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+ -110:sc= 2.63 (180deg=0.982) USER MOD Set 1.2: A2015 TYR OH : rot -132:sc= 1.15 USER MOD Set 2.1: A1964 GLN : amide:sc= 0.557 K(o=2.6,f=1.2) USER MOD Set 2.2: A2002 THR OG1 : rot 92:sc= 2.02 USER MOD Single : A1955 SER OG : rot -31:sc= 0.00126 USER MOD Single : A1958 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.18) USER MOD Single : A1959 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1962 LYS NZ :NH3+ -163:sc= 1.23 (180deg=1.09) USER MOD Single : A1963 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A1970 TYR OH : rot 180:sc= 0 USER MOD Single : A1971 THR OG1 : rot 180:sc= 0.0627 USER MOD Single : A1974 SER OG : rot 180:sc= 0 USER MOD Single : A1980 GLN : amide:sc= -0.337 K(o=-0.34,f=-0.88) 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 170:sc= 0.0255 USER MOD Single : A1997 THR OG1 : rot 180:sc= 0 USER MOD Single : A1998 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A2000 ASN : amide:sc= 0.613 K(o=0.61,f=-5.5!) USER MOD Single : A2001 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2003 TYR OH : rot 180:sc= 0 USER MOD Single : A2004 ASN : amide:sc= -0.0345 K(o=-0.034,f=-1.2) USER MOD Single : A2006 ASN : amide:sc= -0.195 K(o=-0.2,f=-0.79) USER MOD Single : A2008 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2010 THR OG1 : rot 180:sc= -0.414 USER MOD Single : A2013 TYR OH : rot 180:sc= 0 USER MOD Single : A2017 THR OG1 : rot -77:sc= 0.672 USER MOD Single : A2022 SER OG : rot -78:sc= 1.3 USER MOD Single : A2024 TYR OH : rot 180:sc= 0 USER MOD Single : A2027 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A2030 SER OG : rot -24:sc= 0.242 USER MOD Single : A2031 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 285 N SER A1955 -8.235 -0.105 -5.925 1.00 0.00 N ATOM 286 CA SER A1955 -7.908 1.284 -5.623 1.00 0.00 C ATOM 287 C SER A1955 -7.941 1.578 -4.124 1.00 0.00 C ATOM 288 O SER A1955 -7.182 2.431 -3.670 1.00 0.00 O ATOM 289 CB SER A1955 -8.742 2.268 -6.443 1.00 0.00 C ATOM 290 OG SER A1955 -10.082 2.228 -6.031 1.00 0.00 O ATOM 0 HA SER A1955 -6.874 1.436 -5.933 1.00 0.00 H new ATOM 0 HB2 SER A1955 -8.348 3.277 -6.325 1.00 0.00 H new ATOM 0 HB3 SER A1955 -8.672 2.021 -7.502 1.00 0.00 H new ATOM 0 HG SER A1955 -10.300 1.327 -5.713 1.00 0.00 H new ATOM 296 N GLU A1956 -8.839 0.922 -3.378 1.00 0.00 N ATOM 297 CA GLU A1956 -8.978 1.127 -1.941 1.00 0.00 C ATOM 298 C GLU A1956 -7.633 0.797 -1.286 1.00 0.00 C ATOM 299 O GLU A1956 -7.123 1.573 -0.482 1.00 0.00 O ATOM 300 CB GLU A1956 -10.128 0.281 -1.360 1.00 0.00 C ATOM 301 CG GLU A1956 -11.474 0.390 -2.098 1.00 0.00 C ATOM 302 CD GLU A1956 -12.311 1.636 -1.792 1.00 0.00 C ATOM 303 OE1 GLU A1956 -11.784 2.773 -1.843 1.00 0.00 O ATOM 304 OE2 GLU A1956 -13.544 1.483 -1.634 1.00 0.00 O ATOM 0 H GLU A1956 -9.488 0.234 -3.760 1.00 0.00 H new ATOM 0 HA GLU A1956 -9.239 2.165 -1.733 1.00 0.00 H new ATOM 0 HB2 GLU A1956 -9.820 -0.765 -1.357 1.00 0.00 H new ATOM 0 HB3 GLU A1956 -10.280 0.572 -0.321 1.00 0.00 H new ATOM 0 HG2 GLU A1956 -11.281 0.361 -3.170 1.00 0.00 H new ATOM 0 HG3 GLU A1956 -12.069 -0.491 -1.858 1.00 0.00 H new ATOM 311 N ILE A1957 -7.022 -0.326 -1.682 1.00 0.00 N ATOM 312 CA ILE A1957 -5.727 -0.747 -1.163 1.00 0.00 C ATOM 313 C ILE A1957 -4.700 0.293 -1.571 1.00 0.00 C ATOM 314 O ILE A1957 -3.948 0.782 -0.738 1.00 0.00 O ATOM 315 CB ILE A1957 -5.329 -2.106 -1.773 1.00 0.00 C ATOM 316 CG1 ILE A1957 -6.310 -3.192 -1.325 1.00 0.00 C ATOM 317 CG2 ILE A1957 -3.882 -2.533 -1.447 1.00 0.00 C ATOM 318 CD1 ILE A1957 -6.401 -4.281 -2.393 1.00 0.00 C ATOM 0 H ILE A1957 -7.417 -0.965 -2.372 1.00 0.00 H new ATOM 0 HA ILE A1957 -5.776 -0.846 -0.079 1.00 0.00 H new ATOM 0 HB ILE A1957 -5.375 -1.980 -2.855 1.00 0.00 H new ATOM 0 HG12 ILE A1957 -5.982 -3.624 -0.380 1.00 0.00 H new ATOM 0 HG13 ILE A1957 -7.294 -2.757 -1.152 1.00 0.00 H new ATOM 0 HG21 ILE A1957 -3.674 -3.498 -1.909 1.00 0.00 H new ATOM 0 HG22 ILE A1957 -3.187 -1.788 -1.834 1.00 0.00 H new ATOM 0 HG23 ILE A1957 -3.761 -2.615 -0.367 1.00 0.00 H new ATOM 0 HD11 ILE A1957 -7.101 -5.051 -2.069 1.00 0.00 H new ATOM 0 HD12 ILE A1957 -6.750 -3.845 -3.329 1.00 0.00 H new ATOM 0 HD13 ILE A1957 -5.417 -4.725 -2.545 1.00 0.00 H new ATOM 330 N LYS A1958 -4.649 0.618 -2.864 1.00 0.00 N ATOM 331 CA LYS A1958 -3.701 1.570 -3.414 1.00 0.00 C ATOM 332 C LYS A1958 -3.619 2.866 -2.614 1.00 0.00 C ATOM 333 O LYS A1958 -2.508 3.304 -2.308 1.00 0.00 O ATOM 334 CB LYS A1958 -4.044 1.811 -4.879 1.00 0.00 C ATOM 335 CG LYS A1958 -2.972 2.677 -5.536 1.00 0.00 C ATOM 336 CD LYS A1958 -3.241 2.888 -7.017 1.00 0.00 C ATOM 337 CE LYS A1958 -4.643 3.442 -7.299 1.00 0.00 C ATOM 338 NZ LYS A1958 -4.723 4.046 -8.639 1.00 0.00 N ATOM 0 H LYS A1958 -5.276 0.218 -3.562 1.00 0.00 H new ATOM 0 HA LYS A1958 -2.701 1.143 -3.344 1.00 0.00 H new ATOM 0 HB2 LYS A1958 -4.124 0.858 -5.403 1.00 0.00 H new ATOM 0 HB3 LYS A1958 -5.015 2.300 -4.957 1.00 0.00 H new ATOM 0 HG2 LYS A1958 -2.928 3.643 -5.034 1.00 0.00 H new ATOM 0 HG3 LYS A1958 -1.997 2.207 -5.408 1.00 0.00 H new ATOM 0 HD2 LYS A1958 -2.497 3.574 -7.421 1.00 0.00 H new ATOM 0 HD3 LYS A1958 -3.119 1.940 -7.541 1.00 0.00 H new ATOM 0 HE2 LYS A1958 -5.376 2.640 -7.216 1.00 0.00 H new ATOM 0 HE3 LYS A1958 -4.899 4.188 -6.546 1.00 0.00 H new ATOM 0 HZ1 LYS A1958 -5.679 4.426 -8.792 1.00 0.00 H new ATOM 0 HZ2 LYS A1958 -4.028 4.816 -8.715 1.00 0.00 H new ATOM 0 HZ3 LYS A1958 -4.519 3.323 -9.358 1.00 0.00 H new ATOM 352 N GLN A1959 -4.755 3.489 -2.295 1.00 0.00 N ATOM 353 CA GLN A1959 -4.705 4.726 -1.531 1.00 0.00 C ATOM 354 C GLN A1959 -4.205 4.465 -0.104 1.00 0.00 C ATOM 355 O GLN A1959 -3.382 5.227 0.394 1.00 0.00 O ATOM 356 CB GLN A1959 -6.054 5.464 -1.550 1.00 0.00 C ATOM 357 CG GLN A1959 -7.259 4.704 -0.973 1.00 0.00 C ATOM 358 CD GLN A1959 -8.541 5.529 -0.959 1.00 0.00 C ATOM 359 OE1 GLN A1959 -9.520 5.214 -1.641 1.00 0.00 O ATOM 360 NE2 GLN A1959 -8.590 6.584 -0.169 1.00 0.00 N ATOM 0 H GLN A1959 -5.690 3.167 -2.546 1.00 0.00 H new ATOM 0 HA GLN A1959 -3.986 5.389 -2.013 1.00 0.00 H new ATOM 0 HB2 GLN A1959 -5.941 6.396 -0.996 1.00 0.00 H new ATOM 0 HB3 GLN A1959 -6.282 5.732 -2.582 1.00 0.00 H new ATOM 0 HG2 GLN A1959 -7.424 3.799 -1.558 1.00 0.00 H new ATOM 0 HG3 GLN A1959 -7.027 4.388 0.044 1.00 0.00 H new ATOM 0 HE21 GLN A1959 -7.777 6.839 0.392 1.00 0.00 H new ATOM 0 HE22 GLN A1959 -9.441 7.145 -0.119 1.00 0.00 H new ATOM 369 N VAL A1960 -4.661 3.387 0.550 1.00 0.00 N ATOM 370 CA VAL A1960 -4.239 3.067 1.908 1.00 0.00 C ATOM 371 C VAL A1960 -2.730 2.893 1.913 1.00 0.00 C ATOM 372 O VAL A1960 -2.047 3.486 2.740 1.00 0.00 O ATOM 373 CB VAL A1960 -4.953 1.805 2.427 1.00 0.00 C ATOM 374 CG1 VAL A1960 -4.278 1.295 3.707 1.00 0.00 C ATOM 375 CG2 VAL A1960 -6.434 2.070 2.704 1.00 0.00 C ATOM 0 H VAL A1960 -5.325 2.723 0.152 1.00 0.00 H new ATOM 0 HA VAL A1960 -4.512 3.880 2.581 1.00 0.00 H new ATOM 0 HB VAL A1960 -4.879 1.046 1.648 1.00 0.00 H new ATOM 0 HG11 VAL A1960 -4.795 0.403 4.060 1.00 0.00 H new ATOM 0 HG12 VAL A1960 -3.237 1.052 3.497 1.00 0.00 H new ATOM 0 HG13 VAL A1960 -4.322 2.068 4.474 1.00 0.00 H new ATOM 0 HG21 VAL A1960 -6.905 1.157 3.069 1.00 0.00 H new ATOM 0 HG22 VAL A1960 -6.529 2.853 3.456 1.00 0.00 H new ATOM 0 HG23 VAL A1960 -6.925 2.389 1.785 1.00 0.00 H new ATOM 385 N LEU A1961 -2.191 2.115 0.972 1.00 0.00 N ATOM 386 CA LEU A1961 -0.770 1.871 0.879 1.00 0.00 C ATOM 387 C LEU A1961 -0.002 3.185 0.927 1.00 0.00 C ATOM 388 O LEU A1961 0.989 3.269 1.647 1.00 0.00 O ATOM 389 CB LEU A1961 -0.415 1.194 -0.440 1.00 0.00 C ATOM 390 CG LEU A1961 -0.828 -0.255 -0.646 1.00 0.00 C ATOM 391 CD1 LEU A1961 -0.477 -0.613 -2.091 1.00 0.00 C ATOM 392 CD2 LEU A1961 -0.196 -1.179 0.394 1.00 0.00 C ATOM 0 H LEU A1961 -2.739 1.640 0.255 1.00 0.00 H new ATOM 0 HA LEU A1961 -0.501 1.230 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A1961 -0.857 1.782 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU A1961 0.667 1.251 -0.561 1.00 0.00 H new ATOM 0 HG LEU A1961 -1.899 -0.389 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A1961 -0.756 -1.648 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A1961 -1.019 0.044 -2.771 1.00 0.00 H new ATOM 0 HD13 LEU A1961 0.595 -0.491 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A1961 -0.516 -2.205 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A1961 0.890 -1.120 0.321 1.00 0.00 H new ATOM 0 HD23 LEU A1961 -0.510 -0.873 1.392 1.00 0.00 H new ATOM 404 N LYS A1962 -0.433 4.184 0.148 1.00 0.00 N ATOM 405 CA LYS A1962 0.211 5.482 0.099 1.00 0.00 C ATOM 406 C LYS A1962 0.301 6.067 1.499 1.00 0.00 C ATOM 407 O LYS A1962 1.384 6.459 1.923 1.00 0.00 O ATOM 408 CB LYS A1962 -0.581 6.410 -0.829 1.00 0.00 C ATOM 409 CG LYS A1962 0.291 7.585 -1.271 1.00 0.00 C ATOM 410 CD LYS A1962 -0.452 8.596 -2.141 1.00 0.00 C ATOM 411 CE LYS A1962 -0.888 8.030 -3.482 1.00 0.00 C ATOM 412 NZ LYS A1962 -2.347 7.786 -3.550 1.00 0.00 N ATOM 0 H LYS A1962 -1.244 4.104 -0.466 1.00 0.00 H new ATOM 0 HA LYS A1962 1.222 5.375 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A1962 -0.926 5.855 -1.702 1.00 0.00 H new ATOM 0 HB3 LYS A1962 -1.468 6.779 -0.315 1.00 0.00 H new ATOM 0 HG2 LYS A1962 0.679 8.092 -0.388 1.00 0.00 H new ATOM 0 HG3 LYS A1962 1.150 7.203 -1.823 1.00 0.00 H new ATOM 0 HD2 LYS A1962 -1.330 8.952 -1.602 1.00 0.00 H new ATOM 0 HD3 LYS A1962 0.190 9.460 -2.311 1.00 0.00 H new ATOM 0 HE2 LYS A1962 -0.602 8.722 -4.274 1.00 0.00 H new ATOM 0 HE3 LYS A1962 -0.358 7.096 -3.667 1.00 0.00 H new ATOM 0 HZ1 LYS A1962 -2.556 7.149 -4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A1962 -2.668 7.349 -2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A1962 -2.844 8.689 -3.690 1.00 0.00 H new ATOM 426 N GLN A1963 -0.823 6.095 2.205 1.00 0.00 N ATOM 427 CA GLN A1963 -0.928 6.636 3.547 1.00 0.00 C ATOM 428 C GLN A1963 -0.050 5.879 4.551 1.00 0.00 C ATOM 429 O GLN A1963 0.589 6.494 5.398 1.00 0.00 O ATOM 430 CB GLN A1963 -2.430 6.690 3.940 1.00 0.00 C ATOM 431 CG GLN A1963 -2.873 5.742 5.059 1.00 0.00 C ATOM 432 CD GLN A1963 -4.355 5.866 5.380 1.00 0.00 C ATOM 433 OE1 GLN A1963 -5.212 5.368 4.652 1.00 0.00 O ATOM 434 NE2 GLN A1963 -4.690 6.490 6.495 1.00 0.00 N ATOM 0 H GLN A1963 -1.707 5.732 1.848 1.00 0.00 H new ATOM 0 HA GLN A1963 -0.535 7.652 3.568 1.00 0.00 H new ATOM 0 HB2 GLN A1963 -2.668 7.710 4.241 1.00 0.00 H new ATOM 0 HB3 GLN A1963 -3.024 6.473 3.052 1.00 0.00 H new ATOM 0 HG2 GLN A1963 -2.653 4.715 4.768 1.00 0.00 H new ATOM 0 HG3 GLN A1963 -2.292 5.950 5.957 1.00 0.00 H new ATOM 0 HE21 GLN A1963 -3.967 6.898 7.088 1.00 0.00 H new ATOM 0 HE22 GLN A1963 -5.671 6.564 6.763 1.00 0.00 H new ATOM 443 N GLN A1964 0.027 4.550 4.447 1.00 0.00 N ATOM 444 CA GLN A1964 0.786 3.726 5.382 1.00 0.00 C ATOM 445 C GLN A1964 2.282 3.914 5.183 1.00 0.00 C ATOM 446 O GLN A1964 3.068 3.805 6.126 1.00 0.00 O ATOM 447 CB GLN A1964 0.332 2.253 5.277 1.00 0.00 C ATOM 448 CG GLN A1964 -1.201 2.141 5.441 1.00 0.00 C ATOM 449 CD GLN A1964 -1.754 1.102 6.403 1.00 0.00 C ATOM 450 OE1 GLN A1964 -2.668 1.375 7.171 1.00 0.00 O ATOM 451 NE2 GLN A1964 -1.340 -0.145 6.280 1.00 0.00 N ATOM 0 H GLN A1964 -0.436 4.018 3.711 1.00 0.00 H new ATOM 0 HA GLN A1964 0.580 4.048 6.403 1.00 0.00 H new ATOM 0 HB2 GLN A1964 0.630 1.843 4.312 1.00 0.00 H new ATOM 0 HB3 GLN A1964 0.829 1.658 6.043 1.00 0.00 H new ATOM 0 HG2 GLN A1964 -1.573 3.116 5.757 1.00 0.00 H new ATOM 0 HG3 GLN A1964 -1.626 1.941 4.457 1.00 0.00 H new ATOM 0 HE21 GLN A1964 -0.578 -0.369 5.639 1.00 0.00 H new ATOM 0 HE22 GLN A1964 -1.782 -0.885 6.826 1.00 0.00 H new ATOM 460 N LEU A1965 2.684 4.158 3.936 1.00 0.00 N ATOM 461 CA LEU A1965 4.077 4.375 3.577 1.00 0.00 C ATOM 462 C LEU A1965 4.487 5.825 3.845 1.00 0.00 C ATOM 463 O LEU A1965 5.636 6.063 4.191 1.00 0.00 O ATOM 464 CB LEU A1965 4.323 3.888 2.136 1.00 0.00 C ATOM 465 CG LEU A1965 4.735 4.966 1.128 1.00 0.00 C ATOM 466 CD1 LEU A1965 6.254 5.154 1.117 1.00 0.00 C ATOM 467 CD2 LEU A1965 4.261 4.585 -0.260 1.00 0.00 C ATOM 0 H LEU A1965 2.044 4.210 3.144 1.00 0.00 H new ATOM 0 HA LEU A1965 4.732 3.779 4.212 1.00 0.00 H new ATOM 0 HB2 LEU A1965 5.099 3.123 2.159 1.00 0.00 H new ATOM 0 HB3 LEU A1965 3.413 3.408 1.775 1.00 0.00 H new ATOM 0 HG LEU A1965 4.271 5.906 1.428 1.00 0.00 H new ATOM 0 HD11 LEU A1965 6.520 5.924 0.393 1.00 0.00 H new ATOM 0 HD12 LEU A1965 6.590 5.456 2.109 1.00 0.00 H new ATOM 0 HD13 LEU A1965 6.735 4.215 0.841 1.00 0.00 H new ATOM 0 HD21 LEU A1965 4.558 5.357 -0.970 1.00 0.00 H new ATOM 0 HD22 LEU A1965 4.708 3.634 -0.549 1.00 0.00 H new ATOM 0 HD23 LEU A1965 3.175 4.490 -0.260 1.00 0.00 H new ATOM 479 N ALA A1966 3.561 6.780 3.737 1.00 0.00 N ATOM 480 CA ALA A1966 3.844 8.185 3.964 1.00 0.00 C ATOM 481 C ALA A1966 4.430 8.368 5.356 1.00 0.00 C ATOM 482 O ALA A1966 5.520 8.911 5.517 1.00 0.00 O ATOM 483 CB ALA A1966 2.563 9.005 3.803 1.00 0.00 C ATOM 0 H ALA A1966 2.590 6.592 3.488 1.00 0.00 H new ATOM 0 HA ALA A1966 4.571 8.535 3.231 1.00 0.00 H new ATOM 0 HB1 ALA A1966 2.782 10.059 3.975 1.00 0.00 H new ATOM 0 HB2 ALA A1966 2.172 8.875 2.794 1.00 0.00 H new ATOM 0 HB3 ALA A1966 1.821 8.666 4.526 1.00 0.00 H new ATOM 489 N GLU A1967 3.741 7.832 6.359 1.00 0.00 N ATOM 490 CA GLU A1967 4.175 7.934 7.745 1.00 0.00 C ATOM 491 C GLU A1967 5.461 7.137 7.956 1.00 0.00 C ATOM 492 O GLU A1967 6.249 7.445 8.847 1.00 0.00 O ATOM 493 CB GLU A1967 3.050 7.490 8.681 1.00 0.00 C ATOM 494 CG GLU A1967 1.746 8.197 8.311 1.00 0.00 C ATOM 495 CD GLU A1967 0.776 8.293 9.488 1.00 0.00 C ATOM 496 OE1 GLU A1967 0.974 9.130 10.398 1.00 0.00 O ATOM 497 OE2 GLU A1967 -0.170 7.471 9.562 1.00 0.00 O ATOM 0 H GLU A1967 2.870 7.317 6.233 1.00 0.00 H new ATOM 0 HA GLU A1967 4.401 8.973 7.983 1.00 0.00 H new ATOM 0 HB2 GLU A1967 2.918 6.410 8.616 1.00 0.00 H new ATOM 0 HB3 GLU A1967 3.315 7.717 9.714 1.00 0.00 H new ATOM 0 HG2 GLU A1967 1.971 9.200 7.947 1.00 0.00 H new ATOM 0 HG3 GLU A1967 1.266 7.661 7.492 1.00 0.00 H new ATOM 504 N ALA A1968 5.654 6.081 7.161 1.00 0.00 N ATOM 505 CA ALA A1968 6.847 5.237 7.213 1.00 0.00 C ATOM 506 C ALA A1968 8.079 6.006 6.725 1.00 0.00 C ATOM 507 O ALA A1968 9.196 5.643 7.086 1.00 0.00 O ATOM 508 CB ALA A1968 6.676 3.978 6.358 1.00 0.00 C ATOM 0 H ALA A1968 4.978 5.786 6.456 1.00 0.00 H new ATOM 0 HA ALA A1968 6.988 4.944 8.253 1.00 0.00 H new ATOM 0 HB1 ALA A1968 7.580 3.372 6.418 1.00 0.00 H new ATOM 0 HB2 ALA A1968 5.827 3.401 6.726 1.00 0.00 H new ATOM 0 HB3 ALA A1968 6.499 4.264 5.321 1.00 0.00 H new ATOM 514 N LEU A1969 7.884 7.042 5.902 1.00 0.00 N ATOM 515 CA LEU A1969 8.943 7.885 5.362 1.00 0.00 C ATOM 516 C LEU A1969 8.928 9.273 6.015 1.00 0.00 C ATOM 517 O LEU A1969 9.702 10.137 5.600 1.00 0.00 O ATOM 518 CB LEU A1969 8.825 8.024 3.829 1.00 0.00 C ATOM 519 CG LEU A1969 9.032 6.747 2.996 1.00 0.00 C ATOM 520 CD1 LEU A1969 9.209 7.132 1.529 1.00 0.00 C ATOM 521 CD2 LEU A1969 10.261 5.943 3.424 1.00 0.00 C ATOM 0 H LEU A1969 6.955 7.321 5.587 1.00 0.00 H new ATOM 0 HA LEU A1969 9.891 7.399 5.592 1.00 0.00 H new ATOM 0 HB2 LEU A1969 7.837 8.422 3.600 1.00 0.00 H new ATOM 0 HB3 LEU A1969 9.552 8.766 3.499 1.00 0.00 H new ATOM 0 HG LEU A1969 8.152 6.123 3.152 1.00 0.00 H new ATOM 0 HD11 LEU A1969 9.356 6.232 0.932 1.00 0.00 H new ATOM 0 HD12 LEU A1969 8.320 7.657 1.181 1.00 0.00 H new ATOM 0 HD13 LEU A1969 10.078 7.782 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A1969 10.351 5.055 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A1969 11.154 6.557 3.313 1.00 0.00 H new ATOM 0 HD23 LEU A1969 10.154 5.643 4.466 1.00 0.00 H new ATOM 533 N TYR A1970 8.079 9.483 7.027 1.00 0.00 N ATOM 534 CA TYR A1970 7.904 10.734 7.755 1.00 0.00 C ATOM 535 C TYR A1970 7.482 11.869 6.803 1.00 0.00 C ATOM 536 O TYR A1970 8.003 12.984 6.867 1.00 0.00 O ATOM 537 CB TYR A1970 9.147 11.068 8.597 1.00 0.00 C ATOM 538 CG TYR A1970 9.693 9.941 9.457 1.00 0.00 C ATOM 539 CD1 TYR A1970 8.969 9.485 10.575 1.00 0.00 C ATOM 540 CD2 TYR A1970 10.956 9.387 9.171 1.00 0.00 C ATOM 541 CE1 TYR A1970 9.513 8.497 11.416 1.00 0.00 C ATOM 542 CE2 TYR A1970 11.505 8.398 10.006 1.00 0.00 C ATOM 543 CZ TYR A1970 10.787 7.951 11.137 1.00 0.00 C ATOM 544 OH TYR A1970 11.348 7.034 11.969 1.00 0.00 O ATOM 0 H TYR A1970 7.467 8.745 7.374 1.00 0.00 H new ATOM 0 HA TYR A1970 7.087 10.614 8.467 1.00 0.00 H new ATOM 0 HB2 TYR A1970 9.938 11.401 7.925 1.00 0.00 H new ATOM 0 HB3 TYR A1970 8.906 11.909 9.246 1.00 0.00 H new ATOM 0 HD1 TYR A1970 7.993 9.895 10.788 1.00 0.00 H new ATOM 0 HD2 TYR A1970 11.506 9.724 8.305 1.00 0.00 H new ATOM 0 HE1 TYR A1970 8.957 8.155 12.276 1.00 0.00 H new ATOM 0 HE2 TYR A1970 12.476 7.980 9.783 1.00 0.00 H new ATOM 0 HH TYR A1970 12.224 6.768 11.620 1.00 0.00 H new ATOM 554 N THR A1971 6.554 11.583 5.889 1.00 0.00 N ATOM 555 CA THR A1971 6.030 12.514 4.895 1.00 0.00 C ATOM 556 C THR A1971 4.507 12.374 4.836 1.00 0.00 C ATOM 557 O THR A1971 3.885 11.784 5.725 1.00 0.00 O ATOM 558 CB THR A1971 6.736 12.253 3.548 1.00 0.00 C ATOM 559 OG1 THR A1971 6.566 13.351 2.682 1.00 0.00 O ATOM 560 CG2 THR A1971 6.237 10.998 2.818 1.00 0.00 C ATOM 0 H THR A1971 6.131 10.657 5.820 1.00 0.00 H new ATOM 0 HA THR A1971 6.236 13.551 5.161 1.00 0.00 H new ATOM 0 HB THR A1971 7.785 12.101 3.800 1.00 0.00 H new ATOM 0 HG1 THR A1971 7.021 13.171 1.833 1.00 0.00 H new ATOM 0 HG21 THR A1971 6.781 10.882 1.880 1.00 0.00 H new ATOM 0 HG22 THR A1971 6.404 10.122 3.445 1.00 0.00 H new ATOM 0 HG23 THR A1971 5.172 11.098 2.610 1.00 0.00 H new ATOM 568 N GLU A1972 3.874 12.975 3.831 1.00 0.00 N ATOM 569 CA GLU A1972 2.443 12.911 3.626 1.00 0.00 C ATOM 570 C GLU A1972 2.134 12.258 2.283 1.00 0.00 C ATOM 571 O GLU A1972 2.811 12.481 1.280 1.00 0.00 O ATOM 572 CB GLU A1972 1.790 14.290 3.771 1.00 0.00 C ATOM 573 CG GLU A1972 2.037 15.263 2.606 1.00 0.00 C ATOM 574 CD GLU A1972 1.119 16.489 2.620 1.00 0.00 C ATOM 575 OE1 GLU A1972 -0.010 16.417 3.167 1.00 0.00 O ATOM 576 OE2 GLU A1972 1.454 17.473 1.920 1.00 0.00 O ATOM 0 H GLU A1972 4.359 13.530 3.126 1.00 0.00 H new ATOM 0 HA GLU A1972 2.007 12.287 4.406 1.00 0.00 H new ATOM 0 HB2 GLU A1972 0.715 14.154 3.886 1.00 0.00 H new ATOM 0 HB3 GLU A1972 2.153 14.750 4.690 1.00 0.00 H new ATOM 0 HG2 GLU A1972 3.074 15.597 2.637 1.00 0.00 H new ATOM 0 HG3 GLU A1972 1.902 14.730 1.665 1.00 0.00 H new ATOM 583 N GLU A1973 1.068 11.466 2.246 1.00 0.00 N ATOM 584 CA GLU A1973 0.615 10.794 1.032 1.00 0.00 C ATOM 585 C GLU A1973 0.172 11.809 -0.020 1.00 0.00 C ATOM 586 O GLU A1973 0.093 11.483 -1.203 1.00 0.00 O ATOM 587 CB GLU A1973 -0.519 9.811 1.358 1.00 0.00 C ATOM 588 CG GLU A1973 -1.563 10.309 2.367 1.00 0.00 C ATOM 589 CD GLU A1973 -2.998 9.998 1.952 1.00 0.00 C ATOM 590 OE1 GLU A1973 -3.299 8.892 1.455 1.00 0.00 O ATOM 591 OE2 GLU A1973 -3.841 10.914 2.115 1.00 0.00 O ATOM 0 H GLU A1973 0.489 11.270 3.063 1.00 0.00 H new ATOM 0 HA GLU A1973 1.451 10.230 0.618 1.00 0.00 H new ATOM 0 HB2 GLU A1973 -1.031 9.555 0.430 1.00 0.00 H new ATOM 0 HB3 GLU A1973 -0.078 8.892 1.743 1.00 0.00 H new ATOM 0 HG2 GLU A1973 -1.366 9.854 3.338 1.00 0.00 H new ATOM 0 HG3 GLU A1973 -1.453 11.386 2.491 1.00 0.00 H new ATOM 598 N SER A1974 -0.128 13.039 0.385 1.00 0.00 N ATOM 599 CA SER A1974 -0.553 14.073 -0.545 1.00 0.00 C ATOM 600 C SER A1974 0.585 14.450 -1.506 1.00 0.00 C ATOM 601 O SER A1974 0.321 15.056 -2.545 1.00 0.00 O ATOM 602 CB SER A1974 -1.137 15.262 0.223 1.00 0.00 C ATOM 603 OG SER A1974 -2.090 15.972 -0.544 1.00 0.00 O ATOM 0 H SER A1974 -0.083 13.343 1.358 1.00 0.00 H new ATOM 0 HA SER A1974 -1.354 13.691 -1.179 1.00 0.00 H new ATOM 0 HB2 SER A1974 -1.603 14.906 1.142 1.00 0.00 H new ATOM 0 HB3 SER A1974 -0.332 15.936 0.515 1.00 0.00 H new ATOM 0 HG SER A1974 -2.440 16.722 -0.019 1.00 0.00 H new ATOM 609 N GLU A1975 1.829 14.038 -1.234 1.00 0.00 N ATOM 610 CA GLU A1975 2.985 14.325 -2.074 1.00 0.00 C ATOM 611 C GLU A1975 3.587 13.061 -2.718 1.00 0.00 C ATOM 612 O GLU A1975 4.618 13.158 -3.390 1.00 0.00 O ATOM 613 CB GLU A1975 3.997 15.149 -1.262 1.00 0.00 C ATOM 614 CG GLU A1975 4.874 14.371 -0.262 1.00 0.00 C ATOM 615 CD GLU A1975 6.316 14.890 -0.313 1.00 0.00 C ATOM 616 OE1 GLU A1975 6.536 16.104 -0.084 1.00 0.00 O ATOM 617 OE2 GLU A1975 7.239 14.122 -0.664 1.00 0.00 O ATOM 0 H GLU A1975 2.059 13.486 -0.407 1.00 0.00 H new ATOM 0 HA GLU A1975 2.667 14.923 -2.928 1.00 0.00 H new ATOM 0 HB2 GLU A1975 4.654 15.667 -1.961 1.00 0.00 H new ATOM 0 HB3 GLU A1975 3.450 15.915 -0.712 1.00 0.00 H new ATOM 0 HG2 GLU A1975 4.475 14.481 0.746 1.00 0.00 H new ATOM 0 HG3 GLU A1975 4.853 13.307 -0.499 1.00 0.00 H new ATOM 624 N ILE A1976 2.968 11.886 -2.532 1.00 0.00 N ATOM 625 CA ILE A1976 3.449 10.614 -3.071 1.00 0.00 C ATOM 626 C ILE A1976 2.682 10.277 -4.348 1.00 0.00 C ATOM 627 O ILE A1976 1.469 10.502 -4.447 1.00 0.00 O ATOM 628 CB ILE A1976 3.296 9.503 -2.001 1.00 0.00 C ATOM 629 CG1 ILE A1976 4.131 9.832 -0.752 1.00 0.00 C ATOM 630 CG2 ILE A1976 3.635 8.093 -2.527 1.00 0.00 C ATOM 631 CD1 ILE A1976 3.912 8.865 0.415 1.00 0.00 C ATOM 0 H ILE A1976 2.106 11.796 -1.994 1.00 0.00 H new ATOM 0 HA ILE A1976 4.506 10.691 -3.324 1.00 0.00 H new ATOM 0 HB ILE A1976 2.240 9.483 -1.732 1.00 0.00 H new ATOM 0 HG12 ILE A1976 5.187 9.827 -1.022 1.00 0.00 H new ATOM 0 HG13 ILE A1976 3.891 10.843 -0.423 1.00 0.00 H new ATOM 0 HG21 ILE A1976 3.506 7.365 -1.726 1.00 0.00 H new ATOM 0 HG22 ILE A1976 2.970 7.844 -3.354 1.00 0.00 H new ATOM 0 HG23 ILE A1976 4.668 8.073 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE A1976 4.536 9.164 1.257 1.00 0.00 H new ATOM 0 HD12 ILE A1976 2.864 8.887 0.714 1.00 0.00 H new ATOM 0 HD13 ILE A1976 4.180 7.855 0.106 1.00 0.00 H new ATOM 643 N ALA A1977 3.390 9.698 -5.317 1.00 0.00 N ATOM 644 CA ALA A1977 2.860 9.273 -6.596 1.00 0.00 C ATOM 645 C ALA A1977 2.613 7.770 -6.549 1.00 0.00 C ATOM 646 O ALA A1977 3.224 7.039 -5.769 1.00 0.00 O ATOM 647 CB ALA A1977 3.817 9.657 -7.721 1.00 0.00 C ATOM 0 H ALA A1977 4.388 9.508 -5.221 1.00 0.00 H new ATOM 0 HA ALA A1977 1.914 9.775 -6.797 1.00 0.00 H new ATOM 0 HB1 ALA A1977 3.405 9.331 -8.676 1.00 0.00 H new ATOM 0 HB2 ALA A1977 3.949 10.739 -7.733 1.00 0.00 H new ATOM 0 HB3 ALA A1977 4.781 9.176 -7.559 1.00 0.00 H new ATOM 653 N GLU A1978 1.722 7.295 -7.415 1.00 0.00 N ATOM 654 CA GLU A1978 1.359 5.882 -7.468 1.00 0.00 C ATOM 655 C GLU A1978 2.301 5.058 -8.347 1.00 0.00 C ATOM 656 O GLU A1978 2.404 3.842 -8.170 1.00 0.00 O ATOM 657 CB GLU A1978 -0.135 5.750 -7.825 1.00 0.00 C ATOM 658 CG GLU A1978 -0.984 6.615 -6.878 1.00 0.00 C ATOM 659 CD GLU A1978 -2.475 6.294 -6.880 1.00 0.00 C ATOM 660 OE1 GLU A1978 -3.080 6.123 -7.963 1.00 0.00 O ATOM 661 OE2 GLU A1978 -3.035 6.186 -5.763 1.00 0.00 O ATOM 0 H GLU A1978 1.233 7.875 -8.097 1.00 0.00 H new ATOM 0 HA GLU A1978 1.493 5.441 -6.480 1.00 0.00 H new ATOM 0 HB2 GLU A1978 -0.299 6.059 -8.857 1.00 0.00 H new ATOM 0 HB3 GLU A1978 -0.443 4.707 -7.752 1.00 0.00 H new ATOM 0 HG2 GLU A1978 -0.603 6.498 -5.863 1.00 0.00 H new ATOM 0 HG3 GLU A1978 -0.852 7.662 -7.150 1.00 0.00 H new ATOM 668 N ASP A1979 3.029 5.728 -9.238 1.00 0.00 N ATOM 669 CA ASP A1979 3.994 5.219 -10.203 1.00 0.00 C ATOM 670 C ASP A1979 5.436 5.592 -9.851 1.00 0.00 C ATOM 671 O ASP A1979 6.337 5.330 -10.653 1.00 0.00 O ATOM 672 CB ASP A1979 3.633 5.727 -11.611 1.00 0.00 C ATOM 673 CG ASP A1979 3.671 7.248 -11.800 1.00 0.00 C ATOM 674 OD1 ASP A1979 4.006 7.992 -10.854 1.00 0.00 O ATOM 675 OD2 ASP A1979 3.267 7.683 -12.902 1.00 0.00 O ATOM 0 H ASP A1979 2.947 6.742 -9.306 1.00 0.00 H new ATOM 0 HA ASP A1979 3.941 4.131 -10.177 1.00 0.00 H new ATOM 0 HB2 ASP A1979 4.318 5.273 -12.327 1.00 0.00 H new ATOM 0 HB3 ASP A1979 2.632 5.374 -11.859 1.00 0.00 H new ATOM 680 N GLN A1980 5.676 6.222 -8.699 1.00 0.00 N ATOM 681 CA GLN A1980 7.019 6.601 -8.251 1.00 0.00 C ATOM 682 C GLN A1980 7.488 5.513 -7.297 1.00 0.00 C ATOM 683 O GLN A1980 6.676 4.886 -6.611 1.00 0.00 O ATOM 684 CB GLN A1980 7.038 8.007 -7.634 1.00 0.00 C ATOM 685 CG GLN A1980 8.450 8.469 -7.234 1.00 0.00 C ATOM 686 CD GLN A1980 8.542 9.948 -6.849 1.00 0.00 C ATOM 687 OE1 GLN A1980 7.583 10.712 -6.919 1.00 0.00 O ATOM 688 NE2 GLN A1980 9.719 10.378 -6.417 1.00 0.00 N ATOM 0 H GLN A1980 4.939 6.486 -8.045 1.00 0.00 H new ATOM 0 HA GLN A1980 7.711 6.669 -9.091 1.00 0.00 H new ATOM 0 HB2 GLN A1980 6.618 8.716 -8.347 1.00 0.00 H new ATOM 0 HB3 GLN A1980 6.394 8.020 -6.754 1.00 0.00 H new ATOM 0 HG2 GLN A1980 8.793 7.865 -6.394 1.00 0.00 H new ATOM 0 HG3 GLN A1980 9.131 8.278 -8.063 1.00 0.00 H new ATOM 0 HE21 GLN A1980 10.509 9.735 -6.363 1.00 0.00 H new ATOM 0 HE22 GLN A1980 9.835 11.352 -6.139 1.00 0.00 H new ATOM 697 N LYS A1981 8.795 5.249 -7.288 1.00 0.00 N ATOM 698 CA LYS A1981 9.342 4.194 -6.456 1.00 0.00 C ATOM 699 C LYS A1981 9.495 4.652 -5.020 1.00 0.00 C ATOM 700 O LYS A1981 9.970 5.759 -4.785 1.00 0.00 O ATOM 701 CB LYS A1981 10.668 3.681 -7.026 1.00 0.00 C ATOM 702 CG LYS A1981 10.485 3.372 -8.515 1.00 0.00 C ATOM 703 CD LYS A1981 11.393 2.263 -9.038 1.00 0.00 C ATOM 704 CE LYS A1981 10.706 1.737 -10.297 1.00 0.00 C ATOM 705 NZ LYS A1981 10.925 2.610 -11.468 1.00 0.00 N ATOM 0 H LYS A1981 9.485 5.751 -7.846 1.00 0.00 H new ATOM 0 HA LYS A1981 8.637 3.363 -6.459 1.00 0.00 H new ATOM 0 HB2 LYS A1981 11.450 4.428 -6.890 1.00 0.00 H new ATOM 0 HB3 LYS A1981 10.986 2.786 -6.492 1.00 0.00 H new ATOM 0 HG2 LYS A1981 9.447 3.090 -8.692 1.00 0.00 H new ATOM 0 HG3 LYS A1981 10.671 4.280 -9.089 1.00 0.00 H new ATOM 0 HD2 LYS A1981 12.389 2.644 -9.264 1.00 0.00 H new ATOM 0 HD3 LYS A1981 11.515 1.473 -8.297 1.00 0.00 H new ATOM 0 HE2 LYS A1981 11.078 0.737 -10.519 1.00 0.00 H new ATOM 0 HE3 LYS A1981 9.636 1.645 -10.112 1.00 0.00 H new ATOM 0 HZ1 LYS A1981 10.439 2.209 -12.295 1.00 0.00 H new ATOM 0 HZ2 LYS A1981 10.547 3.558 -11.270 1.00 0.00 H new ATOM 0 HZ3 LYS A1981 11.944 2.678 -11.665 1.00 0.00 H new ATOM 719 N PHE A1982 9.187 3.786 -4.057 1.00 0.00 N ATOM 720 CA PHE A1982 9.327 4.106 -2.637 1.00 0.00 C ATOM 721 C PHE A1982 10.787 4.453 -2.357 1.00 0.00 C ATOM 722 O PHE A1982 11.076 5.387 -1.615 1.00 0.00 O ATOM 723 CB PHE A1982 8.854 2.949 -1.766 1.00 0.00 C ATOM 724 CG PHE A1982 7.548 2.358 -2.199 1.00 0.00 C ATOM 725 CD1 PHE A1982 6.441 3.200 -2.336 1.00 0.00 C ATOM 726 CD2 PHE A1982 7.436 0.986 -2.459 1.00 0.00 C ATOM 727 CE1 PHE A1982 5.226 2.667 -2.779 1.00 0.00 C ATOM 728 CE2 PHE A1982 6.207 0.448 -2.857 1.00 0.00 C ATOM 729 CZ PHE A1982 5.095 1.289 -3.020 1.00 0.00 C ATOM 0 H PHE A1982 8.835 2.846 -4.237 1.00 0.00 H new ATOM 0 HA PHE A1982 8.699 4.963 -2.391 1.00 0.00 H new ATOM 0 HB2 PHE A1982 9.615 2.168 -1.772 1.00 0.00 H new ATOM 0 HB3 PHE A1982 8.761 3.296 -0.737 1.00 0.00 H new ATOM 0 HD1 PHE A1982 6.523 4.251 -2.102 1.00 0.00 H new ATOM 0 HD2 PHE A1982 8.298 0.344 -2.352 1.00 0.00 H new ATOM 0 HE1 PHE A1982 4.381 3.321 -2.937 1.00 0.00 H new ATOM 0 HE2 PHE A1982 6.114 -0.613 -3.038 1.00 0.00 H new ATOM 0 HZ PHE A1982 4.145 0.879 -3.329 1.00 0.00 H new ATOM 739 N VAL A1983 11.719 3.723 -2.977 1.00 0.00 N ATOM 740 CA VAL A1983 13.148 3.949 -2.807 1.00 0.00 C ATOM 741 C VAL A1983 13.548 5.374 -3.226 1.00 0.00 C ATOM 742 O VAL A1983 14.463 5.937 -2.622 1.00 0.00 O ATOM 743 CB VAL A1983 13.968 2.880 -3.558 1.00 0.00 C ATOM 744 CG1 VAL A1983 13.726 1.480 -2.982 1.00 0.00 C ATOM 745 CG2 VAL A1983 13.631 2.798 -5.055 1.00 0.00 C ATOM 0 H VAL A1983 11.497 2.957 -3.613 1.00 0.00 H new ATOM 0 HA VAL A1983 13.377 3.854 -1.746 1.00 0.00 H new ATOM 0 HB VAL A1983 15.005 3.192 -3.431 1.00 0.00 H new ATOM 0 HG11 VAL A1983 14.319 0.752 -3.535 1.00 0.00 H new ATOM 0 HG12 VAL A1983 14.017 1.463 -1.932 1.00 0.00 H new ATOM 0 HG13 VAL A1983 12.669 1.228 -3.069 1.00 0.00 H new ATOM 0 HG21 VAL A1983 14.243 2.027 -5.524 1.00 0.00 H new ATOM 0 HG22 VAL A1983 12.577 2.549 -5.178 1.00 0.00 H new ATOM 0 HG23 VAL A1983 13.834 3.759 -5.527 1.00 0.00 H new ATOM 755 N ASP A1984 12.845 5.964 -4.208 1.00 0.00 N ATOM 756 CA ASP A1984 13.097 7.316 -4.714 1.00 0.00 C ATOM 757 C ASP A1984 12.694 8.348 -3.663 1.00 0.00 C ATOM 758 O ASP A1984 13.246 9.448 -3.604 1.00 0.00 O ATOM 759 CB ASP A1984 12.310 7.640 -6.010 1.00 0.00 C ATOM 760 CG ASP A1984 12.482 6.728 -7.230 1.00 0.00 C ATOM 761 OD1 ASP A1984 13.530 6.056 -7.364 1.00 0.00 O ATOM 762 OD2 ASP A1984 11.536 6.673 -8.059 1.00 0.00 O ATOM 0 H ASP A1984 12.069 5.500 -4.680 1.00 0.00 H new ATOM 0 HA ASP A1984 14.163 7.359 -4.937 1.00 0.00 H new ATOM 0 HB2 ASP A1984 11.250 7.655 -5.757 1.00 0.00 H new ATOM 0 HB3 ASP A1984 12.579 8.651 -6.314 1.00 0.00 H new ATOM 767 N LEU A1985 11.690 8.012 -2.851 1.00 0.00 N ATOM 768 CA LEU A1985 11.190 8.870 -1.788 1.00 0.00 C ATOM 769 C LEU A1985 12.096 8.729 -0.561 1.00 0.00 C ATOM 770 O LEU A1985 12.340 9.715 0.132 1.00 0.00 O ATOM 771 CB LEU A1985 9.737 8.491 -1.450 1.00 0.00 C ATOM 772 CG LEU A1985 8.759 8.444 -2.638 1.00 0.00 C ATOM 773 CD1 LEU A1985 7.356 8.047 -2.187 1.00 0.00 C ATOM 774 CD2 LEU A1985 8.687 9.767 -3.394 1.00 0.00 C ATOM 0 H LEU A1985 11.197 7.121 -2.919 1.00 0.00 H new ATOM 0 HA LEU A1985 11.200 9.910 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A1985 9.740 7.513 -0.968 1.00 0.00 H new ATOM 0 HB3 LEU A1985 9.357 9.205 -0.720 1.00 0.00 H new ATOM 0 HG LEU A1985 9.152 7.687 -3.317 1.00 0.00 H new ATOM 0 HD11 LEU A1985 6.690 8.023 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A1985 7.388 7.060 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A1985 6.987 8.774 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A1985 7.983 9.676 -4.221 1.00 0.00 H new ATOM 0 HD22 LEU A1985 8.353 10.555 -2.718 1.00 0.00 H new ATOM 0 HD23 LEU A1985 9.674 10.017 -3.784 1.00 0.00 H new ATOM 786 N GLY A1986 12.652 7.536 -0.322 1.00 0.00 N ATOM 787 CA GLY A1986 13.542 7.250 0.801 1.00 0.00 C ATOM 788 C GLY A1986 13.298 5.895 1.467 1.00 0.00 C ATOM 789 O GLY A1986 13.636 5.725 2.635 1.00 0.00 O ATOM 0 H GLY A1986 12.490 6.726 -0.920 1.00 0.00 H new ATOM 0 HA2 GLY A1986 14.574 7.289 0.451 1.00 0.00 H new ATOM 0 HA3 GLY A1986 13.429 8.035 1.549 1.00 0.00 H new ATOM 793 N LEU A1987 12.659 4.943 0.786 1.00 0.00 N ATOM 794 CA LEU A1987 12.377 3.615 1.333 1.00 0.00 C ATOM 795 C LEU A1987 13.655 2.792 1.312 1.00 0.00 C ATOM 796 O LEU A1987 14.213 2.536 0.246 1.00 0.00 O ATOM 797 CB LEU A1987 11.260 2.975 0.504 1.00 0.00 C ATOM 798 CG LEU A1987 10.450 1.816 1.103 1.00 0.00 C ATOM 799 CD1 LEU A1987 11.294 0.652 1.580 1.00 0.00 C ATOM 800 CD2 LEU A1987 9.522 2.304 2.221 1.00 0.00 C ATOM 0 H LEU A1987 12.320 5.073 -0.167 1.00 0.00 H new ATOM 0 HA LEU A1987 12.039 3.673 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A1987 10.556 3.764 0.238 1.00 0.00 H new ATOM 0 HB3 LEU A1987 11.705 2.618 -0.425 1.00 0.00 H new ATOM 0 HG LEU A1987 9.847 1.433 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A1987 10.646 -0.124 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A1987 11.861 0.247 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A1987 11.982 0.994 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A1987 8.963 1.460 2.624 1.00 0.00 H new ATOM 0 HD22 LEU A1987 10.116 2.758 3.014 1.00 0.00 H new ATOM 0 HD23 LEU A1987 8.827 3.042 1.821 1.00 0.00 H new ATOM 812 N ASP A1988 14.091 2.347 2.482 1.00 0.00 N ATOM 813 CA ASP A1988 15.296 1.548 2.659 1.00 0.00 C ATOM 814 C ASP A1988 14.936 0.093 2.947 1.00 0.00 C ATOM 815 O ASP A1988 13.770 -0.298 3.024 1.00 0.00 O ATOM 816 CB ASP A1988 16.153 2.137 3.779 1.00 0.00 C ATOM 817 CG ASP A1988 17.124 3.191 3.259 1.00 0.00 C ATOM 818 OD1 ASP A1988 16.673 4.282 2.857 1.00 0.00 O ATOM 819 OD2 ASP A1988 18.348 2.934 3.286 1.00 0.00 O ATOM 0 H ASP A1988 13.604 2.537 3.358 1.00 0.00 H new ATOM 0 HA ASP A1988 15.876 1.570 1.736 1.00 0.00 H new ATOM 0 HB2 ASP A1988 15.506 2.581 4.535 1.00 0.00 H new ATOM 0 HB3 ASP A1988 16.712 1.338 4.267 1.00 0.00 H new ATOM 824 N SER A1989 15.954 -0.739 3.112 1.00 0.00 N ATOM 825 CA SER A1989 15.798 -2.158 3.403 1.00 0.00 C ATOM 826 C SER A1989 15.024 -2.359 4.706 1.00 0.00 C ATOM 827 O SER A1989 14.177 -3.242 4.799 1.00 0.00 O ATOM 828 CB SER A1989 17.199 -2.767 3.524 1.00 0.00 C ATOM 829 OG SER A1989 17.208 -4.165 3.723 1.00 0.00 O ATOM 0 H SER A1989 16.928 -0.443 3.046 1.00 0.00 H new ATOM 0 HA SER A1989 15.236 -2.644 2.605 1.00 0.00 H new ATOM 0 HB2 SER A1989 17.762 -2.537 2.620 1.00 0.00 H new ATOM 0 HB3 SER A1989 17.720 -2.290 4.354 1.00 0.00 H new ATOM 0 HG SER A1989 18.134 -4.480 3.789 1.00 0.00 H new ATOM 835 N ILE A1990 15.313 -1.526 5.705 1.00 0.00 N ATOM 836 CA ILE A1990 14.715 -1.588 7.022 1.00 0.00 C ATOM 837 C ILE A1990 13.231 -1.252 6.941 1.00 0.00 C ATOM 838 O ILE A1990 12.382 -2.075 7.283 1.00 0.00 O ATOM 839 CB ILE A1990 15.483 -0.674 8.001 1.00 0.00 C ATOM 840 CG1 ILE A1990 16.991 -1.011 8.042 1.00 0.00 C ATOM 841 CG2 ILE A1990 14.903 -0.855 9.415 1.00 0.00 C ATOM 842 CD1 ILE A1990 17.866 -0.320 6.986 1.00 0.00 C ATOM 0 H ILE A1990 15.991 -0.770 5.609 1.00 0.00 H new ATOM 0 HA ILE A1990 14.790 -2.603 7.412 1.00 0.00 H new ATOM 0 HB ILE A1990 15.371 0.354 7.656 1.00 0.00 H new ATOM 0 HG12 ILE A1990 17.374 -0.751 9.029 1.00 0.00 H new ATOM 0 HG13 ILE A1990 17.105 -2.089 7.930 1.00 0.00 H new ATOM 0 HG21 ILE A1990 15.440 -0.213 10.113 1.00 0.00 H new ATOM 0 HG22 ILE A1990 13.847 -0.585 9.412 1.00 0.00 H new ATOM 0 HG23 ILE A1990 15.011 -1.895 9.722 1.00 0.00 H new ATOM 0 HD11 ILE A1990 18.903 -0.632 7.112 1.00 0.00 H new ATOM 0 HD12 ILE A1990 17.522 -0.598 5.990 1.00 0.00 H new ATOM 0 HD13 ILE A1990 17.795 0.761 7.106 1.00 0.00 H new ATOM 854 N VAL A1991 12.940 -0.054 6.435 1.00 0.00 N ATOM 855 CA VAL A1991 11.595 0.480 6.277 1.00 0.00 C ATOM 856 C VAL A1991 10.729 -0.500 5.483 1.00 0.00 C ATOM 857 O VAL A1991 9.549 -0.672 5.781 1.00 0.00 O ATOM 858 CB VAL A1991 11.626 1.886 5.647 1.00 0.00 C ATOM 859 CG1 VAL A1991 10.237 2.538 5.756 1.00 0.00 C ATOM 860 CG2 VAL A1991 12.628 2.839 6.311 1.00 0.00 C ATOM 0 H VAL A1991 13.662 0.591 6.114 1.00 0.00 H new ATOM 0 HA VAL A1991 11.141 0.594 7.261 1.00 0.00 H new ATOM 0 HB VAL A1991 11.932 1.735 4.612 1.00 0.00 H new ATOM 0 HG11 VAL A1991 10.265 3.532 5.309 1.00 0.00 H new ATOM 0 HG12 VAL A1991 9.505 1.925 5.231 1.00 0.00 H new ATOM 0 HG13 VAL A1991 9.955 2.620 6.806 1.00 0.00 H new ATOM 0 HG21 VAL A1991 12.593 3.808 5.814 1.00 0.00 H new ATOM 0 HG22 VAL A1991 12.371 2.961 7.363 1.00 0.00 H new ATOM 0 HG23 VAL A1991 13.633 2.425 6.229 1.00 0.00 H new ATOM 870 N GLY A1992 11.299 -1.201 4.500 1.00 0.00 N ATOM 871 CA GLY A1992 10.534 -2.148 3.717 1.00 0.00 C ATOM 872 C GLY A1992 10.068 -3.346 4.545 1.00 0.00 C ATOM 873 O GLY A1992 8.972 -3.846 4.316 1.00 0.00 O ATOM 0 H GLY A1992 12.281 -1.125 4.236 1.00 0.00 H new ATOM 0 HA2 GLY A1992 9.666 -1.645 3.290 1.00 0.00 H new ATOM 0 HA3 GLY A1992 11.141 -2.500 2.883 1.00 0.00 H new ATOM 877 N VAL A1993 10.860 -3.827 5.502 1.00 0.00 N ATOM 878 CA VAL A1993 10.507 -4.973 6.344 1.00 0.00 C ATOM 879 C VAL A1993 9.406 -4.596 7.330 1.00 0.00 C ATOM 880 O VAL A1993 8.536 -5.409 7.638 1.00 0.00 O ATOM 881 CB VAL A1993 11.769 -5.451 7.098 1.00 0.00 C ATOM 882 CG1 VAL A1993 11.482 -6.612 8.060 1.00 0.00 C ATOM 883 CG2 VAL A1993 12.864 -5.946 6.154 1.00 0.00 C ATOM 0 H VAL A1993 11.774 -3.429 5.718 1.00 0.00 H new ATOM 0 HA VAL A1993 10.131 -5.781 5.716 1.00 0.00 H new ATOM 0 HB VAL A1993 12.097 -4.568 7.646 1.00 0.00 H new ATOM 0 HG11 VAL A1993 12.404 -6.906 8.561 1.00 0.00 H new ATOM 0 HG12 VAL A1993 10.750 -6.296 8.803 1.00 0.00 H new ATOM 0 HG13 VAL A1993 11.088 -7.460 7.500 1.00 0.00 H new ATOM 0 HG21 VAL A1993 13.727 -6.270 6.736 1.00 0.00 H new ATOM 0 HG22 VAL A1993 12.487 -6.784 5.567 1.00 0.00 H new ATOM 0 HG23 VAL A1993 13.160 -5.138 5.485 1.00 0.00 H new ATOM 893 N GLU A1994 9.448 -3.391 7.878 1.00 0.00 N ATOM 894 CA GLU A1994 8.396 -2.981 8.799 1.00 0.00 C ATOM 895 C GLU A1994 7.134 -2.644 8.001 1.00 0.00 C ATOM 896 O GLU A1994 6.052 -3.105 8.363 1.00 0.00 O ATOM 897 CB GLU A1994 8.845 -1.847 9.720 1.00 0.00 C ATOM 898 CG GLU A1994 9.458 -0.668 8.970 1.00 0.00 C ATOM 899 CD GLU A1994 10.046 0.366 9.928 1.00 0.00 C ATOM 900 OE1 GLU A1994 9.429 0.640 10.985 1.00 0.00 O ATOM 901 OE2 GLU A1994 11.154 0.869 9.661 1.00 0.00 O ATOM 0 H GLU A1994 10.176 -2.697 7.709 1.00 0.00 H new ATOM 0 HA GLU A1994 8.163 -3.809 9.469 1.00 0.00 H new ATOM 0 HB2 GLU A1994 7.989 -1.496 10.297 1.00 0.00 H new ATOM 0 HB3 GLU A1994 9.573 -2.234 10.433 1.00 0.00 H new ATOM 0 HG2 GLU A1994 10.238 -1.029 8.300 1.00 0.00 H new ATOM 0 HG3 GLU A1994 8.697 -0.197 8.348 1.00 0.00 H new ATOM 908 N TRP A1995 7.249 -1.930 6.871 1.00 0.00 N ATOM 909 CA TRP A1995 6.087 -1.565 6.076 1.00 0.00 C ATOM 910 C TRP A1995 5.445 -2.798 5.465 1.00 0.00 C ATOM 911 O TRP A1995 4.215 -2.894 5.405 1.00 0.00 O ATOM 912 CB TRP A1995 6.468 -0.561 4.995 1.00 0.00 C ATOM 913 CG TRP A1995 5.285 0.016 4.281 1.00 0.00 C ATOM 914 CD1 TRP A1995 4.305 0.764 4.835 1.00 0.00 C ATOM 915 CD2 TRP A1995 4.921 -0.131 2.881 1.00 0.00 C ATOM 916 NE1 TRP A1995 3.373 1.087 3.868 1.00 0.00 N ATOM 917 CE2 TRP A1995 3.721 0.588 2.634 1.00 0.00 C ATOM 918 CE3 TRP A1995 5.503 -0.794 1.789 1.00 0.00 C ATOM 919 CZ2 TRP A1995 3.161 0.692 1.352 1.00 0.00 C ATOM 920 CZ3 TRP A1995 4.968 -0.683 0.493 1.00 0.00 C ATOM 921 CH2 TRP A1995 3.809 0.082 0.265 1.00 0.00 C ATOM 0 H TRP A1995 8.137 -1.599 6.495 1.00 0.00 H new ATOM 0 HA TRP A1995 5.357 -1.094 6.735 1.00 0.00 H new ATOM 0 HB2 TRP A1995 7.042 0.248 5.446 1.00 0.00 H new ATOM 0 HB3 TRP A1995 7.120 -1.048 4.270 1.00 0.00 H new ATOM 0 HD1 TRP A1995 4.258 1.063 5.872 1.00 0.00 H new ATOM 0 HE1 TRP A1995 2.528 1.630 4.047 1.00 0.00 H new ATOM 0 HE3 TRP A1995 6.381 -1.403 1.948 1.00 0.00 H new ATOM 0 HZ2 TRP A1995 2.240 1.236 1.202 1.00 0.00 H new ATOM 0 HZ3 TRP A1995 5.449 -1.188 -0.332 1.00 0.00 H new ATOM 0 HH2 TRP A1995 3.421 0.199 -0.736 1.00 0.00 H new ATOM 932 N THR A1996 6.259 -3.767 5.021 1.00 0.00 N ATOM 933 CA THR A1996 5.667 -4.976 4.457 1.00 0.00 C ATOM 934 C THR A1996 4.837 -5.669 5.545 1.00 0.00 C ATOM 935 O THR A1996 3.845 -6.327 5.228 1.00 0.00 O ATOM 936 CB THR A1996 6.671 -5.918 3.787 1.00 0.00 C ATOM 937 OG1 THR A1996 5.978 -6.829 2.950 1.00 0.00 O ATOM 938 CG2 THR A1996 7.486 -6.696 4.808 1.00 0.00 C ATOM 0 H THR A1996 7.278 -3.739 5.040 1.00 0.00 H new ATOM 0 HA THR A1996 5.017 -4.678 3.635 1.00 0.00 H new ATOM 0 HB THR A1996 7.359 -5.309 3.201 1.00 0.00 H new ATOM 0 HG1 THR A1996 6.622 -7.321 2.398 1.00 0.00 H new ATOM 0 HG21 THR A1996 8.186 -7.352 4.291 1.00 0.00 H new ATOM 0 HG22 THR A1996 8.039 -6.000 5.439 1.00 0.00 H new ATOM 0 HG23 THR A1996 6.818 -7.294 5.427 1.00 0.00 H new ATOM 946 N THR A1997 5.250 -5.551 6.810 1.00 0.00 N ATOM 947 CA THR A1997 4.531 -6.140 7.911 1.00 0.00 C ATOM 948 C THR A1997 3.246 -5.343 8.108 1.00 0.00 C ATOM 949 O THR A1997 2.206 -5.996 8.151 1.00 0.00 O ATOM 950 CB THR A1997 5.439 -6.258 9.146 1.00 0.00 C ATOM 951 OG1 THR A1997 6.157 -7.475 9.043 1.00 0.00 O ATOM 952 CG2 THR A1997 4.666 -6.271 10.461 1.00 0.00 C ATOM 0 H THR A1997 6.091 -5.044 7.085 1.00 0.00 H new ATOM 0 HA THR A1997 4.234 -7.169 7.708 1.00 0.00 H new ATOM 0 HB THR A1997 6.091 -5.385 9.161 1.00 0.00 H new ATOM 0 HG1 THR A1997 6.746 -7.574 9.820 1.00 0.00 H new ATOM 0 HG21 THR A1997 5.365 -6.356 11.293 1.00 0.00 H new ATOM 0 HG22 THR A1997 4.097 -5.346 10.558 1.00 0.00 H new ATOM 0 HG23 THR A1997 3.983 -7.120 10.473 1.00 0.00 H new ATOM 960 N THR A1998 3.264 -4.003 8.086 1.00 0.00 N ATOM 961 CA THR A1998 2.059 -3.185 8.261 1.00 0.00 C ATOM 962 C THR A1998 1.026 -3.633 7.221 1.00 0.00 C ATOM 963 O THR A1998 -0.156 -3.807 7.514 1.00 0.00 O ATOM 964 CB THR A1998 2.420 -1.695 8.047 1.00 0.00 C ATOM 965 OG1 THR A1998 3.621 -1.348 8.704 1.00 0.00 O ATOM 966 CG2 THR A1998 1.334 -0.711 8.488 1.00 0.00 C ATOM 0 H THR A1998 4.114 -3.457 7.946 1.00 0.00 H new ATOM 0 HA THR A1998 1.651 -3.306 9.264 1.00 0.00 H new ATOM 0 HB THR A1998 2.532 -1.605 6.966 1.00 0.00 H new ATOM 0 HG1 THR A1998 3.819 -0.401 8.546 1.00 0.00 H new ATOM 0 HG21 THR A1998 1.670 0.309 8.302 1.00 0.00 H new ATOM 0 HG22 THR A1998 0.421 -0.900 7.924 1.00 0.00 H new ATOM 0 HG23 THR A1998 1.137 -0.840 9.552 1.00 0.00 H new ATOM 974 N ILE A1999 1.482 -3.883 5.993 1.00 0.00 N ATOM 975 CA ILE A1999 0.650 -4.330 4.887 1.00 0.00 C ATOM 976 C ILE A1999 -0.003 -5.671 5.226 1.00 0.00 C ATOM 977 O ILE A1999 -1.214 -5.835 5.064 1.00 0.00 O ATOM 978 CB ILE A1999 1.517 -4.405 3.610 1.00 0.00 C ATOM 979 CG1 ILE A1999 1.620 -2.998 3.002 1.00 0.00 C ATOM 980 CG2 ILE A1999 0.961 -5.408 2.584 1.00 0.00 C ATOM 981 CD1 ILE A1999 2.729 -2.893 1.957 1.00 0.00 C ATOM 0 H ILE A1999 2.464 -3.776 5.739 1.00 0.00 H new ATOM 0 HA ILE A1999 -0.159 -3.622 4.709 1.00 0.00 H new ATOM 0 HB ILE A1999 2.508 -4.767 3.884 1.00 0.00 H new ATOM 0 HG12 ILE A1999 0.667 -2.733 2.544 1.00 0.00 H new ATOM 0 HG13 ILE A1999 1.804 -2.275 3.796 1.00 0.00 H new ATOM 0 HG21 ILE A1999 1.605 -5.424 1.705 1.00 0.00 H new ATOM 0 HG22 ILE A1999 0.929 -6.403 3.028 1.00 0.00 H new ATOM 0 HG23 ILE A1999 -0.045 -5.109 2.291 1.00 0.00 H new ATOM 0 HD11 ILE A1999 2.759 -1.879 1.559 1.00 0.00 H new ATOM 0 HD12 ILE A1999 3.688 -3.130 2.419 1.00 0.00 H new ATOM 0 HD13 ILE A1999 2.533 -3.595 1.147 1.00 0.00 H new ATOM 993 N ASN A2000 0.801 -6.644 5.654 1.00 0.00 N ATOM 994 CA ASN A2000 0.316 -7.971 5.987 1.00 0.00 C ATOM 995 C ASN A2000 -0.702 -7.906 7.102 1.00 0.00 C ATOM 996 O ASN A2000 -1.677 -8.638 7.068 1.00 0.00 O ATOM 997 CB ASN A2000 1.438 -8.833 6.543 1.00 0.00 C ATOM 998 CG ASN A2000 2.523 -9.159 5.568 1.00 0.00 C ATOM 999 OD1 ASN A2000 2.282 -9.308 4.380 1.00 0.00 O ATOM 1000 ND2 ASN A2000 3.735 -9.272 6.073 1.00 0.00 N ATOM 0 H ASN A2000 1.807 -6.528 5.778 1.00 0.00 H new ATOM 0 HA ASN A2000 -0.103 -8.381 5.068 1.00 0.00 H new ATOM 0 HB2 ASN A2000 1.880 -8.322 7.398 1.00 0.00 H new ATOM 0 HB3 ASN A2000 1.011 -9.765 6.914 1.00 0.00 H new ATOM 0 HD21 ASN A2000 4.523 -9.493 5.464 1.00 0.00 H new ATOM 0 HD22 ASN A2000 3.885 -9.138 7.073 1.00 0.00 H new ATOM 1007 N GLN A2001 -0.441 -7.075 8.104 1.00 0.00 N ATOM 1008 CA GLN A2001 -1.321 -6.913 9.254 1.00 0.00 C ATOM 1009 C GLN A2001 -2.635 -6.270 8.816 1.00 0.00 C ATOM 1010 O GLN A2001 -3.690 -6.641 9.318 1.00 0.00 O ATOM 1011 CB GLN A2001 -0.670 -6.072 10.375 1.00 0.00 C ATOM 1012 CG GLN A2001 0.688 -6.605 10.860 1.00 0.00 C ATOM 1013 CD GLN A2001 0.951 -6.377 12.345 1.00 0.00 C ATOM 1014 OE1 GLN A2001 1.095 -5.247 12.801 1.00 0.00 O ATOM 1015 NE2 GLN A2001 1.129 -7.422 13.130 1.00 0.00 N ATOM 0 H GLN A2001 0.394 -6.490 8.141 1.00 0.00 H new ATOM 0 HA GLN A2001 -1.512 -7.906 9.661 1.00 0.00 H new ATOM 0 HB2 GLN A2001 -0.539 -5.051 10.017 1.00 0.00 H new ATOM 0 HB3 GLN A2001 -1.353 -6.028 11.223 1.00 0.00 H new ATOM 0 HG2 GLN A2001 0.742 -7.674 10.652 1.00 0.00 H new ATOM 0 HG3 GLN A2001 1.481 -6.128 10.284 1.00 0.00 H new ATOM 0 HE21 GLN A2001 1.011 -8.365 12.759 1.00 0.00 H new ATOM 0 HE22 GLN A2001 1.384 -7.287 14.108 1.00 0.00 H new ATOM 1024 N THR A2002 -2.595 -5.368 7.835 1.00 0.00 N ATOM 1025 CA THR A2002 -3.769 -4.667 7.361 1.00 0.00 C ATOM 1026 C THR A2002 -4.731 -5.561 6.575 1.00 0.00 C ATOM 1027 O THR A2002 -5.952 -5.463 6.725 1.00 0.00 O ATOM 1028 CB THR A2002 -3.315 -3.483 6.486 1.00 0.00 C ATOM 1029 OG1 THR A2002 -2.473 -2.590 7.186 1.00 0.00 O ATOM 1030 CG2 THR A2002 -4.473 -2.664 5.919 1.00 0.00 C ATOM 0 H THR A2002 -1.737 -5.108 7.349 1.00 0.00 H new ATOM 0 HA THR A2002 -4.322 -4.320 8.234 1.00 0.00 H new ATOM 0 HB THR A2002 -2.774 -3.956 5.667 1.00 0.00 H new ATOM 0 HG1 THR A2002 -1.538 -2.852 7.056 1.00 0.00 H new ATOM 0 HG21 THR A2002 -4.079 -1.848 5.314 1.00 0.00 H new ATOM 0 HG22 THR A2002 -5.102 -3.304 5.300 1.00 0.00 H new ATOM 0 HG23 THR A2002 -5.065 -2.255 6.738 1.00 0.00 H new ATOM 1038 N TYR A2003 -4.192 -6.426 5.712 1.00 0.00 N ATOM 1039 CA TYR A2003 -5.005 -7.294 4.871 1.00 0.00 C ATOM 1040 C TYR A2003 -4.949 -8.772 5.249 1.00 0.00 C ATOM 1041 O TYR A2003 -5.542 -9.597 4.560 1.00 0.00 O ATOM 1042 CB TYR A2003 -4.618 -7.049 3.410 1.00 0.00 C ATOM 1043 CG TYR A2003 -4.491 -5.593 2.993 1.00 0.00 C ATOM 1044 CD1 TYR A2003 -5.614 -4.748 2.968 1.00 0.00 C ATOM 1045 CD2 TYR A2003 -3.222 -5.078 2.668 1.00 0.00 C ATOM 1046 CE1 TYR A2003 -5.481 -3.399 2.587 1.00 0.00 C ATOM 1047 CE2 TYR A2003 -3.074 -3.732 2.305 1.00 0.00 C ATOM 1048 CZ TYR A2003 -4.204 -2.885 2.272 1.00 0.00 C ATOM 1049 OH TYR A2003 -4.037 -1.565 1.994 1.00 0.00 O ATOM 0 H TYR A2003 -3.187 -6.541 5.580 1.00 0.00 H new ATOM 0 HA TYR A2003 -6.051 -7.032 5.030 1.00 0.00 H new ATOM 0 HB2 TYR A2003 -3.667 -7.546 3.218 1.00 0.00 H new ATOM 0 HB3 TYR A2003 -5.362 -7.526 2.772 1.00 0.00 H new ATOM 0 HD1 TYR A2003 -6.584 -5.136 3.242 1.00 0.00 H new ATOM 0 HD2 TYR A2003 -2.357 -5.724 2.698 1.00 0.00 H new ATOM 0 HE1 TYR A2003 -6.351 -2.761 2.536 1.00 0.00 H new ATOM 0 HE2 TYR A2003 -2.099 -3.344 2.051 1.00 0.00 H new ATOM 0 HH TYR A2003 -3.093 -1.388 1.801 1.00 0.00 H new ATOM 1059 N ASN A2004 -4.271 -9.107 6.344 1.00 0.00 N ATOM 1060 CA ASN A2004 -4.073 -10.445 6.885 1.00 0.00 C ATOM 1061 C ASN A2004 -3.392 -11.367 5.878 1.00 0.00 C ATOM 1062 O ASN A2004 -3.980 -12.344 5.419 1.00 0.00 O ATOM 1063 CB ASN A2004 -5.410 -10.992 7.379 1.00 0.00 C ATOM 1064 CG ASN A2004 -5.247 -12.294 8.148 1.00 0.00 C ATOM 1065 OD1 ASN A2004 -4.142 -12.696 8.517 1.00 0.00 O ATOM 1066 ND2 ASN A2004 -6.331 -13.012 8.359 1.00 0.00 N ATOM 0 H ASN A2004 -3.813 -8.397 6.916 1.00 0.00 H new ATOM 0 HA ASN A2004 -3.394 -10.392 7.736 1.00 0.00 H new ATOM 0 HB2 ASN A2004 -5.890 -10.251 8.019 1.00 0.00 H new ATOM 0 HB3 ASN A2004 -6.071 -11.155 6.528 1.00 0.00 H new ATOM 0 HD21 ASN A2004 -6.262 -13.913 8.833 1.00 0.00 H new ATOM 0 HD22 ASN A2004 -7.239 -12.667 8.048 1.00 0.00 H new ATOM 1073 N LEU A2005 -2.141 -11.057 5.539 1.00 0.00 N ATOM 1074 CA LEU A2005 -1.331 -11.783 4.557 1.00 0.00 C ATOM 1075 C LEU A2005 0.046 -12.112 5.120 1.00 0.00 C ATOM 1076 O LEU A2005 0.299 -11.942 6.309 1.00 0.00 O ATOM 1077 CB LEU A2005 -1.155 -10.915 3.290 1.00 0.00 C ATOM 1078 CG LEU A2005 -2.384 -10.103 2.866 1.00 0.00 C ATOM 1079 CD1 LEU A2005 -1.993 -9.124 1.772 1.00 0.00 C ATOM 1080 CD2 LEU A2005 -3.568 -10.946 2.404 1.00 0.00 C ATOM 0 H LEU A2005 -1.646 -10.268 5.953 1.00 0.00 H new ATOM 0 HA LEU A2005 -1.845 -12.713 4.314 1.00 0.00 H new ATOM 0 HB2 LEU A2005 -0.327 -10.226 3.456 1.00 0.00 H new ATOM 0 HB3 LEU A2005 -0.869 -11.565 2.463 1.00 0.00 H new ATOM 0 HG LEU A2005 -2.723 -9.579 3.760 1.00 0.00 H new ATOM 0 HD11 LEU A2005 -2.867 -8.547 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A2005 -1.224 -8.449 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A2005 -1.607 -9.673 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A2005 -4.393 -10.291 2.123 1.00 0.00 H new ATOM 0 HD22 LEU A2005 -3.273 -11.547 1.544 1.00 0.00 H new ATOM 0 HD23 LEU A2005 -3.885 -11.602 3.214 1.00 0.00 H new ATOM 1092 N ASN A2006 0.938 -12.599 4.266 1.00 0.00 N ATOM 1093 CA ASN A2006 2.313 -12.944 4.598 1.00 0.00 C ATOM 1094 C ASN A2006 3.153 -12.504 3.408 1.00 0.00 C ATOM 1095 O ASN A2006 3.063 -13.074 2.321 1.00 0.00 O ATOM 1096 CB ASN A2006 2.431 -14.449 4.878 1.00 0.00 C ATOM 1097 CG ASN A2006 3.752 -15.069 4.429 1.00 0.00 C ATOM 1098 OD1 ASN A2006 4.839 -14.509 4.573 1.00 0.00 O ATOM 1099 ND2 ASN A2006 3.666 -16.248 3.848 1.00 0.00 N ATOM 0 H ASN A2006 0.714 -12.771 3.286 1.00 0.00 H new ATOM 0 HA ASN A2006 2.658 -12.447 5.504 1.00 0.00 H new ATOM 0 HB2 ASN A2006 2.308 -14.619 5.948 1.00 0.00 H new ATOM 0 HB3 ASN A2006 1.612 -14.965 4.377 1.00 0.00 H new ATOM 0 HD21 ASN A2006 4.509 -16.712 3.509 1.00 0.00 H new ATOM 0 HD22 ASN A2006 2.757 -16.697 3.737 1.00 0.00 H new ATOM 1106 N LEU A2007 3.995 -11.504 3.624 1.00 0.00 N ATOM 1107 CA LEU A2007 4.888 -10.919 2.637 1.00 0.00 C ATOM 1108 C LEU A2007 6.090 -10.371 3.378 1.00 0.00 C ATOM 1109 O LEU A2007 6.016 -10.122 4.584 1.00 0.00 O ATOM 1110 CB LEU A2007 4.246 -9.714 1.943 1.00 0.00 C ATOM 1111 CG LEU A2007 2.865 -9.908 1.288 1.00 0.00 C ATOM 1112 CD1 LEU A2007 2.219 -8.534 1.095 1.00 0.00 C ATOM 1113 CD2 LEU A2007 2.971 -10.687 -0.025 1.00 0.00 C ATOM 0 H LEU A2007 4.077 -11.057 4.537 1.00 0.00 H new ATOM 0 HA LEU A2007 5.134 -11.686 1.902 1.00 0.00 H new ATOM 0 HB2 LEU A2007 4.158 -8.914 2.678 1.00 0.00 H new ATOM 0 HB3 LEU A2007 4.935 -9.366 1.173 1.00 0.00 H new ATOM 0 HG LEU A2007 2.231 -10.508 1.940 1.00 0.00 H new ATOM 0 HD11 LEU A2007 1.240 -8.654 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A2007 2.105 -8.046 2.063 1.00 0.00 H new ATOM 0 HD13 LEU A2007 2.852 -7.922 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A2007 1.978 -10.805 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A2007 3.609 -10.142 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A2007 3.402 -11.669 0.169 1.00 0.00 H new ATOM 1125 N LYS A2008 7.194 -10.164 2.669 1.00 0.00 N ATOM 1126 CA LYS A2008 8.402 -9.635 3.245 1.00 0.00 C ATOM 1127 C LYS A2008 9.028 -8.598 2.339 1.00 0.00 C ATOM 1128 O LYS A2008 8.451 -8.234 1.319 1.00 0.00 O ATOM 1129 CB LYS A2008 9.326 -10.777 3.604 1.00 0.00 C ATOM 1130 CG LYS A2008 10.012 -11.526 2.453 1.00 0.00 C ATOM 1131 CD LYS A2008 11.506 -11.750 2.703 1.00 0.00 C ATOM 1132 CE LYS A2008 11.803 -12.242 4.113 1.00 0.00 C ATOM 1133 NZ LYS A2008 11.265 -13.593 4.381 1.00 0.00 N ATOM 0 H LYS A2008 7.266 -10.364 1.671 1.00 0.00 H new ATOM 0 HA LYS A2008 8.177 -9.104 4.170 1.00 0.00 H new ATOM 0 HB2 LYS A2008 10.103 -10.386 4.261 1.00 0.00 H new ATOM 0 HB3 LYS A2008 8.754 -11.502 4.183 1.00 0.00 H new ATOM 0 HG2 LYS A2008 9.523 -12.490 2.309 1.00 0.00 H new ATOM 0 HG3 LYS A2008 9.883 -10.962 1.529 1.00 0.00 H new ATOM 0 HD2 LYS A2008 11.885 -12.475 1.983 1.00 0.00 H new ATOM 0 HD3 LYS A2008 12.042 -10.817 2.528 1.00 0.00 H new ATOM 0 HE2 LYS A2008 12.882 -12.249 4.269 1.00 0.00 H new ATOM 0 HE3 LYS A2008 11.382 -11.540 4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A2008 11.499 -13.873 5.355 1.00 0.00 H new ATOM 0 HZ2 LYS A2008 10.232 -13.585 4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A2008 11.686 -14.272 3.715 1.00 0.00 H new ATOM 1147 N ALA A2009 10.252 -8.204 2.698 1.00 0.00 N ATOM 1148 CA ALA A2009 11.051 -7.230 1.984 1.00 0.00 C ATOM 1149 C ALA A2009 11.164 -7.511 0.481 1.00 0.00 C ATOM 1150 O ALA A2009 11.406 -6.584 -0.292 1.00 0.00 O ATOM 1151 CB ALA A2009 12.421 -7.155 2.640 1.00 0.00 C ATOM 0 H ALA A2009 10.722 -8.573 3.524 1.00 0.00 H new ATOM 0 HA ALA A2009 10.546 -6.266 2.051 1.00 0.00 H new ATOM 0 HB1 ALA A2009 13.037 -6.425 2.114 1.00 0.00 H new ATOM 0 HB2 ALA A2009 12.310 -6.853 3.681 1.00 0.00 H new ATOM 0 HB3 ALA A2009 12.900 -8.133 2.595 1.00 0.00 H new ATOM 1157 N THR A2010 10.996 -8.770 0.057 1.00 0.00 N ATOM 1158 CA THR A2010 11.042 -9.162 -1.346 1.00 0.00 C ATOM 1159 C THR A2010 10.028 -8.333 -2.116 1.00 0.00 C ATOM 1160 O THR A2010 10.315 -7.853 -3.207 1.00 0.00 O ATOM 1161 CB THR A2010 10.658 -10.644 -1.491 1.00 0.00 C ATOM 1162 OG1 THR A2010 9.463 -10.934 -0.788 1.00 0.00 O ATOM 1163 CG2 THR A2010 11.745 -11.561 -0.949 1.00 0.00 C ATOM 0 H THR A2010 10.823 -9.550 0.691 1.00 0.00 H new ATOM 0 HA THR A2010 12.050 -9.004 -1.730 1.00 0.00 H new ATOM 0 HB THR A2010 10.522 -10.820 -2.558 1.00 0.00 H new ATOM 0 HG1 THR A2010 9.241 -11.882 -0.898 1.00 0.00 H new ATOM 0 HG21 THR A2010 11.438 -12.600 -1.069 1.00 0.00 H new ATOM 0 HG22 THR A2010 12.671 -11.391 -1.498 1.00 0.00 H new ATOM 0 HG23 THR A2010 11.905 -11.350 0.108 1.00 0.00 H new ATOM 1171 N LYS A2011 8.845 -8.133 -1.528 1.00 0.00 N ATOM 1172 CA LYS A2011 7.793 -7.369 -2.171 1.00 0.00 C ATOM 1173 C LYS A2011 8.184 -5.954 -2.534 1.00 0.00 C ATOM 1174 O LYS A2011 7.848 -5.509 -3.629 1.00 0.00 O ATOM 1175 CB LYS A2011 6.578 -7.285 -1.261 1.00 0.00 C ATOM 1176 CG LYS A2011 5.717 -8.518 -1.244 1.00 0.00 C ATOM 1177 CD LYS A2011 5.142 -8.735 -2.644 1.00 0.00 C ATOM 1178 CE LYS A2011 5.789 -9.984 -3.230 1.00 0.00 C ATOM 1179 NZ LYS A2011 5.456 -10.336 -4.632 1.00 0.00 N ATOM 0 H LYS A2011 8.600 -8.494 -0.606 1.00 0.00 H new ATOM 0 HA LYS A2011 7.580 -7.905 -3.096 1.00 0.00 H new ATOM 0 HB2 LYS A2011 6.916 -7.081 -0.245 1.00 0.00 H new ATOM 0 HB3 LYS A2011 5.968 -6.437 -1.571 1.00 0.00 H new ATOM 0 HG2 LYS A2011 6.304 -9.384 -0.938 1.00 0.00 H new ATOM 0 HG3 LYS A2011 4.912 -8.406 -0.518 1.00 0.00 H new ATOM 0 HD2 LYS A2011 4.059 -8.853 -2.597 1.00 0.00 H new ATOM 0 HD3 LYS A2011 5.342 -7.870 -3.276 1.00 0.00 H new ATOM 0 HE2 LYS A2011 6.870 -9.866 -3.161 1.00 0.00 H new ATOM 0 HE3 LYS A2011 5.519 -10.830 -2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A2011 4.868 -11.194 -4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A2011 4.934 -9.552 -5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A2011 6.333 -10.510 -5.164 1.00 0.00 H new ATOM 1193 N LEU A2012 8.918 -5.272 -1.662 1.00 0.00 N ATOM 1194 CA LEU A2012 9.319 -3.886 -1.918 1.00 0.00 C ATOM 1195 C LEU A2012 10.279 -3.819 -3.114 1.00 0.00 C ATOM 1196 O LEU A2012 10.484 -2.750 -3.690 1.00 0.00 O ATOM 1197 CB LEU A2012 9.987 -3.297 -0.645 1.00 0.00 C ATOM 1198 CG LEU A2012 9.012 -2.731 0.411 1.00 0.00 C ATOM 1199 CD1 LEU A2012 8.230 -1.570 -0.225 1.00 0.00 C ATOM 1200 CD2 LEU A2012 8.215 -3.834 1.134 1.00 0.00 C ATOM 0 H LEU A2012 9.248 -5.651 -0.774 1.00 0.00 H new ATOM 0 HA LEU A2012 8.436 -3.295 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A2012 10.590 -4.076 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A2012 10.670 -2.503 -0.947 1.00 0.00 H new ATOM 0 HG LEU A2012 9.543 -2.291 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A2012 7.535 -1.156 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A2012 8.926 -0.794 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A2012 7.674 -1.936 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A2012 7.546 -3.380 1.865 1.00 0.00 H new ATOM 0 HD22 LEU A2012 7.630 -4.396 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A2012 8.905 -4.507 1.643 1.00 0.00 H new ATOM 1212 N TYR A2013 10.876 -4.951 -3.480 1.00 0.00 N ATOM 1213 CA TYR A2013 11.806 -5.139 -4.584 1.00 0.00 C ATOM 1214 C TYR A2013 11.117 -5.782 -5.794 1.00 0.00 C ATOM 1215 O TYR A2013 11.728 -5.918 -6.857 1.00 0.00 O ATOM 1216 CB TYR A2013 12.941 -6.020 -4.062 1.00 0.00 C ATOM 1217 CG TYR A2013 14.235 -5.952 -4.849 1.00 0.00 C ATOM 1218 CD1 TYR A2013 15.055 -4.811 -4.790 1.00 0.00 C ATOM 1219 CD2 TYR A2013 14.641 -7.059 -5.614 1.00 0.00 C ATOM 1220 CE1 TYR A2013 16.261 -4.772 -5.511 1.00 0.00 C ATOM 1221 CE2 TYR A2013 15.832 -7.022 -6.358 1.00 0.00 C ATOM 1222 CZ TYR A2013 16.643 -5.868 -6.319 1.00 0.00 C ATOM 1223 OH TYR A2013 17.794 -5.842 -7.046 1.00 0.00 O ATOM 0 H TYR A2013 10.709 -5.821 -2.975 1.00 0.00 H new ATOM 0 HA TYR A2013 12.189 -4.179 -4.929 1.00 0.00 H new ATOM 0 HB2 TYR A2013 13.149 -5.740 -3.029 1.00 0.00 H new ATOM 0 HB3 TYR A2013 12.598 -7.055 -4.049 1.00 0.00 H new ATOM 0 HD1 TYR A2013 14.758 -3.964 -4.190 1.00 0.00 H new ATOM 0 HD2 TYR A2013 14.030 -7.949 -5.630 1.00 0.00 H new ATOM 0 HE1 TYR A2013 16.898 -3.902 -5.448 1.00 0.00 H new ATOM 0 HE2 TYR A2013 16.125 -7.872 -6.956 1.00 0.00 H new ATOM 0 HH TYR A2013 17.889 -6.684 -7.538 1.00 0.00 H new ATOM 1233 N ASP A2014 9.853 -6.175 -5.637 1.00 0.00 N ATOM 1234 CA ASP A2014 9.010 -6.797 -6.645 1.00 0.00 C ATOM 1235 C ASP A2014 8.063 -5.753 -7.226 1.00 0.00 C ATOM 1236 O ASP A2014 7.829 -5.743 -8.435 1.00 0.00 O ATOM 1237 CB ASP A2014 8.191 -7.920 -5.986 1.00 0.00 C ATOM 1238 CG ASP A2014 8.164 -9.204 -6.798 1.00 0.00 C ATOM 1239 OD1 ASP A2014 9.225 -9.630 -7.319 1.00 0.00 O ATOM 1240 OD2 ASP A2014 7.126 -9.893 -6.739 1.00 0.00 O ATOM 0 H ASP A2014 9.366 -6.059 -4.748 1.00 0.00 H new ATOM 0 HA ASP A2014 9.628 -7.209 -7.443 1.00 0.00 H new ATOM 0 HB2 ASP A2014 8.605 -8.131 -5.000 1.00 0.00 H new ATOM 0 HB3 ASP A2014 7.169 -7.573 -5.835 1.00 0.00 H new ATOM 1245 N TYR A2015 7.559 -4.856 -6.370 1.00 0.00 N ATOM 1246 CA TYR A2015 6.632 -3.776 -6.685 1.00 0.00 C ATOM 1247 C TYR A2015 7.055 -2.517 -5.924 1.00 0.00 C ATOM 1248 O TYR A2015 6.493 -2.210 -4.872 1.00 0.00 O ATOM 1249 CB TYR A2015 5.183 -4.154 -6.354 1.00 0.00 C ATOM 1250 CG TYR A2015 4.801 -5.588 -6.598 1.00 0.00 C ATOM 1251 CD1 TYR A2015 4.859 -6.150 -7.885 1.00 0.00 C ATOM 1252 CD2 TYR A2015 4.448 -6.381 -5.499 1.00 0.00 C ATOM 1253 CE1 TYR A2015 4.610 -7.522 -8.064 1.00 0.00 C ATOM 1254 CE2 TYR A2015 4.129 -7.722 -5.690 1.00 0.00 C ATOM 1255 CZ TYR A2015 4.233 -8.316 -6.960 1.00 0.00 C ATOM 1256 OH TYR A2015 4.021 -9.654 -7.066 1.00 0.00 O ATOM 0 H TYR A2015 7.806 -4.871 -5.380 1.00 0.00 H new ATOM 0 HA TYR A2015 6.670 -3.586 -7.758 1.00 0.00 H new ATOM 0 HB2 TYR A2015 5.000 -3.924 -5.304 1.00 0.00 H new ATOM 0 HB3 TYR A2015 4.520 -3.518 -6.940 1.00 0.00 H new ATOM 0 HD1 TYR A2015 5.095 -5.528 -8.736 1.00 0.00 H new ATOM 0 HD2 TYR A2015 4.423 -5.954 -4.507 1.00 0.00 H new ATOM 0 HE1 TYR A2015 4.707 -7.967 -9.043 1.00 0.00 H new ATOM 0 HE2 TYR A2015 3.797 -8.315 -4.851 1.00 0.00 H new ATOM 0 HH TYR A2015 3.174 -9.886 -6.631 1.00 0.00 H new ATOM 1266 N PRO A2016 8.048 -1.771 -6.413 1.00 0.00 N ATOM 1267 CA PRO A2016 8.497 -0.553 -5.762 1.00 0.00 C ATOM 1268 C PRO A2016 7.468 0.591 -5.866 1.00 0.00 C ATOM 1269 O PRO A2016 7.753 1.651 -5.319 1.00 0.00 O ATOM 1270 CB PRO A2016 9.822 -0.222 -6.446 1.00 0.00 C ATOM 1271 CG PRO A2016 9.606 -0.744 -7.862 1.00 0.00 C ATOM 1272 CD PRO A2016 8.811 -2.020 -7.622 1.00 0.00 C ATOM 0 HA PRO A2016 8.619 -0.687 -4.687 1.00 0.00 H new ATOM 0 HB2 PRO A2016 10.027 0.849 -6.436 1.00 0.00 H new ATOM 0 HB3 PRO A2016 10.664 -0.712 -5.957 1.00 0.00 H new ATOM 0 HG2 PRO A2016 9.056 -0.032 -8.478 1.00 0.00 H new ATOM 0 HG3 PRO A2016 10.550 -0.943 -8.370 1.00 0.00 H new ATOM 0 HD2 PRO A2016 8.154 -2.239 -8.464 1.00 0.00 H new ATOM 0 HD3 PRO A2016 9.471 -2.879 -7.501 1.00 0.00 H new ATOM 1280 N THR A2017 6.314 0.439 -6.534 1.00 0.00 N ATOM 1281 CA THR A2017 5.288 1.477 -6.645 1.00 0.00 C ATOM 1282 C THR A2017 3.943 0.919 -6.161 1.00 0.00 C ATOM 1283 O THR A2017 3.702 -0.288 -6.172 1.00 0.00 O ATOM 1284 CB THR A2017 5.183 2.032 -8.072 1.00 0.00 C ATOM 1285 OG1 THR A2017 4.585 1.109 -8.955 1.00 0.00 O ATOM 1286 CG2 THR A2017 6.509 2.352 -8.751 1.00 0.00 C ATOM 0 H THR A2017 6.068 -0.424 -7.019 1.00 0.00 H new ATOM 0 HA THR A2017 5.576 2.315 -6.010 1.00 0.00 H new ATOM 0 HB THR A2017 4.603 2.941 -7.912 1.00 0.00 H new ATOM 0 HG1 THR A2017 5.235 0.416 -9.193 1.00 0.00 H new ATOM 0 HG21 THR A2017 6.321 2.737 -9.753 1.00 0.00 H new ATOM 0 HG22 THR A2017 7.044 3.102 -8.169 1.00 0.00 H new ATOM 0 HG23 THR A2017 7.112 1.446 -8.818 1.00 0.00 H new ATOM 1294 N LEU A2018 3.027 1.794 -5.754 1.00 0.00 N ATOM 1295 CA LEU A2018 1.694 1.461 -5.237 1.00 0.00 C ATOM 1296 C LEU A2018 0.804 0.788 -6.258 1.00 0.00 C ATOM 1297 O LEU A2018 -0.018 -0.053 -5.892 1.00 0.00 O ATOM 1298 CB LEU A2018 0.980 2.755 -4.811 1.00 0.00 C ATOM 1299 CG LEU A2018 1.801 3.570 -3.810 1.00 0.00 C ATOM 1300 CD1 LEU A2018 1.234 4.955 -3.594 1.00 0.00 C ATOM 1301 CD2 LEU A2018 1.822 2.833 -2.479 1.00 0.00 C ATOM 0 H LEU A2018 3.197 2.800 -5.775 1.00 0.00 H new ATOM 0 HA LEU A2018 1.854 0.772 -4.408 1.00 0.00 H new ATOM 0 HB2 LEU A2018 0.779 3.363 -5.693 1.00 0.00 H new ATOM 0 HB3 LEU A2018 0.015 2.506 -4.369 1.00 0.00 H new ATOM 0 HG LEU A2018 2.806 3.683 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A2018 1.852 5.493 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A2018 1.224 5.496 -4.540 1.00 0.00 H new ATOM 0 HD13 LEU A2018 0.217 4.876 -3.210 1.00 0.00 H new ATOM 0 HD21 LEU A2018 2.405 3.404 -1.756 1.00 0.00 H new ATOM 0 HD22 LEU A2018 0.802 2.716 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A2018 2.274 1.850 -2.614 1.00 0.00 H new ATOM 1313 N LEU A2019 0.951 1.165 -7.524 1.00 0.00 N ATOM 1314 CA LEU A2019 0.142 0.637 -8.616 1.00 0.00 C ATOM 1315 C LEU A2019 0.262 -0.881 -8.710 1.00 0.00 C ATOM 1316 O LEU A2019 -0.749 -1.584 -8.739 1.00 0.00 O ATOM 1317 CB LEU A2019 0.518 1.334 -9.934 1.00 0.00 C ATOM 1318 CG LEU A2019 0.020 2.783 -10.016 1.00 0.00 C ATOM 1319 CD1 LEU A2019 0.791 3.506 -11.113 1.00 0.00 C ATOM 1320 CD2 LEU A2019 -1.481 2.940 -10.256 1.00 0.00 C ATOM 0 H LEU A2019 1.642 1.853 -7.823 1.00 0.00 H new ATOM 0 HA LEU A2019 -0.907 0.852 -8.413 1.00 0.00 H new ATOM 0 HB2 LEU A2019 1.602 1.322 -10.047 1.00 0.00 H new ATOM 0 HB3 LEU A2019 0.105 0.767 -10.768 1.00 0.00 H new ATOM 0 HG LEU A2019 0.201 3.220 -9.034 1.00 0.00 H new ATOM 0 HD11 LEU A2019 0.446 4.538 -11.181 1.00 0.00 H new ATOM 0 HD12 LEU A2019 1.855 3.494 -10.878 1.00 0.00 H new ATOM 0 HD13 LEU A2019 0.624 3.004 -12.066 1.00 0.00 H new ATOM 0 HD21 LEU A2019 -1.734 3.999 -10.298 1.00 0.00 H new ATOM 0 HD22 LEU A2019 -1.750 2.465 -11.199 1.00 0.00 H new ATOM 0 HD23 LEU A2019 -2.031 2.468 -9.442 1.00 0.00 H new ATOM 1332 N GLU A2020 1.487 -1.380 -8.813 1.00 0.00 N ATOM 1333 CA GLU A2020 1.791 -2.809 -8.900 1.00 0.00 C ATOM 1334 C GLU A2020 1.636 -3.484 -7.534 1.00 0.00 C ATOM 1335 O GLU A2020 1.093 -4.587 -7.457 1.00 0.00 O ATOM 1336 CB GLU A2020 3.192 -3.040 -9.505 1.00 0.00 C ATOM 1337 CG GLU A2020 4.101 -1.833 -9.293 1.00 0.00 C ATOM 1338 CD GLU A2020 5.562 -1.977 -9.650 1.00 0.00 C ATOM 1339 OE1 GLU A2020 5.950 -2.957 -10.315 1.00 0.00 O ATOM 1340 OE2 GLU A2020 6.276 -1.020 -9.280 1.00 0.00 O ATOM 0 H GLU A2020 2.319 -0.791 -8.839 1.00 0.00 H new ATOM 0 HA GLU A2020 1.070 -3.273 -9.573 1.00 0.00 H new ATOM 0 HB2 GLU A2020 3.644 -3.921 -9.050 1.00 0.00 H new ATOM 0 HB3 GLU A2020 3.099 -3.244 -10.572 1.00 0.00 H new ATOM 0 HG2 GLU A2020 3.696 -1.003 -9.872 1.00 0.00 H new ATOM 0 HG3 GLU A2020 4.040 -1.549 -8.243 1.00 0.00 H new ATOM 1347 N LEU A2021 2.061 -2.807 -6.455 1.00 0.00 N ATOM 1348 CA LEU A2021 1.992 -3.323 -5.091 1.00 0.00 C ATOM 1349 C LEU A2021 0.569 -3.732 -4.725 1.00 0.00 C ATOM 1350 O LEU A2021 0.364 -4.854 -4.260 1.00 0.00 O ATOM 1351 CB LEU A2021 2.552 -2.314 -4.098 1.00 0.00 C ATOM 1352 CG LEU A2021 2.839 -3.066 -2.797 1.00 0.00 C ATOM 1353 CD1 LEU A2021 4.234 -2.705 -2.388 1.00 0.00 C ATOM 1354 CD2 LEU A2021 1.903 -2.747 -1.661 1.00 0.00 C ATOM 0 H LEU A2021 2.467 -1.873 -6.514 1.00 0.00 H new ATOM 0 HA LEU A2021 2.612 -4.218 -5.041 1.00 0.00 H new ATOM 0 HB2 LEU A2021 3.462 -1.857 -4.487 1.00 0.00 H new ATOM 0 HB3 LEU A2021 1.839 -1.508 -3.926 1.00 0.00 H new ATOM 0 HG LEU A2021 2.701 -4.129 -2.996 1.00 0.00 H new ATOM 0 HD11 LEU A2021 4.486 -3.219 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A2021 4.932 -3.005 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A2021 4.301 -1.628 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A2021 2.185 -3.328 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A2021 1.963 -1.684 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A2021 0.882 -2.998 -1.949 1.00 0.00 H new ATOM 1366 N SER A2022 -0.390 -2.817 -4.917 1.00 0.00 N ATOM 1367 CA SER A2022 -1.801 -3.043 -4.624 1.00 0.00 C ATOM 1368 C SER A2022 -2.370 -4.184 -5.461 1.00 0.00 C ATOM 1369 O SER A2022 -3.176 -4.958 -4.949 1.00 0.00 O ATOM 1370 CB SER A2022 -2.625 -1.764 -4.839 1.00 0.00 C ATOM 1371 OG SER A2022 -2.393 -1.158 -6.097 1.00 0.00 O ATOM 0 H SER A2022 -0.198 -1.886 -5.286 1.00 0.00 H new ATOM 0 HA SER A2022 -1.869 -3.325 -3.573 1.00 0.00 H new ATOM 0 HB2 SER A2022 -3.685 -2.002 -4.747 1.00 0.00 H new ATOM 0 HB3 SER A2022 -2.389 -1.050 -4.050 1.00 0.00 H new ATOM 0 HG SER A2022 -1.545 -0.667 -6.072 1.00 0.00 H new ATOM 1377 N GLY A2023 -1.928 -4.294 -6.717 1.00 0.00 N ATOM 1378 CA GLY A2023 -2.357 -5.309 -7.661 1.00 0.00 C ATOM 1379 C GLY A2023 -2.156 -6.699 -7.088 1.00 0.00 C ATOM 1380 O GLY A2023 -3.085 -7.504 -7.100 1.00 0.00 O ATOM 0 H GLY A2023 -1.238 -3.653 -7.110 1.00 0.00 H new ATOM 0 HA2 GLY A2023 -3.408 -5.161 -7.907 1.00 0.00 H new ATOM 0 HA3 GLY A2023 -1.795 -5.209 -8.589 1.00 0.00 H new ATOM 1384 N TYR A2024 -0.958 -6.976 -6.566 1.00 0.00 N ATOM 1385 CA TYR A2024 -0.681 -8.288 -6.006 1.00 0.00 C ATOM 1386 C TYR A2024 -1.549 -8.538 -4.779 1.00 0.00 C ATOM 1387 O TYR A2024 -2.328 -9.483 -4.771 1.00 0.00 O ATOM 1388 CB TYR A2024 0.815 -8.460 -5.697 1.00 0.00 C ATOM 1389 CG TYR A2024 1.242 -9.905 -5.492 1.00 0.00 C ATOM 1390 CD1 TYR A2024 0.899 -10.852 -6.476 1.00 0.00 C ATOM 1391 CD2 TYR A2024 2.017 -10.305 -4.378 1.00 0.00 C ATOM 1392 CE1 TYR A2024 1.326 -12.181 -6.372 1.00 0.00 C ATOM 1393 CE2 TYR A2024 2.464 -11.642 -4.276 1.00 0.00 C ATOM 1394 CZ TYR A2024 2.127 -12.580 -5.285 1.00 0.00 C ATOM 1395 OH TYR A2024 2.557 -13.873 -5.247 1.00 0.00 O ATOM 0 H TYR A2024 -0.180 -6.317 -6.522 1.00 0.00 H new ATOM 0 HA TYR A2024 -0.937 -9.041 -6.752 1.00 0.00 H new ATOM 0 HB2 TYR A2024 1.396 -8.033 -6.514 1.00 0.00 H new ATOM 0 HB3 TYR A2024 1.058 -7.889 -4.801 1.00 0.00 H new ATOM 0 HD1 TYR A2024 0.299 -10.549 -7.321 1.00 0.00 H new ATOM 0 HD2 TYR A2024 2.266 -9.591 -3.607 1.00 0.00 H new ATOM 0 HE1 TYR A2024 1.041 -12.900 -7.126 1.00 0.00 H new ATOM 0 HE2 TYR A2024 3.062 -11.949 -3.430 1.00 0.00 H new ATOM 0 HH TYR A2024 3.101 -14.013 -4.444 1.00 0.00 H new ATOM 1405 N ILE A2025 -1.495 -7.642 -3.790 1.00 0.00 N ATOM 1406 CA ILE A2025 -2.244 -7.745 -2.534 1.00 0.00 C ATOM 1407 C ILE A2025 -3.720 -8.031 -2.780 1.00 0.00 C ATOM 1408 O ILE A2025 -4.261 -8.938 -2.145 1.00 0.00 O ATOM 1409 CB ILE A2025 -2.108 -6.428 -1.729 1.00 0.00 C ATOM 1410 CG1 ILE A2025 -0.645 -6.186 -1.320 1.00 0.00 C ATOM 1411 CG2 ILE A2025 -2.986 -6.394 -0.464 1.00 0.00 C ATOM 1412 CD1 ILE A2025 -0.455 -4.921 -0.490 1.00 0.00 C ATOM 0 H ILE A2025 -0.915 -6.804 -3.841 1.00 0.00 H new ATOM 0 HA ILE A2025 -1.824 -8.576 -1.968 1.00 0.00 H new ATOM 0 HB ILE A2025 -2.453 -5.639 -2.397 1.00 0.00 H new ATOM 0 HG12 ILE A2025 -0.287 -7.044 -0.750 1.00 0.00 H new ATOM 0 HG13 ILE A2025 -0.030 -6.120 -2.217 1.00 0.00 H new ATOM 0 HG21 ILE A2025 -2.843 -5.445 0.053 1.00 0.00 H new ATOM 0 HG22 ILE A2025 -4.034 -6.500 -0.745 1.00 0.00 H new ATOM 0 HG23 ILE A2025 -2.703 -7.213 0.197 1.00 0.00 H new ATOM 0 HD11 ILE A2025 0.599 -4.808 -0.234 1.00 0.00 H new ATOM 0 HD12 ILE A2025 -0.783 -4.055 -1.066 1.00 0.00 H new ATOM 0 HD13 ILE A2025 -1.044 -4.994 0.424 1.00 0.00 H new ATOM 1424 N ALA A2026 -4.360 -7.264 -3.666 1.00 0.00 N ATOM 1425 CA ALA A2026 -5.770 -7.413 -3.971 1.00 0.00 C ATOM 1426 C ALA A2026 -6.134 -8.845 -4.357 1.00 0.00 C ATOM 1427 O ALA A2026 -7.242 -9.266 -4.036 1.00 0.00 O ATOM 1428 CB ALA A2026 -6.161 -6.416 -5.065 1.00 0.00 C ATOM 0 H ALA A2026 -3.903 -6.519 -4.192 1.00 0.00 H new ATOM 0 HA ALA A2026 -6.340 -7.194 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A2026 -7.221 -6.526 -5.296 1.00 0.00 H new ATOM 0 HB2 ALA A2026 -5.969 -5.401 -4.718 1.00 0.00 H new ATOM 0 HB3 ALA A2026 -5.572 -6.610 -5.962 1.00 0.00 H new ATOM 1434 N GLN A2027 -5.237 -9.574 -5.031 1.00 0.00 N ATOM 1435 CA GLN A2027 -5.453 -10.953 -5.455 1.00 0.00 C ATOM 1436 C GLN A2027 -5.299 -11.916 -4.274 1.00 0.00 C ATOM 1437 O GLN A2027 -6.070 -12.865 -4.162 1.00 0.00 O ATOM 1438 CB GLN A2027 -4.471 -11.321 -6.583 1.00 0.00 C ATOM 1439 CG GLN A2027 -4.711 -10.455 -7.829 1.00 0.00 C ATOM 1440 CD GLN A2027 -3.584 -10.515 -8.858 1.00 0.00 C ATOM 1441 OE1 GLN A2027 -2.921 -11.532 -9.067 1.00 0.00 O ATOM 1442 NE2 GLN A2027 -3.368 -9.411 -9.554 1.00 0.00 N ATOM 0 H GLN A2027 -4.323 -9.210 -5.300 1.00 0.00 H new ATOM 0 HA GLN A2027 -6.471 -11.042 -5.833 1.00 0.00 H new ATOM 0 HB2 GLN A2027 -3.447 -11.188 -6.235 1.00 0.00 H new ATOM 0 HB3 GLN A2027 -4.586 -12.374 -6.840 1.00 0.00 H new ATOM 0 HG2 GLN A2027 -5.639 -10.771 -8.304 1.00 0.00 H new ATOM 0 HG3 GLN A2027 -4.849 -9.420 -7.517 1.00 0.00 H new ATOM 0 HE21 GLN A2027 -3.924 -8.576 -9.371 1.00 0.00 H new ATOM 0 HE22 GLN A2027 -2.645 -9.395 -10.274 1.00 0.00 H new ATOM 1451 N ILE A2028 -4.338 -11.673 -3.380 1.00 0.00 N ATOM 1452 CA ILE A2028 -4.071 -12.514 -2.212 1.00 0.00 C ATOM 1453 C ILE A2028 -5.291 -12.516 -1.308 1.00 0.00 C ATOM 1454 O ILE A2028 -5.813 -13.582 -0.971 1.00 0.00 O ATOM 1455 CB ILE A2028 -2.830 -12.015 -1.430 1.00 0.00 C ATOM 1456 CG1 ILE A2028 -1.628 -11.723 -2.338 1.00 0.00 C ATOM 1457 CG2 ILE A2028 -2.428 -13.018 -0.340 1.00 0.00 C ATOM 1458 CD1 ILE A2028 -0.443 -11.076 -1.621 1.00 0.00 C ATOM 0 H ILE A2028 -3.712 -10.871 -3.449 1.00 0.00 H new ATOM 0 HA ILE A2028 -3.862 -13.528 -2.554 1.00 0.00 H new ATOM 0 HB ILE A2028 -3.123 -11.073 -0.967 1.00 0.00 H new ATOM 0 HG12 ILE A2028 -1.297 -12.656 -2.794 1.00 0.00 H new ATOM 0 HG13 ILE A2028 -1.949 -11.068 -3.148 1.00 0.00 H new ATOM 0 HG21 ILE A2028 -1.554 -12.644 0.194 1.00 0.00 H new ATOM 0 HG22 ILE A2028 -3.254 -13.146 0.360 1.00 0.00 H new ATOM 0 HG23 ILE A2028 -2.190 -13.978 -0.799 1.00 0.00 H new ATOM 0 HD11 ILE A2028 0.363 -10.903 -2.334 1.00 0.00 H new ATOM 0 HD12 ILE A2028 -0.755 -10.125 -1.188 1.00 0.00 H new ATOM 0 HD13 ILE A2028 -0.092 -11.737 -0.829 1.00 0.00 H new ATOM 1470 N LEU A2029 -5.758 -11.332 -0.904 1.00 0.00 N ATOM 1471 CA LEU A2029 -6.922 -11.247 -0.045 1.00 0.00 C ATOM 1472 C LEU A2029 -8.161 -11.734 -0.781 1.00 0.00 C ATOM 1473 O LEU A2029 -9.009 -12.352 -0.145 1.00 0.00 O ATOM 1474 CB LEU A2029 -7.087 -9.869 0.594 1.00 0.00 C ATOM 1475 CG LEU A2029 -7.175 -8.668 -0.356 1.00 0.00 C ATOM 1476 CD1 LEU A2029 -8.597 -8.400 -0.855 1.00 0.00 C ATOM 1477 CD2 LEU A2029 -6.652 -7.440 0.374 1.00 0.00 C ATOM 0 H LEU A2029 -5.348 -10.434 -1.159 1.00 0.00 H new ATOM 0 HA LEU A2029 -6.769 -11.918 0.800 1.00 0.00 H new ATOM 0 HB2 LEU A2029 -7.989 -9.885 1.205 1.00 0.00 H new ATOM 0 HB3 LEU A2029 -6.247 -9.706 1.270 1.00 0.00 H new ATOM 0 HG LEU A2029 -6.574 -8.895 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A2029 -8.592 -7.538 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A2029 -8.965 -9.274 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A2029 -9.249 -8.197 -0.005 1.00 0.00 H new ATOM 0 HD21 LEU A2029 -6.706 -6.574 -0.286 1.00 0.00 H new ATOM 0 HD22 LEU A2029 -7.258 -7.259 1.262 1.00 0.00 H new ATOM 0 HD23 LEU A2029 -5.616 -7.606 0.670 1.00 0.00 H new ATOM 1489 N SER A2030 -8.247 -11.543 -2.105 1.00 0.00 N ATOM 1490 CA SER A2030 -9.436 -12.026 -2.814 1.00 0.00 C ATOM 1491 C SER A2030 -9.441 -13.559 -2.862 1.00 0.00 C ATOM 1492 O SER A2030 -10.488 -14.158 -3.101 1.00 0.00 O ATOM 1493 CB SER A2030 -9.641 -11.355 -4.178 1.00 0.00 C ATOM 1494 OG SER A2030 -8.746 -11.787 -5.182 1.00 0.00 O ATOM 0 H SER A2030 -7.544 -11.081 -2.682 1.00 0.00 H new ATOM 0 HA SER A2030 -10.315 -11.723 -2.244 1.00 0.00 H new ATOM 0 HB2 SER A2030 -10.661 -11.544 -4.512 1.00 0.00 H new ATOM 0 HB3 SER A2030 -9.539 -10.276 -4.058 1.00 0.00 H new ATOM 0 HG SER A2030 -7.933 -12.142 -4.765 1.00 0.00 H new ATOM 1500 N SER A2031 -8.285 -14.192 -2.625 1.00 0.00 N ATOM 1501 CA SER A2031 -8.095 -15.633 -2.593 1.00 0.00 C ATOM 1502 C SER A2031 -8.246 -16.145 -1.156 1.00 0.00 C ATOM 1503 O SER A2031 -8.339 -17.357 -0.965 1.00 0.00 O ATOM 1504 CB SER A2031 -6.745 -16.017 -3.218 1.00 0.00 C ATOM 1505 OG SER A2031 -6.938 -16.402 -4.575 1.00 0.00 O ATOM 0 H SER A2031 -7.421 -13.682 -2.443 1.00 0.00 H new ATOM 0 HA SER A2031 -8.865 -16.116 -3.196 1.00 0.00 H new ATOM 0 HB2 SER A2031 -6.055 -15.175 -3.163 1.00 0.00 H new ATOM 0 HB3 SER A2031 -6.294 -16.836 -2.658 1.00 0.00 H new ATOM 0 HG SER A2031 -6.076 -16.645 -4.972 1.00 0.00 H new