076 1.00 0.00 C ATOM 700 O LYS A1981 9.969 5.987 -4.814 1.00 0.00 O ATOM 701 CB LYS A1981 10.627 4.033 -7.164 1.00 0.00 C ATOM 702 CG LYS A1981 10.301 3.478 -8.554 1.00 0.00 C ATOM 703 CD LYS A1981 11.321 2.477 -9.080 1.00 0.00 C ATOM 704 CE LYS A1981 10.632 1.881 -10.297 1.00 0.00 C ATOM 705 NZ LYS A1981 11.405 0.781 -10.899 1.00 0.00 N ATOM 0 H LYS A1981 9.324 6.055 -7.884 1.00 0.00 H new ATOM 0 HA LYS A1981 8.647 3.601 -6.510 1.00 0.00 H new ATOM 0 HB2 LYS A1981 11.312 4.878 -7.240 1.00 0.00 H new ATOM 0 HB3 LYS A1981 11.121 3.276 -6.556 1.00 0.00 H new ATOM 0 HG2 LYS A1981 9.322 3.000 -8.522 1.00 0.00 H new ATOM 0 HG3 LYS A1981 10.227 4.308 -9.257 1.00 0.00 H new ATOM 0 HD2 LYS A1981 12.260 2.962 -9.347 1.00 0.00 H new ATOM 0 HD3 LYS A1981 11.556 1.715 -8.337 1.00 0.00 H new ATOM 0 HE2 LYS A1981 9.647 1.514 -10.010 1.00 0.00 H new ATOM 0 HE3 LYS A1981 10.477 2.662 -11.042 1.00 0.00 H new ATOM 0 HZ1 LYS A1981 10.802 0.257 -11.565 1.00 0.00 H new ATOM 0 HZ2 LYS A1981 12.225 1.170 -11.407 1.00 0.00 H new ATOM 0 HZ3 LYS A1981 11.735 0.138 -10.151 1.00 0.00 H new ATOM 719 N PHE A1982 9.172 4.011 -4.128 1.00 0.00 N ATOM 720 CA PHE A1982 9.355 4.305 -2.709 1.00 0.00 C ATOM 721 C PHE A1982 10.837 4.596 -2.464 1.00 0.00 C ATOM 722 O PHE A1982 11.162 5.480 -1.679 1.00 0.00 O ATOM 723 CB PHE A1982 8.909 3.129 -1.838 1.00 0.00 C ATOM 724 CG PHE A1982 7.622 2.473 -2.247 1.00 0.00 C ATOM 725 CD1 PHE A1982 6.476 3.263 -2.348 1.00 0.00 C ATOM 726 CD2 PHE A1982 7.567 1.102 -2.549 1.00 0.00 C ATOM 727 CE1 PHE A1982 5.274 2.679 -2.758 1.00 0.00 C ATOM 728 CE2 PHE A1982 6.351 0.514 -2.937 1.00 0.00 C ATOM 729 CZ PHE A1982 5.194 1.303 -3.033 1.00 0.00 C ATOM 0 H PHE A1982 8.780 3.088 -4.318 1.00 0.00 H new ATOM 0 HA PHE A1982 8.745 5.168 -2.441 1.00 0.00 H new ATOM 0 HB2 PHE A1982 9.698 2.376 -1.843 1.00 0.00 H new ATOM 0 HB3 PHE A1982 8.808 3.478 -0.810 1.00 0.00 H new ATOM 0 HD1 PHE A1982 6.517 4.316 -2.112 1.00 0.00 H new ATOM 0 HD2 PHE A1982 8.461 0.499 -2.483 1.00 0.00 H new ATOM 0 HE1 PHE A1982 4.393 3.295 -2.865 1.00 0.00 H new ATOM 0 HE2 PHE A1982 6.307 -0.542 -3.161 1.00 0.00 H new ATOM 0 HZ PHE A1982 4.252 0.857 -3.315 1.00 0.00 H new ATOM 739 N VAL A1983 11.760 3.880 -3.122 1.00 0.00 N ATOM 740 CA VAL A1983 13.198 4.107 -2.955 1.00 0.00 C ATOM 741 C VAL A1983 13.576 5.533 -3.382 1.00 0.00 C ATOM 742 O VAL A1983 14.576 6.062 -2.897 1.00 0.00 O ATOM 743 CB VAL A1983 14.047 3.037 -3.664 1.00 0.00 C ATOM 744 CG1 VAL A1983 13.869 1.653 -3.031 1.00 0.00 C ATOM 745 CG2 VAL A1983 13.800 2.944 -5.178 1.00 0.00 C ATOM 0 H VAL A1983 11.531 3.134 -3.779 1.00 0.00 H new ATOM 0 HA VAL A1983 13.426 4.010 -1.894 1.00 0.00 H new ATOM 0 HB VAL A1983 15.076 3.370 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A1983 14.486 0.928 -3.562 1.00 0.00 H new ATOM 0 HG12 VAL A1983 14.172 1.690 -1.985 1.00 0.00 H new ATOM 0 HG13 VAL A1983 12.822 1.355 -3.096 1.00 0.00 H new ATOM 0 HG21 VAL A1983 14.436 2.168 -5.603 1.00 0.00 H new ATOM 0 HG22 VAL A1983 12.754 2.698 -5.362 1.00 0.00 H new ATOM 0 HG23 VAL A1983 14.035 3.901 -5.644 1.00 0.00 H new ATOM 755 N ASP A1984 12.801 6.136 -4.290 1.00 0.00 N ATOM 756 CA ASP A1984 12.989 7.506 -4.773 1.00 0.00 C ATOM 757 C ASP A1984 12.485 8.503 -3.724 1.00 0.00 C ATOM 758 O ASP A1984 12.853 9.672 -3.742 1.00 0.00 O ATOM 759 CB ASP A1984 12.297 7.733 -6.127 1.00 0.00 C ATOM 760 CG ASP A1984 12.796 8.986 -6.848 1.00 0.00 C ATOM 761 OD1 ASP A1984 14.029 9.218 -6.834 1.00 0.00 O ATOM 762 OD2 ASP A1984 11.991 9.626 -7.568 1.00 0.00 O ATOM 0 H ASP A1984 12.003 5.670 -4.721 1.00 0.00 H new ATOM 0 HA ASP A1984 14.056 7.667 -4.930 1.00 0.00 H new ATOM 0 HB2 ASP A1984 12.462 6.864 -6.764 1.00 0.00 H new ATOM 0 HB3 ASP A1984 11.221 7.814 -5.970 1.00 0.00 H new ATOM 767 N LEU A1985 11.623 8.048 -2.810 1.00 0.00 N ATOM 768 CA LEU A1985 11.085 8.845 -1.706 1.00 0.00 C ATOM 769 C LEU A1985 11.992 8.643 -0.470 1.00 0.00 C ATOM 770 O LEU A1985 12.021 9.485 0.424 1.00 0.00 O ATOM 771 CB LEU A1985 9.616 8.490 -1.409 1.00 0.00 C ATOM 772 CG LEU A1985 8.620 8.700 -2.564 1.00 0.00 C ATOM 773 CD1 LEU A1985 7.173 8.505 -2.103 1.00 0.00 C ATOM 774 CD2 LEU A1985 8.720 10.097 -3.174 1.00 0.00 C ATOM 0 H LEU A1985 11.272 7.090 -2.819 1.00 0.00 H new ATOM 0 HA LEU A1985 11.085 9.899 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A1985 9.571 7.445 -1.103 1.00 0.00 H new ATOM 0 HB3 LEU A1985 9.285 9.085 -0.558 1.00 0.00 H new ATOM 0 HG LEU A1985 8.887 7.953 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU A1985 6.499 8.661 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A1985 7.047 7.492 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A1985 6.942 9.222 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A1985 7.997 10.193 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A1985 8.509 10.844 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A1985 9.725 10.252 -3.565 1.00 0.00 H new ATOM 786 N GLY A1986 12.762 7.546 -0.402 1.00 0.00 N ATOM 787 CA GLY A1986 13.695 7.244 0.685 1.00 0.00 C ATOM 788 C GLY A1986 13.589 5.837 1.260 1.00 0.00 C ATOM 789 O GLY A1986 14.201 5.556 2.283 1.00 0.00 O ATOM 0 H GLY A1986 12.749 6.826 -1.125 1.00 0.00 H new ATOM 0 HA2 GLY A1986 14.712 7.395 0.322 1.00 0.00 H new ATOM 0 HA3 GLY A1986 13.534 7.961 1.490 1.00 0.00 H new ATOM 793 N LEU A1987 12.826 4.946 0.628 1.00 0.00 N ATOM 794 CA LEU A1987 12.638 3.578 1.096 1.00 0.00 C ATOM 795 C LEU A1987 13.966 2.827 1.123 1.00 0.00 C ATOM 796 O LEU A1987 14.665 2.742 0.110 1.00 0.00 O ATOM 797 CB LEU A1987 11.578 2.905 0.214 1.00 0.00 C ATOM 798 CG LEU A1987 10.759 1.743 0.793 1.00 0.00 C ATOM 799 CD1 LEU A1987 11.606 0.594 1.299 1.00 0.00 C ATOM 800 CD2 LEU A1987 9.832 2.254 1.892 1.00 0.00 C ATOM 0 H LEU A1987 12.318 5.158 -0.231 1.00 0.00 H new ATOM 0 HA LEU A1987 12.277 3.569 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A1987 10.876 3.676 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A1987 12.079 2.540 -0.683 1.00 0.00 H new ATOM 0 HG LEU A1987 10.169 1.338 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A1987 10.959 -0.189 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A1987 12.203 0.193 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A1987 12.267 0.950 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A1987 9.255 1.423 2.297 1.00 0.00 H new ATOM 0 HD22 LEU A1987 10.425 2.706 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A1987 9.153 2.999 1.478 1.00 0.00 H new ATOM 812 N ASP A1988 14.277 2.237 2.272 1.00 0.00 N ATOM 813 CA ASP A1988 15.489 1.475 2.540 1.00 0.00 C ATOM 814 C ASP A1988 15.148 0.009 2.823 1.00 0.00 C ATOM 815 O ASP A1988 13.980 -0.381 2.895 1.00 0.00 O ATOM 816 CB ASP A1988 16.155 2.037 3.806 1.00 0.00 C ATOM 817 CG ASP A1988 16.850 3.372 3.611 1.00 0.00 C ATOM 818 OD1 ASP A1988 17.824 3.419 2.829 1.00 0.00 O ATOM 819 OD2 ASP A1988 16.478 4.341 4.300 1.00 0.00 O ATOM 0 H ASP A1988 13.659 2.280 3.082 1.00 0.00 H new ATOM 0 HA ASP A1988 16.144 1.547 1.671 1.00 0.00 H new ATOM 0 HB2 ASP A1988 15.397 2.146 4.582 1.00 0.00 H new ATOM 0 HB3 ASP A1988 16.883 1.312 4.171 1.00 0.00 H new ATOM 824 N SER A1989 16.158 -0.836 3.035 1.00 0.00 N ATOM 825 CA SER A1989 15.953 -2.251 3.335 1.00 0.00 C ATOM 826 C SER A1989 15.155 -2.418 4.637 1.00 0.00 C ATOM 827 O SER A1989 14.284 -3.278 4.725 1.00 0.00 O ATOM 828 CB SER A1989 17.322 -2.937 3.447 1.00 0.00 C ATOM 829 OG SER A1989 17.244 -4.315 3.136 1.00 0.00 O ATOM 0 H SER A1989 17.139 -0.558 3.003 1.00 0.00 H new ATOM 0 HA SER A1989 15.378 -2.714 2.533 1.00 0.00 H new ATOM 0 HB2 SER A1989 18.028 -2.451 2.774 1.00 0.00 H new ATOM 0 HB3 SER A1989 17.709 -2.814 4.458 1.00 0.00 H new ATOM 0 HG SER A1989 18.133 -4.719 3.216 1.00 0.00 H new ATOM 835 N ILE A1990 15.435 -1.581 5.642 1.00 0.00 N ATOM 836 CA ILE A1990 14.788 -1.626 6.946 1.00 0.00 C ATOM 837 C ILE A1990 13.308 -1.301 6.793 1.00 0.00 C ATOM 838 O ILE A1990 12.454 -2.117 7.144 1.00 0.00 O ATOM 839 CB ILE A1990 15.482 -0.666 7.937 1.00 0.00 C ATOM 840 CG1 ILE A1990 16.993 -0.947 8.067 1.00 0.00 C ATOM 841 CG2 ILE A1990 14.850 -0.799 9.329 1.00 0.00 C ATOM 842 CD1 ILE A1990 17.851 -0.164 7.072 1.00 0.00 C ATOM 0 H ILE A1990 16.132 -0.841 5.564 1.00 0.00 H new ATOM 0 HA ILE A1990 14.879 -2.631 7.357 1.00 0.00 H new ATOM 0 HB ILE A1990 15.348 0.341 7.542 1.00 0.00 H new ATOM 0 HG12 ILE A1990 17.313 -0.703 9.080 1.00 0.00 H new ATOM 0 HG13 ILE A1990 17.169 -2.013 7.925 1.00 0.00 H new ATOM 0 HG21 ILE A1990 15.346 -0.118 10.020 1.00 0.00 H new ATOM 0 HG22 ILE A1990 13.790 -0.550 9.273 1.00 0.00 H new ATOM 0 HG23 ILE A1990 14.964 -1.823 9.684 1.00 0.00 H new ATOM 0 HD11 ILE A1990 18.901 -0.413 7.223 1.00 0.00 H new ATOM 0 HD12 ILE A1990 17.559 -0.425 6.055 1.00 0.00 H new ATOM 0 HD13 ILE A1990 17.705 0.905 7.228 1.00 0.00 H new ATOM 854 N VAL A1991 13.025 -0.124 6.232 1.00 0.00 N ATOM 855 CA VAL A1991 11.681 0.377 6.013 1.00 0.00 C ATOM 856 C VAL A1991 10.865 -0.642 5.214 1.00 0.00 C ATOM 857 O VAL A1991 9.703 -0.895 5.519 1.00 0.00 O ATOM 858 CB VAL A1991 11.717 1.757 5.336 1.00 0.00 C ATOM 859 CG1 VAL A1991 10.309 2.362 5.355 1.00 0.00 C ATOM 860 CG2 VAL A1991 12.639 2.756 6.038 1.00 0.00 C ATOM 0 H VAL A1991 13.749 0.519 5.911 1.00 0.00 H new ATOM 0 HA VAL A1991 11.187 0.512 6.975 1.00 0.00 H new ATOM 0 HB VAL A1991 12.093 1.591 4.327 1.00 0.00 H new ATOM 0 HG11 VAL A1991 10.327 3.341 4.876 1.00 0.00 H new ATOM 0 HG12 VAL A1991 9.624 1.707 4.816 1.00 0.00 H new ATOM 0 HG13 VAL A1991 9.973 2.469 6.386 1.00 0.00 H new ATOM 0 HG21 VAL A1991 12.616 3.708 5.507 1.00 0.00 H new ATOM 0 HG22 VAL A1991 12.301 2.904 7.064 1.00 0.00 H new ATOM 0 HG23 VAL A1991 13.658 2.369 6.044 1.00 0.00 H new ATOM 870 N GLY A1992 11.470 -1.289 4.216 1.00 0.00 N ATOM 871 CA GLY A1992 10.755 -2.262 3.411 1.00 0.00 C ATOM 872 C GLY A1992 10.275 -3.469 4.217 1.00 0.00 C ATOM 873 O GLY A1992 9.208 -4.007 3.930 1.00 0.00 O ATOM 0 H GLY A1992 12.446 -1.154 3.953 1.00 0.00 H new ATOM 0 HA2 GLY A1992 9.896 -1.779 2.945 1.00 0.00 H new ATOM 0 HA3 GLY A1992 11.404 -2.605 2.605 1.00 0.00 H new ATOM 877 N VAL A1993 11.040 -3.911 5.214 1.00 0.00 N ATOM 878 CA VAL A1993 10.717 -5.057 6.064 1.00 0.00 C ATOM 879 C VAL A1993 9.637 -4.676 7.080 1.00 0.00 C ATOM 880 O VAL A1993 8.726 -5.461 7.345 1.00 0.00 O ATOM 881 CB VAL A1993 12.012 -5.558 6.739 1.00 0.00 C ATOM 882 CG1 VAL A1993 11.778 -6.708 7.725 1.00 0.00 C ATOM 883 CG2 VAL A1993 13.033 -6.048 5.709 1.00 0.00 C ATOM 0 H VAL A1993 11.926 -3.470 5.460 1.00 0.00 H new ATOM 0 HA VAL A1993 10.309 -5.872 5.466 1.00 0.00 H new ATOM 0 HB VAL A1993 12.389 -4.691 7.282 1.00 0.00 H new ATOM 0 HG11 VAL A1993 12.729 -7.011 8.163 1.00 0.00 H new ATOM 0 HG12 VAL A1993 11.103 -6.378 8.515 1.00 0.00 H new ATOM 0 HG13 VAL A1993 11.335 -7.554 7.199 1.00 0.00 H new ATOM 0 HG21 VAL A1993 13.931 -6.393 6.222 1.00 0.00 H new ATOM 0 HG22 VAL A1993 12.605 -6.870 5.135 1.00 0.00 H new ATOM 0 HG23 VAL A1993 13.291 -5.231 5.035 1.00 0.00 H new ATOM 893 N GLU A1994 9.711 -3.500 7.691 1.00 0.00 N ATOM 894 CA GLU A1994 8.671 -3.096 8.649 1.00 0.00 C ATOM 895 C GLU A1994 7.365 -2.798 7.905 1.00 0.00 C ATOM 896 O GLU A1994 6.275 -3.158 8.364 1.00 0.00 O ATOM 897 CB GLU A1994 9.097 -1.905 9.510 1.00 0.00 C ATOM 898 CG GLU A1994 9.529 -0.692 8.694 1.00 0.00 C ATOM 899 CD GLU A1994 10.000 0.449 9.598 1.00 0.00 C ATOM 900 OE1 GLU A1994 9.169 1.241 10.096 1.00 0.00 O ATOM 901 OE2 GLU A1994 11.228 0.514 9.839 1.00 0.00 O ATOM 0 H GLU A1994 10.457 -2.819 7.551 1.00 0.00 H new ATOM 0 HA GLU A1994 8.512 -3.929 9.334 1.00 0.00 H new ATOM 0 HB2 GLU A1994 8.269 -1.621 10.159 1.00 0.00 H new ATOM 0 HB3 GLU A1994 9.919 -2.210 10.157 1.00 0.00 H new ATOM 0 HG2 GLU A1994 10.333 -0.976 8.015 1.00 0.00 H new ATOM 0 HG3 GLU A1994 8.697 -0.351 8.078 1.00 0.00 H new ATOM 908 N TRP A1995 7.459 -2.214 6.708 1.00 0.00 N ATOM 909 CA TRP A1995 6.292 -1.877 5.927 1.00 0.00 C ATOM 910 C TRP A1995 5.656 -3.122 5.341 1.00 0.00 C ATOM 911 O TRP A1995 4.435 -3.251 5.383 1.00 0.00 O ATOM 912 CB TRP A1995 6.669 -0.883 4.843 1.00 0.00 C ATOM 913 CG TRP A1995 5.481 -0.257 4.198 1.00 0.00 C ATOM 914 CD1 TRP A1995 4.508 0.414 4.843 1.00 0.00 C ATOM 915 CD2 TRP A1995 5.125 -0.203 2.793 1.00 0.00 C ATOM 916 NE1 TRP A1995 3.542 0.807 3.947 1.00 0.00 N ATOM 917 CE2 TRP A1995 3.881 0.473 2.660 1.00 0.00 C ATOM 918 CE3 TRP A1995 5.760 -0.625 1.617 1.00 0.00 C ATOM 919 CZ2 TRP A1995 3.286 0.710 1.416 1.00 0.00 C ATOM 920 CZ3 TRP A1995 5.221 -0.332 0.356 1.00 0.00 C ATOM 921 CH2 TRP A1995 3.993 0.354 0.255 1.00 0.00 C ATOM 0 H TRP A1995 8.344 -1.968 6.266 1.00 0.00 H new ATOM 0 HA TRP A1995 5.552 -1.412 6.578 1.00 0.00 H new ATOM 0 HB2 TRP A1995 7.297 -0.103 5.274 1.00 0.00 H new ATOM 0 HB3 TRP A1995 7.265 -1.389 4.084 1.00 0.00 H new ATOM 0 HD1 TRP A1995 4.489 0.613 5.904 1.00 0.00 H new ATOM 0 HE1 TRP A1995 2.680 1.287 4.207 1.00 0.00 H new ATOM 0 HE3 TRP A1995 6.681 -1.186 1.683 1.00 0.00 H new ATOM 0 HZ2 TRP A1995 2.305 1.157 1.350 1.00 0.00 H new ATOM 0 HZ3 TRP A1995 5.747 -0.632 -0.538 1.00 0.00 H new ATOM 0 HH2 TRP A1995 3.595 0.606 -0.717 1.00 0.00 H new ATOM 932 N THR A1996 6.459 -4.061 4.826 1.00 0.00 N ATOM 933 CA THR A1996 5.884 -5.291 4.266 1.00 0.00 C ATOM 934 C THR A1996 5.111 -6.007 5.382 1.00 0.00 C ATOM 935 O THR A1996 4.060 -6.599 5.134 1.00 0.00 O ATOM 936 CB THR A1996 6.927 -6.170 3.543 1.00 0.00 C ATOM 937 OG1 THR A1996 6.327 -7.007 2.576 1.00 0.00 O ATOM 938 CG2 THR A1996 7.727 -7.070 4.483 1.00 0.00 C ATOM 0 H THR A1996 7.476 -3.999 4.785 1.00 0.00 H new ATOM 0 HA THR A1996 5.183 -5.044 3.469 1.00 0.00 H new ATOM 0 HB THR A1996 7.602 -5.453 3.076 1.00 0.00 H new ATOM 0 HG1 THR A1996 6.637 -7.928 2.703 1.00 0.00 H new ATOM 0 HG21 THR A1996 8.440 -7.658 3.905 1.00 0.00 H new ATOM 0 HG22 THR A1996 8.265 -6.455 5.205 1.00 0.00 H new ATOM 0 HG23 THR A1996 7.048 -7.740 5.011 1.00 0.00 H new ATOM 946 N THR A1997 5.603 -5.918 6.622 1.00 0.00 N ATOM 947 CA THR A1997 4.937 -6.534 7.750 1.00 0.00 C ATOM 948 C THR A1997 3.649 -5.764 8.024 1.00 0.00 C ATOM 949 O THR A1997 2.594 -6.382 8.100 1.00 0.00 O ATOM 950 CB THR A1997 5.878 -6.564 8.959 1.00 0.00 C ATOM 951 OG1 THR A1997 6.897 -7.519 8.730 1.00 0.00 O ATOM 952 CG2 THR A1997 5.134 -6.912 10.244 1.00 0.00 C ATOM 0 H THR A1997 6.462 -5.422 6.859 1.00 0.00 H new ATOM 0 HA THR A1997 4.676 -7.570 7.535 1.00 0.00 H new ATOM 0 HB THR A1997 6.308 -5.570 9.081 1.00 0.00 H new ATOM 0 HG1 THR A1997 7.641 -7.095 8.253 1.00 0.00 H new ATOM 0 HG21 THR A1997 5.835 -6.923 11.079 1.00 0.00 H new ATOM 0 HG22 THR A1997 4.361 -6.167 10.430 1.00 0.00 H new ATOM 0 HG23 THR A1997 4.674 -7.895 10.143 1.00 0.00 H new ATOM 960 N THR A1998 3.698 -4.435 8.104 1.00 0.00 N ATOM 961 CA THR A1998 2.524 -3.605 8.361 1.00 0.00 C ATOM 962 C THR A1998 1.436 -3.899 7.324 1.00 0.00 C ATOM 963 O THR A1998 0.252 -3.957 7.641 1.00 0.00 O ATOM 964 CB THR A1998 2.965 -2.132 8.364 1.00 0.00 C ATOM 965 OG1 THR A1998 3.970 -1.953 9.353 1.00 0.00 O ATOM 966 CG2 THR A1998 1.797 -1.178 8.632 1.00 0.00 C ATOM 0 H THR A1998 4.560 -3.901 7.991 1.00 0.00 H new ATOM 0 HA THR A1998 2.089 -3.831 9.335 1.00 0.00 H new ATOM 0 HB THR A1998 3.355 -1.894 7.374 1.00 0.00 H new ATOM 0 HG1 THR A1998 4.828 -2.279 9.010 1.00 0.00 H new ATOM 0 HG21 THR A1998 2.158 -0.150 8.624 1.00 0.00 H new ATOM 0 HG22 THR A1998 1.040 -1.303 7.857 1.00 0.00 H new ATOM 0 HG23 THR A1998 1.360 -1.402 9.605 1.00 0.00 H new ATOM 974 N ILE A1999 1.830 -4.146 6.080 1.00 0.00 N ATOM 975 CA ILE A1999 0.910 -4.460 5.001 1.00 0.00 C ATOM 976 C ILE A1999 0.218 -5.785 5.328 1.00 0.00 C ATOM 977 O ILE A1999 -1.008 -5.892 5.235 1.00 0.00 O ATOM 978 CB ILE A1999 1.701 -4.509 3.679 1.00 0.00 C ATOM 979 CG1 ILE A1999 1.952 -3.069 3.191 1.00 0.00 C ATOM 980 CG2 ILE A1999 0.940 -5.313 2.621 1.00 0.00 C ATOM 981 CD1 ILE A1999 2.956 -3.006 2.040 1.00 0.00 C ATOM 0 H ILE A1999 2.809 -4.133 5.792 1.00 0.00 H new ATOM 0 HA ILE A1999 0.136 -3.700 4.891 1.00 0.00 H new ATOM 0 HB ILE A1999 2.656 -5.006 3.848 1.00 0.00 H new ATOM 0 HG12 ILE A1999 1.008 -2.628 2.870 1.00 0.00 H new ATOM 0 HG13 ILE A1999 2.319 -2.466 4.022 1.00 0.00 H new ATOM 0 HG21 ILE A1999 1.516 -5.335 1.696 1.00 0.00 H new ATOM 0 HG22 ILE A1999 0.788 -6.332 2.978 1.00 0.00 H new ATOM 0 HG23 ILE A1999 -0.027 -4.846 2.435 1.00 0.00 H new ATOM 0 HD11 ILE A1999 3.096 -1.969 1.735 1.00 0.00 H new ATOM 0 HD12 ILE A1999 3.910 -3.420 2.366 1.00 0.00 H new ATOM 0 HD13 ILE A1999 2.579 -3.584 1.196 1.00 0.00 H new ATOM 993 N ASN A2000 1.009 -6.796 5.688 1.00 0.00 N ATOM 994 CA ASN A2000 0.508 -8.119 6.021 1.00 0.00 C ATOM 995 C ASN A2000 -0.421 -8.055 7.214 1.00 0.00 C ATOM 996 O ASN A2000 -1.367 -8.821 7.285 1.00 0.00 O ATOM 997 CB ASN A2000 1.632 -9.068 6.442 1.00 0.00 C ATOM 998 CG ASN A2000 2.596 -9.359 5.339 1.00 0.00 C ATOM 999 OD1 ASN A2000 2.211 -9.393 4.181 1.00 0.00 O ATOM 1000 ND2 ASN A2000 3.854 -9.578 5.664 1.00 0.00 N ATOM 0 H ASN A2000 2.023 -6.713 5.756 1.00 0.00 H new ATOM 0 HA ASN A2000 0.006 -8.477 5.122 1.00 0.00 H new ATOM 0 HB2 ASN A2000 2.172 -8.632 7.283 1.00 0.00 H new ATOM 0 HB3 ASN A2000 1.197 -10.004 6.793 1.00 0.00 H new ATOM 0 HD21 ASN A2000 4.540 -9.784 4.938 1.00 0.00 H new ATOM 0 HD22 ASN A2000 4.142 -9.542 6.642 1.00 0.00 H new ATOM 1007 N GLN A2001 -0.126 -7.180 8.164 1.00 0.00 N ATOM 1008 CA GLN A2001 -0.916 -6.998 9.377 1.00 0.00 C ATOM 1009 C GLN A2001 -2.244 -6.317 9.027 1.00 0.00 C ATOM 1010 O GLN A2001 -3.282 -6.628 9.614 1.00 0.00 O ATOM 1011 CB GLN A2001 -0.151 -6.174 10.434 1.00 0.00 C ATOM 1012 CG GLN A2001 1.220 -6.744 10.839 1.00 0.00 C ATOM 1013 CD GLN A2001 1.394 -6.929 12.343 1.00 0.00 C ATOM 1014 OE1 GLN A2001 1.914 -6.061 13.032 1.00 0.00 O ATOM 1015 NE2 GLN A2001 1.053 -8.081 12.890 1.00 0.00 N ATOM 0 H GLN A2001 0.685 -6.563 8.114 1.00 0.00 H new ATOM 0 HA GLN A2001 -1.113 -7.980 9.808 1.00 0.00 H new ATOM 0 HB2 GLN A2001 -0.008 -5.164 10.051 1.00 0.00 H new ATOM 0 HB3 GLN A2001 -0.771 -6.092 11.327 1.00 0.00 H new ATOM 0 HG2 GLN A2001 1.362 -7.706 10.346 1.00 0.00 H new ATOM 0 HG3 GLN A2001 2.002 -6.079 10.472 1.00 0.00 H new ATOM 0 HE21 GLN A2001 0.619 -8.808 12.320 1.00 0.00 H new ATOM 0 HE22 GLN A2001 1.223 -8.245 13.882 1.00 0.00 H new ATOM 1024 N THR A2002 -2.246 -5.414 8.047 1.00 0.00 N ATOM 1025 CA THR A2002 -3.437 -4.699 7.642 1.00 0.00 C ATOM 1026 C THR A2002 -4.407 -5.569 6.838 1.00 0.00 C ATOM 1027 O THR A2002 -5.612 -5.446 7.056 1.00 0.00 O ATOM 1028 CB THR A2002 -3.022 -3.417 6.909 1.00 0.00 C ATOM 1029 OG1 THR A2002 -2.376 -2.542 7.814 1.00 0.00 O ATOM 1030 CG2 THR A2002 -4.183 -2.657 6.273 1.00 0.00 C ATOM 0 H THR A2002 -1.413 -5.163 7.514 1.00 0.00 H new ATOM 0 HA THR A2002 -4.003 -4.420 8.531 1.00 0.00 H new ATOM 0 HB THR A2002 -2.362 -3.739 6.104 1.00 0.00 H new ATOM 0 HG1 THR A2002 -1.878 -1.863 7.313 1.00 0.00 H new ATOM 0 HG21 THR A2002 -3.804 -1.764 5.775 1.00 0.00 H new ATOM 0 HG22 THR A2002 -4.680 -3.296 5.543 1.00 0.00 H new ATOM 0 HG23 THR A2002 -4.895 -2.367 7.046 1.00 0.00 H new ATOM 1038 N TYR A2003 -3.927 -6.435 5.940 1.00 0.00 N ATOM 1039 CA TYR A2003 -4.791 -7.283 5.118 1.00 0.00 C ATOM 1040 C TYR A2003 -4.714 -8.758 5.510 1.00 0.00 C ATOM 1041 O TYR A2003 -5.261 -9.590 4.797 1.00 0.00 O ATOM 1042 CB TYR A2003 -4.472 -7.060 3.630 1.00 0.00 C ATOM 1043 CG TYR A2003 -4.376 -5.608 3.216 1.00 0.00 C ATOM 1044 CD1 TYR A2003 -5.508 -4.775 3.258 1.00 0.00 C ATOM 1045 CD2 TYR A2003 -3.126 -5.084 2.842 1.00 0.00 C ATOM 1046 CE1 TYR A2003 -5.392 -3.414 2.926 1.00 0.00 C ATOM 1047 CE2 TYR A2003 -3.009 -3.740 2.468 1.00 0.00 C ATOM 1048 CZ TYR A2003 -4.139 -2.895 2.535 1.00 0.00 C ATOM 1049 OH TYR A2003 -4.004 -1.575 2.244 1.00 0.00 O ATOM 0 H TYR A2003 -2.931 -6.567 5.764 1.00 0.00 H new ATOM 0 HA TYR A2003 -5.825 -6.990 5.300 1.00 0.00 H new ATOM 0 HB2 TYR A2003 -3.529 -7.554 3.396 1.00 0.00 H new ATOM 0 HB3 TYR A2003 -5.242 -7.545 3.030 1.00 0.00 H new ATOM 0 HD1 TYR A2003 -6.467 -5.181 3.545 1.00 0.00 H new ATOM 0 HD2 TYR A2003 -2.253 -5.720 2.843 1.00 0.00 H new ATOM 0 HE1 TYR A2003 -6.257 -2.769 2.970 1.00 0.00 H new ATOM 0 HE2 TYR A2003 -2.060 -3.351 2.130 1.00 0.00 H new ATOM 0 HH TYR A2003 -3.075 -1.388 1.994 1.00 0.00 H new ATOM 1059 N ASN A2004 -4.053 -9.095 6.620 1.00 0.00 N ATOM 1060 CA ASN A2004 -3.867 -10.453 7.138 1.00 0.00 C ATOM 1061 C ASN A2004 -3.255 -11.383 6.089 1.00 0.00 C ATOM 1062 O ASN A2004 -3.846 -12.386 5.701 1.00 0.00 O ATOM 1063 CB ASN A2004 -5.209 -10.971 7.661 1.00 0.00 C ATOM 1064 CG ASN A2004 -5.027 -12.259 8.455 1.00 0.00 C ATOM 1065 OD1 ASN A2004 -4.079 -12.386 9.235 1.00 0.00 O ATOM 1066 ND2 ASN A2004 -5.923 -13.213 8.319 1.00 0.00 N ATOM 0 H ASN A2004 -3.610 -8.392 7.212 1.00 0.00 H new ATOM 0 HA ASN A2004 -3.154 -10.430 7.962 1.00 0.00 H new ATOM 0 HB2 ASN A2004 -5.674 -10.214 8.292 1.00 0.00 H new ATOM 0 HB3 ASN A2004 -5.885 -11.148 6.825 1.00 0.00 H new ATOM 0 HD21 ASN A2004 -5.840 -14.072 8.862 1.00 0.00 H new ATOM 0 HD22 ASN A2004 -6.701 -13.093 7.670 1.00 0.00 H new ATOM 1073 N LEU A2005 -2.056 -11.042 5.620 1.00 0.00 N ATOM 1074 CA LEU A2005 -1.318 -11.757 4.579 1.00 0.00 C ATOM 1075 C LEU A2005 0.063 -12.195 5.038 1.00 0.00 C ATOM 1076 O LEU A2005 0.392 -12.169 6.224 1.00 0.00 O ATOM 1077 CB LEU A2005 -1.162 -10.858 3.340 1.00 0.00 C ATOM 1078 CG LEU A2005 -2.419 -10.093 2.922 1.00 0.00 C ATOM 1079 CD1 LEU A2005 -2.031 -9.125 1.818 1.00 0.00 C ATOM 1080 CD2 LEU A2005 -3.556 -11.018 2.510 1.00 0.00 C ATOM 0 H LEU A2005 -1.551 -10.227 5.969 1.00 0.00 H new ATOM 0 HA LEU A2005 -1.894 -12.651 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A2005 -0.366 -10.138 3.532 1.00 0.00 H new ATOM 0 HB3 LEU A2005 -0.838 -11.476 2.502 1.00 0.00 H new ATOM 0 HG LEU A2005 -2.809 -9.539 3.776 1.00 0.00 H new ATOM 0 HD11 LEU A2005 -2.910 -8.565 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A2005 -1.275 -8.433 2.190 1.00 0.00 H new ATOM 0 HD13 LEU A2005 -1.629 -9.681 0.971 1.00 0.00 H new ATOM 0 HD21 LEU A2005 -4.423 -10.423 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A2005 -3.240 -11.629 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A2005 -3.820 -11.665 3.347 1.00 0.00 H new ATOM 1092 N ASN A2006 0.865 -12.631 4.071 1.00 0.00 N ATOM 1093 CA ASN A2006 2.224 -13.087 4.228 1.00 0.00 C ATOM 1094 C ASN A2006 2.990 -12.575 3.015 1.00 0.00 C ATOM 1095 O ASN A2006 2.824 -13.058 1.897 1.00 0.00 O ATOM 1096 CB ASN A2006 2.242 -14.622 4.334 1.00 0.00 C ATOM 1097 CG ASN A2006 1.559 -15.385 3.190 1.00 0.00 C ATOM 1098 OD1 ASN A2006 0.415 -15.135 2.817 1.00 0.00 O ATOM 1099 ND2 ASN A2006 2.200 -16.400 2.640 1.00 0.00 N ATOM 0 H ASN A2006 0.555 -12.674 3.100 1.00 0.00 H new ATOM 0 HA ASN A2006 2.690 -12.711 5.139 1.00 0.00 H new ATOM 0 HB2 ASN A2006 3.280 -14.950 4.394 1.00 0.00 H new ATOM 0 HB3 ASN A2006 1.763 -14.907 5.271 1.00 0.00 H new ATOM 0 HD21 ASN A2006 1.745 -16.960 1.919 1.00 0.00 H new ATOM 0 HD22 ASN A2006 3.150 -16.624 2.936 1.00 0.00 H new ATOM 1106 N LEU A2007 3.905 -11.644 3.258 1.00 0.00 N ATOM 1107 CA LEU A2007 4.763 -10.983 2.277 1.00 0.00 C ATOM 1108 C LEU A2007 6.081 -10.650 2.945 1.00 0.00 C ATOM 1109 O LEU A2007 6.192 -10.703 4.174 1.00 0.00 O ATOM 1110 CB LEU A2007 4.136 -9.670 1.812 1.00 0.00 C ATOM 1111 CG LEU A2007 2.726 -9.744 1.187 1.00 0.00 C ATOM 1112 CD1 LEU A2007 2.178 -8.331 1.053 1.00 0.00 C ATOM 1113 CD2 LEU A2007 2.712 -10.437 -0.171 1.00 0.00 C ATOM 0 H LEU A2007 4.080 -11.308 4.205 1.00 0.00 H new ATOM 0 HA LEU A2007 4.898 -11.646 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A2007 4.092 -8.995 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A2007 4.806 -9.216 1.082 1.00 0.00 H new ATOM 0 HG LEU A2007 2.100 -10.345 1.847 1.00 0.00 H new ATOM 0 HD11 LEU A2007 1.182 -8.367 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A2007 2.123 -7.867 2.038 1.00 0.00 H new ATOM 0 HD13 LEU A2007 2.837 -7.745 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A2007 1.693 -10.458 -0.558 1.00 0.00 H new ATOM 0 HD22 LEU A2007 3.353 -9.892 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A2007 3.080 -11.457 -0.063 1.00 0.00 H new ATOM 1125 N LYS A2008 7.118 -10.407 2.145 1.00 0.00 N ATOM 1126 CA LYS A2008 8.424 -10.050 2.669 1.00 0.00 C ATOM 1127 C LYS A2008 9.018 -8.935 1.842 1.00 0.00 C ATOM 1128 O LYS A2008 8.436 -8.559 0.824 1.00 0.00 O ATOM 1129 CB LYS A2008 9.303 -11.284 2.814 1.00 0.00 C ATOM 1130 CG LYS A2008 9.880 -11.873 1.526 1.00 0.00 C ATOM 1131 CD LYS A2008 11.400 -11.723 1.398 1.00 0.00 C ATOM 1132 CE LYS A2008 12.080 -12.434 2.560 1.00 0.00 C ATOM 1133 NZ LYS A2008 13.542 -12.503 2.396 1.00 0.00 N ATOM 0 H LYS A2008 7.073 -10.453 1.127 1.00 0.00 H new ATOM 0 HA LYS A2008 8.335 -9.654 3.681 1.00 0.00 H new ATOM 0 HB2 LYS A2008 10.133 -11.035 3.475 1.00 0.00 H new ATOM 0 HB3 LYS A2008 8.721 -12.060 3.312 1.00 0.00 H new ATOM 0 HG2 LYS A2008 9.624 -12.931 1.476 1.00 0.00 H new ATOM 0 HG3 LYS A2008 9.404 -11.390 0.673 1.00 0.00 H new ATOM 0 HD2 LYS A2008 11.739 -12.144 0.452 1.00 0.00 H new ATOM 0 HD3 LYS A2008 11.673 -10.668 1.394 1.00 0.00 H new ATOM 0 HE2 LYS A2008 11.845 -11.914 3.489 1.00 0.00 H new ATOM 0 HE3 LYS A2008 11.679 -13.444 2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A2008 13.960 -12.995 3.211 1.00 0.00 H new ATOM 0 HZ2 LYS A2008 13.769 -13.022 1.524 1.00 0.00 H new ATOM 0 HZ3 LYS A2008 13.931 -11.540 2.337 1.00 0.00 H new ATOM 1147 N ALA A2009 10.228 -8.510 2.203 1.00 0.00 N ATOM 1148 CA ALA A2009 10.967 -7.443 1.543 1.00 0.00 C ATOM 1149 C ALA A2009 11.060 -7.631 0.020 1.00 0.00 C ATOM 1150 O ALA A2009 11.201 -6.646 -0.698 1.00 0.00 O ATOM 1151 CB ALA A2009 12.326 -7.268 2.216 1.00 0.00 C ATOM 0 H ALA A2009 10.735 -8.915 2.990 1.00 0.00 H new ATOM 0 HA ALA A2009 10.411 -6.514 1.664 1.00 0.00 H new ATOM 0 HB1 ALA A2009 12.877 -6.469 1.720 1.00 0.00 H new ATOM 0 HB2 ALA A2009 12.182 -7.012 3.266 1.00 0.00 H new ATOM 0 HB3 ALA A2009 12.891 -8.198 2.143 1.00 0.00 H new ATOM 1157 N THR A2010 10.943 -8.867 -0.491 1.00 0.00 N ATOM 1158 CA THR A2010 10.969 -9.156 -1.922 1.00 0.00 C ATOM 1159 C THR A2010 9.884 -8.314 -2.604 1.00 0.00 C ATOM 1160 O THR A2010 10.083 -7.867 -3.722 1.00 0.00 O ATOM 1161 CB THR A2010 10.780 -10.673 -2.154 1.00 0.00 C ATOM 1162 OG1 THR A2010 11.194 -11.102 -3.427 1.00 0.00 O ATOM 1163 CG2 THR A2010 9.333 -11.151 -1.990 1.00 0.00 C ATOM 0 H THR A2010 10.827 -9.698 0.089 1.00 0.00 H new ATOM 0 HA THR A2010 11.931 -8.890 -2.359 1.00 0.00 H new ATOM 0 HB THR A2010 11.410 -11.108 -1.379 1.00 0.00 H new ATOM 0 HG1 THR A2010 11.050 -12.068 -3.509 1.00 0.00 H new ATOM 0 HG21 THR A2010 9.282 -12.225 -2.168 1.00 0.00 H new ATOM 0 HG22 THR A2010 8.991 -10.935 -0.978 1.00 0.00 H new ATOM 0 HG23 THR A2010 8.695 -10.634 -2.707 1.00 0.00 H new ATOM 1171 N LYS A2011 8.748 -8.065 -1.930 1.00 0.00 N ATOM 1172 CA LYS A2011 7.651 -7.270 -2.466 1.00 0.00 C ATOM 1173 C LYS A2011 8.111 -5.891 -2.864 1.00 0.00 C ATOM 1174 O LYS A2011 7.766 -5.434 -3.945 1.00 0.00 O ATOM 1175 CB LYS A2011 6.554 -7.066 -1.425 1.00 0.00 C ATOM 1176 CG LYS A2011 5.704 -8.262 -1.119 1.00 0.00 C ATOM 1177 CD LYS A2011 5.079 -8.832 -2.376 1.00 0.00 C ATOM 1178 CE LYS A2011 5.876 -10.021 -2.884 1.00 0.00 C ATOM 1179 NZ LYS A2011 6.005 -11.176 -1.968 1.00 0.00 N ATOM 0 H LYS A2011 8.573 -8.418 -0.989 1.00 0.00 H new ATOM 0 HA LYS A2011 7.279 -7.822 -3.329 1.00 0.00 H new ATOM 0 HB2 LYS A2011 7.019 -6.729 -0.498 1.00 0.00 H new ATOM 0 HB3 LYS A2011 5.903 -6.261 -1.766 1.00 0.00 H new ATOM 0 HG2 LYS A2011 6.310 -9.027 -0.633 1.00 0.00 H new ATOM 0 HG3 LYS A2011 4.920 -7.983 -0.415 1.00 0.00 H new ATOM 0 HD2 LYS A2011 4.053 -9.137 -2.171 1.00 0.00 H new ATOM 0 HD3 LYS A2011 5.035 -8.062 -3.147 1.00 0.00 H new ATOM 0 HE2 LYS A2011 5.415 -10.370 -3.808 1.00 0.00 H new ATOM 0 HE3 LYS A2011 6.878 -9.675 -3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A2011 6.239 -12.029 -2.515 1.00 0.00 H new ATOM 0 HZ2 LYS A2011 6.760 -10.989 -1.278 1.00 0.00 H new ATOM 0 HZ3 LYS A2011 5.106 -11.323 -1.466 1.00 0.00 H new ATOM 1193 N LEU A2012 8.856 -5.237 -1.980 1.00 0.00 N ATOM 1194 CA LEU A2012 9.361 -3.895 -2.231 1.00 0.00 C ATOM 1195 C LEU A2012 10.263 -3.902 -3.466 1.00 0.00 C ATOM 1196 O LEU A2012 10.337 -2.899 -4.174 1.00 0.00 O ATOM 1197 CB LEU A2012 10.059 -3.354 -0.966 1.00 0.00 C ATOM 1198 CG LEU A2012 9.097 -2.687 0.043 1.00 0.00 C ATOM 1199 CD1 LEU A2012 8.629 -1.345 -0.523 1.00 0.00 C ATOM 1200 CD2 LEU A2012 7.914 -3.588 0.445 1.00 0.00 C ATOM 0 H LEU A2012 9.125 -5.621 -1.074 1.00 0.00 H new ATOM 0 HA LEU A2012 8.539 -3.214 -2.450 1.00 0.00 H new ATOM 0 HB2 LEU A2012 10.578 -4.174 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A2012 10.818 -2.630 -1.263 1.00 0.00 H new ATOM 0 HG LEU A2012 9.646 -2.518 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A2012 7.950 -0.869 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A2012 9.491 -0.699 -0.689 1.00 0.00 H new ATOM 0 HD13 LEU A2012 8.112 -1.509 -1.468 1.00 0.00 H new ATOM 0 HD21 LEU A2012 7.278 -3.059 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A2012 7.334 -3.843 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A2012 8.292 -4.500 0.907 1.00 0.00 H new ATOM 1212 N TYR A2013 10.937 -5.020 -3.740 1.00 0.00 N ATOM 1213 CA TYR A2013 11.806 -5.167 -4.895 1.00 0.00 C ATOM 1214 C TYR A2013 11.013 -5.611 -6.132 1.00 0.00 C ATOM 1215 O TYR A2013 11.485 -5.384 -7.246 1.00 0.00 O ATOM 1216 CB TYR A2013 12.915 -6.187 -4.586 1.00 0.00 C ATOM 1217 CG TYR A2013 14.248 -5.845 -5.226 1.00 0.00 C ATOM 1218 CD1 TYR A2013 14.536 -6.207 -6.558 1.00 0.00 C ATOM 1219 CD2 TYR A2013 15.198 -5.127 -4.479 1.00 0.00 C ATOM 1220 CE1 TYR A2013 15.777 -5.864 -7.133 1.00 0.00 C ATOM 1221 CE2 TYR A2013 16.428 -4.764 -5.051 1.00 0.00 C ATOM 1222 CZ TYR A2013 16.728 -5.133 -6.379 1.00 0.00 C ATOM 1223 OH TYR A2013 17.928 -4.773 -6.898 1.00 0.00 O ATOM 0 H TYR A2013 10.890 -5.855 -3.156 1.00 0.00 H new ATOM 0 HA TYR A2013 12.254 -4.197 -5.111 1.00 0.00 H new ATOM 0 HB2 TYR A2013 13.046 -6.253 -3.506 1.00 0.00 H new ATOM 0 HB3 TYR A2013 12.598 -7.172 -4.930 1.00 0.00 H new ATOM 0 HD1 TYR A2013 13.804 -6.748 -7.139 1.00 0.00 H new ATOM 0 HD2 TYR A2013 14.980 -4.852 -3.457 1.00 0.00 H new ATOM 0 HE1 TYR A2013 16.002 -6.158 -8.147 1.00 0.00 H new ATOM 0 HE2 TYR A2013 17.146 -4.201 -4.473 1.00 0.00 H new ATOM 0 HH TYR A2013 18.439 -4.276 -6.226 1.00 0.00 H new ATOM 1233 N ASP A2014 9.828 -6.219 -5.977 1.00 0.00 N ATOM 1234 CA ASP A2014 9.030 -6.691 -7.112 1.00 0.00 C ATOM 1235 C ASP A2014 8.035 -5.644 -7.602 1.00 0.00 C ATOM 1236 O ASP A2014 7.720 -5.587 -8.791 1.00 0.00 O ATOM 1237 CB ASP A2014 8.279 -7.976 -6.706 1.00 0.00 C ATOM 1238 CG ASP A2014 8.333 -9.087 -7.757 1.00 0.00 C ATOM 1239 OD1 ASP A2014 8.866 -8.888 -8.867 1.00 0.00 O ATOM 1240 OD2 ASP A2014 7.989 -10.240 -7.403 1.00 0.00 O ATOM 0 H ASP A2014 9.401 -6.395 -5.068 1.00 0.00 H new ATOM 0 HA ASP A2014 9.714 -6.893 -7.936 1.00 0.00 H new ATOM 0 HB2 ASP A2014 8.700 -8.351 -5.773 1.00 0.00 H new ATOM 0 HB3 ASP A2014 7.236 -7.728 -6.508 1.00 0.00 H new ATOM 1245 N TYR A2015 7.587 -4.783 -6.684 1.00 0.00 N ATOM 1246 CA TYR A2015 6.623 -3.722 -6.906 1.00 0.00 C ATOM 1247 C TYR A2015 7.067 -2.467 -6.129 1.00 0.00 C ATOM 1248 O TYR A2015 6.647 -2.253 -4.992 1.00 0.00 O ATOM 1249 CB TYR A2015 5.237 -4.210 -6.461 1.00 0.00 C ATOM 1250 CG TYR A2015 4.878 -5.654 -6.746 1.00 0.00 C ATOM 1251 CD1 TYR A2015 4.748 -6.103 -8.068 1.00 0.00 C ATOM 1252 CD2 TYR A2015 4.676 -6.546 -5.678 1.00 0.00 C ATOM 1253 CE1 TYR A2015 4.381 -7.431 -8.333 1.00 0.00 C ATOM 1254 CE2 TYR A2015 4.281 -7.870 -5.935 1.00 0.00 C ATOM 1255 CZ TYR A2015 4.122 -8.314 -7.264 1.00 0.00 C ATOM 1256 OH TYR A2015 3.727 -9.592 -7.500 1.00 0.00 O ATOM 0 H TYR A2015 7.909 -4.816 -5.717 1.00 0.00 H new ATOM 0 HA TYR A2015 6.567 -3.460 -7.963 1.00 0.00 H new ATOM 0 HB2 TYR A2015 5.153 -4.049 -5.386 1.00 0.00 H new ATOM 0 HB3 TYR A2015 4.489 -3.577 -6.938 1.00 0.00 H new ATOM 0 HD1 TYR A2015 4.931 -5.423 -8.887 1.00 0.00 H new ATOM 0 HD2 TYR A2015 4.824 -6.214 -4.661 1.00 0.00 H new ATOM 0 HE1 TYR A2015 4.297 -7.776 -9.353 1.00 0.00 H new ATOM 0 HE2 TYR A2015 4.099 -8.548 -5.114 1.00 0.00 H new ATOM 0 HH TYR A2015 2.964 -9.810 -6.925 1.00 0.00 H new ATOM 1266 N PRO A2016 7.925 -1.612 -6.702 1.00 0.00 N ATOM 1267 CA PRO A2016 8.412 -0.399 -6.052 1.00 0.00 C ATOM 1268 C PRO A2016 7.393 0.754 -6.007 1.00 0.00 C ATOM 1269 O PRO A2016 7.758 1.789 -5.458 1.00 0.00 O ATOM 1270 CB PRO A2016 9.632 0.001 -6.885 1.00 0.00 C ATOM 1271 CG PRO A2016 9.209 -0.422 -8.283 1.00 0.00 C ATOM 1272 CD PRO A2016 8.515 -1.742 -8.022 1.00 0.00 C ATOM 0 HA PRO A2016 8.629 -0.595 -5.002 1.00 0.00 H new ATOM 0 HB2 PRO A2016 9.834 1.070 -6.826 1.00 0.00 H new ATOM 0 HB3 PRO A2016 10.536 -0.513 -6.559 1.00 0.00 H new ATOM 0 HG2 PRO A2016 8.540 0.305 -8.744 1.00 0.00 H new ATOM 0 HG3 PRO A2016 10.064 -0.536 -8.950 1.00 0.00 H new ATOM 0 HD2 PRO A2016 7.753 -1.941 -8.775 1.00 0.00 H new ATOM 0 HD3 PRO A2016 9.222 -2.571 -8.057 1.00 0.00 H new ATOM 1280 N THR A2017 6.191 0.634 -6.583 1.00 0.00 N ATOM 1281 CA THR A2017 5.145 1.657 -6.590 1.00 0.00 C ATOM 1282 C THR A2017 3.853 1.017 -6.065 1.00 0.00 C ATOM 1283 O THR A2017 3.672 -0.203 -6.112 1.00 0.00 O ATOM 1284 CB THR A2017 4.981 2.332 -7.970 1.00 0.00 C ATOM 1285 OG1 THR A2017 4.189 1.579 -8.861 1.00 0.00 O ATOM 1286 CG2 THR A2017 6.288 2.591 -8.719 1.00 0.00 C ATOM 0 H THR A2017 5.912 -0.214 -7.076 1.00 0.00 H new ATOM 0 HA THR A2017 5.427 2.478 -5.930 1.00 0.00 H new ATOM 0 HB THR A2017 4.510 3.277 -7.700 1.00 0.00 H new ATOM 0 HG1 THR A2017 4.767 1.009 -9.411 1.00 0.00 H new ATOM 0 HG21 THR A2017 6.071 3.067 -9.675 1.00 0.00 H new ATOM 0 HG22 THR A2017 6.925 3.246 -8.124 1.00 0.00 H new ATOM 0 HG23 THR A2017 6.802 1.645 -8.892 1.00 0.00 H new ATOM 1294 N LEU A2018 2.935 1.829 -5.548 1.00 0.00 N ATOM 1295 CA LEU A2018 1.654 1.399 -4.972 1.00 0.00 C ATOM 1296 C LEU A2018 0.772 0.718 -5.995 1.00 0.00 C ATOM 1297 O LEU A2018 0.041 -0.199 -5.635 1.00 0.00 O ATOM 1298 CB LEU A2018 0.882 2.628 -4.463 1.00 0.00 C ATOM 1299 CG LEU A2018 1.695 3.420 -3.441 1.00 0.00 C ATOM 1300 CD1 LEU A2018 1.164 4.823 -3.236 1.00 0.00 C ATOM 1301 CD2 LEU A2018 1.767 2.684 -2.119 1.00 0.00 C ATOM 0 H LEU A2018 3.062 2.840 -5.515 1.00 0.00 H new ATOM 0 HA LEU A2018 1.886 0.700 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A2018 0.628 3.273 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A2018 -0.057 2.307 -4.012 1.00 0.00 H new ATOM 0 HG LEU A2018 2.701 3.514 -3.849 1.00 0.00 H new ATOM 0 HD11 LEU A2018 1.779 5.341 -2.500 1.00 0.00 H new ATOM 0 HD12 LEU A2018 1.195 5.365 -4.181 1.00 0.00 H new ATOM 0 HD13 LEU A2018 0.135 4.774 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A2018 2.351 3.269 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A2018 0.760 2.539 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A2018 2.242 1.714 -2.268 1.00 0.00 H new ATOM 1313 N LEU A2019 0.822 1.163 -7.248 1.00 0.00 N ATOM 1314 CA LEU A2019 0.007 0.613 -8.325 1.00 0.00 C ATOM 1315 C LEU A2019 0.170 -0.901 -8.434 1.00 0.00 C ATOM 1316 O LEU A2019 -0.806 -1.653 -8.392 1.00 0.00 O ATOM 1317 CB LEU A2019 0.394 1.318 -9.638 1.00 0.00 C ATOM 1318 CG LEU A2019 -0.230 2.717 -9.754 1.00 0.00 C ATOM 1319 CD1 LEU A2019 0.481 3.522 -10.843 1.00 0.00 C ATOM 1320 CD2 LEU A2019 -1.743 2.729 -9.995 1.00 0.00 C ATOM 0 H LEU A2019 1.435 1.922 -7.546 1.00 0.00 H new ATOM 0 HA LEU A2019 -1.047 0.793 -8.112 1.00 0.00 H new ATOM 0 HB2 LEU A2019 1.479 1.401 -9.697 1.00 0.00 H new ATOM 0 HB3 LEU A2019 0.074 0.709 -10.483 1.00 0.00 H new ATOM 0 HG LEU A2019 -0.087 3.180 -8.778 1.00 0.00 H new ATOM 0 HD11 LEU A2019 0.030 4.512 -10.916 1.00 0.00 H new ATOM 0 HD12 LEU A2019 1.537 3.622 -10.591 1.00 0.00 H new ATOM 0 HD13 LEU A2019 0.383 3.007 -11.799 1.00 0.00 H new ATOM 0 HD21 LEU A2019 -2.092 3.759 -10.063 1.00 0.00 H new ATOM 0 HD22 LEU A2019 -1.967 2.208 -10.926 1.00 0.00 H new ATOM 0 HD23 LEU A2019 -2.247 2.229 -9.168 1.00 0.00 H new ATOM 1332 N GLU A2020 1.413 -1.333 -8.574 1.00 0.00 N ATOM 1333 CA GLU A2020 1.842 -2.716 -8.710 1.00 0.00 C ATOM 1334 C GLU A2020 1.774 -3.462 -7.375 1.00 0.00 C ATOM 1335 O GLU A2020 1.344 -4.620 -7.345 1.00 0.00 O ATOM 1336 CB GLU A2020 3.212 -2.790 -9.421 1.00 0.00 C ATOM 1337 CG GLU A2020 4.167 -1.644 -9.054 1.00 0.00 C ATOM 1338 CD GLU A2020 5.364 -1.452 -9.975 1.00 0.00 C ATOM 1339 OE1 GLU A2020 6.067 -2.429 -10.289 1.00 0.00 O ATOM 1340 OE2 GLU A2020 5.574 -0.284 -10.385 1.00 0.00 O ATOM 0 H GLU A2020 2.200 -0.685 -8.597 1.00 0.00 H new ATOM 0 HA GLU A2020 1.143 -3.247 -9.356 1.00 0.00 H new ATOM 0 HB2 GLU A2020 3.688 -3.739 -9.174 1.00 0.00 H new ATOM 0 HB3 GLU A2020 3.051 -2.785 -10.499 1.00 0.00 H new ATOM 0 HG2 GLU A2020 3.597 -0.715 -9.033 1.00 0.00 H new ATOM 0 HG3 GLU A2020 4.536 -1.815 -8.042 1.00 0.00 H new ATOM 1347 N LEU A2021 2.127 -2.797 -6.266 1.00 0.00 N ATOM 1348 CA LEU A2021 2.109 -3.385 -4.926 1.00 0.00 C ATOM 1349 C LEU A2021 0.687 -3.820 -4.574 1.00 0.00 C ATOM 1350 O LEU A2021 0.464 -4.971 -4.195 1.00 0.00 O ATOM 1351 CB LEU A2021 2.640 -2.383 -3.894 1.00 0.00 C ATOM 1352 CG LEU A2021 3.104 -3.084 -2.597 1.00 0.00 C ATOM 1353 CD1 LEU A2021 4.620 -3.280 -2.568 1.00 0.00 C ATOM 1354 CD2 LEU A2021 2.733 -2.237 -1.392 1.00 0.00 C ATOM 0 H LEU A2021 2.436 -1.825 -6.278 1.00 0.00 H new ATOM 0 HA LEU A2021 2.759 -4.260 -4.912 1.00 0.00 H new ATOM 0 HB2 LEU A2021 3.473 -1.826 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A2021 1.861 -1.659 -3.657 1.00 0.00 H new ATOM 0 HG LEU A2021 2.612 -4.056 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A2021 4.905 -3.776 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A2021 4.924 -3.894 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A2021 5.113 -2.310 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A2021 3.063 -2.736 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A2021 3.218 -1.264 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A2021 1.652 -2.102 -1.361 1.00 0.00 H new ATOM 1366 N SER A2022 -0.259 -2.888 -4.705 1.00 0.00 N ATOM 1367 CA SER A2022 -1.673 -3.062 -4.428 1.00 0.00 C ATOM 1368 C SER A2022 -2.276 -4.140 -5.320 1.00 0.00 C ATOM 1369 O SER A2022 -3.121 -4.906 -4.856 1.00 0.00 O ATOM 1370 CB SER A2022 -2.369 -1.716 -4.674 1.00 0.00 C ATOM 1371 OG SER A2022 -3.600 -1.642 -4.008 1.00 0.00 O ATOM 0 H SER A2022 -0.040 -1.944 -5.024 1.00 0.00 H new ATOM 0 HA SER A2022 -1.811 -3.381 -3.395 1.00 0.00 H new ATOM 0 HB2 SER A2022 -1.723 -0.905 -4.337 1.00 0.00 H new ATOM 0 HB3 SER A2022 -2.525 -1.576 -5.744 1.00 0.00 H new ATOM 0 HG SER A2022 -4.294 -1.347 -4.634 1.00 0.00 H new ATOM 1377 N GLY A2023 -1.820 -4.210 -6.574 1.00 0.00 N ATOM 1378 CA GLY A2023 -2.295 -5.156 -7.564 1.00 0.00 C ATOM 1379 C GLY A2023 -2.191 -6.581 -7.062 1.00 0.00 C ATOM 1380 O GLY A2023 -3.171 -7.325 -7.138 1.00 0.00 O ATOM 0 H GLY A2023 -1.092 -3.590 -6.929 1.00 0.00 H new ATOM 0 HA2 GLY A2023 -3.332 -4.932 -7.815 1.00 0.00 H new ATOM 0 HA3 GLY A2023 -1.714 -5.048 -8.480 1.00 0.00 H new ATOM 1384 N TYR A2024 -1.025 -6.935 -6.525 1.00 0.00 N ATOM 1385 CA TYR A2024 -0.799 -8.267 -5.997 1.00 0.00 C ATOM 1386 C TYR A2024 -1.613 -8.471 -4.729 1.00 0.00 C ATOM 1387 O TYR A2024 -2.402 -9.404 -4.689 1.00 0.00 O ATOM 1388 CB TYR A2024 0.686 -8.509 -5.727 1.00 0.00 C ATOM 1389 CG TYR A2024 1.052 -9.887 -5.185 1.00 0.00 C ATOM 1390 CD1 TYR A2024 0.466 -11.065 -5.704 1.00 0.00 C ATOM 1391 CD2 TYR A2024 2.017 -9.992 -4.164 1.00 0.00 C ATOM 1392 CE1 TYR A2024 0.862 -12.332 -5.229 1.00 0.00 C ATOM 1393 CE2 TYR A2024 2.436 -11.254 -3.717 1.00 0.00 C ATOM 1394 CZ TYR A2024 1.872 -12.426 -4.248 1.00 0.00 C ATOM 1395 OH TYR A2024 2.315 -13.617 -3.768 1.00 0.00 O ATOM 0 H TYR A2024 -0.222 -6.310 -6.447 1.00 0.00 H new ATOM 0 HA TYR A2024 -1.123 -8.991 -6.745 1.00 0.00 H new ATOM 0 HB2 TYR A2024 1.234 -8.348 -6.655 1.00 0.00 H new ATOM 0 HB3 TYR A2024 1.033 -7.758 -5.018 1.00 0.00 H new ATOM 0 HD1 TYR A2024 -0.291 -10.993 -6.471 1.00 0.00 H new ATOM 0 HD2 TYR A2024 2.435 -9.099 -3.724 1.00 0.00 H new ATOM 0 HE1 TYR A2024 0.395 -13.226 -5.614 1.00 0.00 H new ATOM 0 HE2 TYR A2024 3.200 -11.325 -2.957 1.00 0.00 H new ATOM 0 HH TYR A2024 3.014 -13.461 -3.100 1.00 0.00 H new ATOM 1405 N ILE A2025 -1.501 -7.576 -3.735 1.00 0.00 N ATOM 1406 CA ILE A2025 -2.205 -7.692 -2.455 1.00 0.00 C ATOM 1407 C ILE A2025 -3.682 -7.961 -2.650 1.00 0.00 C ATOM 1408 O ILE A2025 -4.195 -8.893 -2.031 1.00 0.00 O ATOM 1409 CB ILE A2025 -2.037 -6.407 -1.610 1.00 0.00 C ATOM 1410 CG1 ILE A2025 -0.557 -6.220 -1.224 1.00 0.00 C ATOM 1411 CG2 ILE A2025 -2.913 -6.379 -0.330 1.00 0.00 C ATOM 1412 CD1 ILE A2025 -0.336 -4.943 -0.419 1.00 0.00 C ATOM 0 H ILE A2025 -0.913 -6.745 -3.801 1.00 0.00 H new ATOM 0 HA ILE A2025 -1.759 -8.536 -1.929 1.00 0.00 H new ATOM 0 HB ILE A2025 -2.378 -5.585 -2.239 1.00 0.00 H new ATOM 0 HG12 ILE A2025 -0.222 -7.079 -0.642 1.00 0.00 H new ATOM 0 HG13 ILE A2025 0.053 -6.190 -2.127 1.00 0.00 H new ATOM 0 HG21 ILE A2025 -2.740 -5.448 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A2025 -3.965 -6.448 -0.607 1.00 0.00 H new ATOM 0 HG23 ILE A2025 -2.651 -7.222 0.309 1.00 0.00 H new ATOM 0 HD11 ILE A2025 0.720 -4.850 -0.167 1.00 0.00 H new ATOM 0 HD12 ILE A2025 -0.646 -4.082 -1.011 1.00 0.00 H new ATOM 0 HD13 ILE A2025 -0.925 -4.984 0.497 1.00 0.00 H new ATOM 1424 N ALA A2026 -4.347 -7.154 -3.474 1.00 0.00 N ATOM 1425 CA ALA A2026 -5.761 -7.300 -3.729 1.00 0.00 C ATOM 1426 C ALA A2026 -6.090 -8.727 -4.163 1.00 0.00 C ATOM 1427 O ALA A2026 -7.098 -9.267 -3.733 1.00 0.00 O ATOM 1428 CB ALA A2026 -6.186 -6.265 -4.773 1.00 0.00 C ATOM 0 H ALA A2026 -3.912 -6.383 -3.980 1.00 0.00 H new ATOM 0 HA ALA A2026 -6.324 -7.118 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA A2026 -7.253 -6.367 -4.973 1.00 0.00 H new ATOM 0 HB2 ALA A2026 -5.981 -5.263 -4.396 1.00 0.00 H new ATOM 0 HB3 ALA A2026 -5.627 -6.427 -5.695 1.00 0.00 H new ATOM 1434 N GLN A2027 -5.252 -9.350 -4.992 1.00 0.00 N ATOM 1435 CA GLN A2027 -5.459 -10.707 -5.488 1.00 0.00 C ATOM 1436 C GLN A2027 -5.184 -11.743 -4.394 1.00 0.00 C ATOM 1437 O GLN A2027 -5.827 -12.795 -4.382 1.00 0.00 O ATOM 1438 CB GLN A2027 -4.597 -10.935 -6.741 1.00 0.00 C ATOM 1439 CG GLN A2027 -5.074 -9.991 -7.866 1.00 0.00 C ATOM 1440 CD GLN A2027 -4.209 -9.939 -9.123 1.00 0.00 C ATOM 1441 OE1 GLN A2027 -3.010 -10.209 -9.107 1.00 0.00 O ATOM 1442 NE2 GLN A2027 -4.782 -9.583 -10.262 1.00 0.00 N ATOM 0 H GLN A2027 -4.397 -8.917 -5.342 1.00 0.00 H new ATOM 0 HA GLN A2027 -6.504 -10.831 -5.772 1.00 0.00 H new ATOM 0 HB2 GLN A2027 -3.548 -10.748 -6.514 1.00 0.00 H new ATOM 0 HB3 GLN A2027 -4.673 -11.973 -7.065 1.00 0.00 H new ATOM 0 HG2 GLN A2027 -6.081 -10.289 -8.157 1.00 0.00 H new ATOM 0 HG3 GLN A2027 -5.145 -8.983 -7.458 1.00 0.00 H new ATOM 0 HE21 GLN A2027 -5.776 -9.357 -10.284 1.00 0.00 H new ATOM 0 HE22 GLN A2027 -4.229 -9.534 -11.118 1.00 0.00 H new ATOM 1451 N ILE A2028 -4.282 -11.456 -3.451 1.00 0.00 N ATOM 1452 CA ILE A2028 -3.963 -12.378 -2.367 1.00 0.00 C ATOM 1453 C ILE A2028 -5.185 -12.478 -1.469 1.00 0.00 C ATOM 1454 O ILE A2028 -5.674 -13.588 -1.248 1.00 0.00 O ATOM 1455 CB ILE A2028 -2.757 -11.901 -1.520 1.00 0.00 C ATOM 1456 CG1 ILE A2028 -1.518 -11.665 -2.381 1.00 0.00 C ATOM 1457 CG2 ILE A2028 -2.399 -12.898 -0.405 1.00 0.00 C ATOM 1458 CD1 ILE A2028 -0.389 -10.984 -1.611 1.00 0.00 C ATOM 0 H ILE A2028 -3.757 -10.582 -3.421 1.00 0.00 H new ATOM 0 HA ILE A2028 -3.694 -13.341 -2.801 1.00 0.00 H new ATOM 0 HB ILE A2028 -3.069 -10.960 -1.067 1.00 0.00 H new ATOM 0 HG12 ILE A2028 -1.163 -12.619 -2.770 1.00 0.00 H new ATOM 0 HG13 ILE A2028 -1.789 -11.051 -3.240 1.00 0.00 H new ATOM 0 HG21 ILE A2028 -1.548 -12.520 0.161 1.00 0.00 H new ATOM 0 HG22 ILE A2028 -3.253 -13.021 0.261 1.00 0.00 H new ATOM 0 HG23 ILE A2028 -2.142 -13.861 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A2028 0.467 -10.841 -2.271 1.00 0.00 H new ATOM 0 HD12 ILE A2028 -0.731 -10.016 -1.244 1.00 0.00 H new ATOM 0 HD13 ILE A2028 -0.096 -11.609 -0.767 1.00 0.00 H new ATOM 1470 N LEU A2029 -5.685 -11.339 -0.968 1.00 0.00 N ATOM 1471 CA LEU A2029 -6.861 -11.333 -0.098 1.00 0.00 C ATOM 1472 C LEU A2029 -8.093 -11.787 -0.880 1.00 0.00 C ATOM 1473 O LEU A2029 -8.990 -12.398 -0.306 1.00 0.00 O ATOM 1474 CB LEU A2029 -7.093 -10.015 0.645 1.00 0.00 C ATOM 1475 CG LEU A2029 -7.119 -8.742 -0.200 1.00 0.00 C ATOM 1476 CD1 LEU A2029 -8.495 -8.457 -0.802 1.00 0.00 C ATOM 1477 CD2 LEU A2029 -6.631 -7.562 0.627 1.00 0.00 C ATOM 0 H LEU A2029 -5.292 -10.416 -1.152 1.00 0.00 H new ATOM 0 HA LEU A2029 -6.664 -12.051 0.698 1.00 0.00 H new ATOM 0 HB2 LEU A2029 -8.041 -10.088 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A2029 -6.312 -9.907 1.397 1.00 0.00 H new ATOM 0 HG LEU A2029 -6.445 -8.897 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A2029 -8.452 -7.541 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A2029 -8.791 -9.287 -1.443 1.00 0.00 H new ATOM 0 HD13 LEU A2029 -9.225 -8.339 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A2029 -6.652 -6.658 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A2029 -7.280 -7.432 1.493 1.00 0.00 H new ATOM 0 HD23 LEU A2029 -5.611 -7.750 0.963 1.00 0.00 H new ATOM 1489 N SER A2030 -8.124 -11.564 -2.198 1.00 0.00 N ATOM 1490 CA SER A2030 -9.253 -11.996 -3.028 1.00 0.00 C ATOM 1491 C SER A2030 -9.309 -13.528 -3.010 1.00 0.00 C ATOM 1492 O SER A2030 -10.374 -14.119 -3.179 1.00 0.00 O ATOM 1493 CB SER A2030 -9.083 -11.496 -4.474 1.00 0.00 C ATOM 1494 OG SER A2030 -10.235 -11.663 -5.268 1.00 0.00 O ATOM 0 H SER A2030 -7.382 -11.088 -2.712 1.00 0.00 H new ATOM 0 HA SER A2030 -10.179 -11.579 -2.631 1.00 0.00 H new ATOM 0 HB2 SER A2030 -8.815 -10.440 -4.455 1.00 0.00 H new ATOM 0 HB3 SER A2030 -8.252 -12.027 -4.938 1.00 0.00 H new ATOM 0 HG SER A2030 -10.061 -11.325 -6.171 1.00 0.00 H new ATOM 1500 N SER A2031 -8.156 -14.174 -2.811 1.00 0.00 N ATOM 1501 CA SER A2031 -8.059 -15.625 -2.782 1.00 0.00 C ATOM 1502 C SER A2031 -8.283 -16.151 -1.371 1.00 0.00 C ATOM 1503 O SER A2031 -8.543 -17.343 -1.197 1.00 0.00 O ATOM 1504 CB SER A2031 -6.701 -16.074 -3.331 1.00 0.00 C ATOM 1505 OG SER A2031 -6.703 -17.461 -3.623 1.00 0.00 O ATOM 0 H SER A2031 -7.265 -13.699 -2.666 1.00 0.00 H new ATOM 0 HA SER A2031 -8.840 -16.042 -3.419 1.00 0.00 H new ATOM 0 HB2 SER A2031 -6.465 -15.509 -4.233 1.00 0.00 H new ATOM 0 HB3 SER A2031 -5.920 -15.853 -2.603 1.00 0.00 H new ATOM 0 HG SER A2031 -7.193 -17.942 -2.924 1.00 0.00 H new