USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=22 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+ -174:sc= 2.61 (180deg=2.09) USER MOD Set 1.2: A2015 TYR OH : rot -132:sc= 0.918 USER MOD Set 2.1: A1964 GLN : amide:sc= 0.691 K(o=2.2,f=1.4) USER MOD Set 2.2: A2002 THR OG1 : rot 67:sc= 1.48 USER MOD Single : A1955 SER OG : rot 31:sc= 0.234 USER MOD Single : A1958 LYS NZ :NH3+ 167:sc= 1.3 (180deg=1.24) USER MOD Single : A1959 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1962 LYS NZ :NH3+ -163:sc= 1.26 (180deg=0.906) USER MOD Single : A1963 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A1970 TYR OH : rot 180:sc= 0 USER MOD Single : A1971 THR OG1 : rot 165:sc= 1.39 USER MOD Single : A1974 SER OG : rot 180:sc= 0 USER MOD Single : A1980 GLN : amide:sc= 0.568 K(o=0.57,f=-6.6!) USER MOD Single : A1981 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0213) USER MOD Single : A1989 SER OG : rot 180:sc= 0 USER MOD Single : A1996 THR OG1 : rot 171:sc= 0.321 USER MOD Single : A1997 THR OG1 : rot 180:sc= 0 USER MOD Single : A1998 THR OG1 : rot 180:sc= 0 USER MOD Single : A2000 ASN : amide:sc= -0.0171 K(o=-0.017,f=-7.2!) 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=-0.00707 K(o=-0.0071,f=-0.85) USER MOD Single : A2006 ASN : amide:sc=-0.00829 X(o=-0.0083,f=-0.29) USER MOD Single : A2008 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2010 THR OG1 : rot 180:sc= 0 USER MOD Single : A2013 TYR OH : rot 180:sc= 0 USER MOD Single : A2017 THR OG1 : rot -84:sc= 0.304 USER MOD Single : A2022 SER OG : rot -130:sc=-0.00297 USER MOD Single : A2024 TYR OH : rot 180:sc= 0 USER MOD Single : A2027 GLN : amide:sc= -0.112 K(o=-0.11,f=-0.63) USER MOD Single : A2030 SER OG : rot 180:sc= 0 USER MOD Single : A2031 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 285 N SER A1955 -8.293 -0.111 -5.839 1.00 0.00 N ATOM 286 CA SER A1955 -8.033 1.302 -5.621 1.00 0.00 C ATOM 287 C SER A1955 -8.031 1.663 -4.138 1.00 0.00 C ATOM 288 O SER A1955 -7.257 2.531 -3.743 1.00 0.00 O ATOM 289 CB SER A1955 -8.997 2.152 -6.442 1.00 0.00 C ATOM 290 OG SER A1955 -8.941 1.722 -7.791 1.00 0.00 O ATOM 0 HA SER A1955 -7.026 1.524 -5.973 1.00 0.00 H new ATOM 0 HB2 SER A1955 -10.011 2.054 -6.055 1.00 0.00 H new ATOM 0 HB3 SER A1955 -8.728 3.206 -6.369 1.00 0.00 H new ATOM 0 HG SER A1955 -8.740 0.763 -7.821 1.00 0.00 H new ATOM 296 N GLU A1956 -8.873 1.002 -3.337 1.00 0.00 N ATOM 297 CA GLU A1956 -8.969 1.241 -1.900 1.00 0.00 C ATOM 298 C GLU A1956 -7.631 0.887 -1.260 1.00 0.00 C ATOM 299 O GLU A1956 -7.050 1.706 -0.551 1.00 0.00 O ATOM 300 CB GLU A1956 -10.113 0.407 -1.298 1.00 0.00 C ATOM 301 CG GLU A1956 -11.462 0.849 -1.876 1.00 0.00 C ATOM 302 CD GLU A1956 -11.895 2.177 -1.258 1.00 0.00 C ATOM 303 OE1 GLU A1956 -12.351 2.217 -0.094 1.00 0.00 O ATOM 304 OE2 GLU A1956 -11.704 3.225 -1.912 1.00 0.00 O ATOM 0 H GLU A1956 -9.511 0.281 -3.674 1.00 0.00 H new ATOM 0 HA GLU A1956 -9.192 2.290 -1.706 1.00 0.00 H new ATOM 0 HB2 GLU A1956 -9.950 -0.650 -1.508 1.00 0.00 H new ATOM 0 HB3 GLU A1956 -10.121 0.519 -0.214 1.00 0.00 H new ATOM 0 HG2 GLU A1956 -11.385 0.952 -2.958 1.00 0.00 H new ATOM 0 HG3 GLU A1956 -12.216 0.086 -1.681 1.00 0.00 H new ATOM 311 N ILE A1957 -7.112 -0.309 -1.558 1.00 0.00 N ATOM 312 CA ILE A1957 -5.837 -0.758 -1.024 1.00 0.00 C ATOM 313 C ILE A1957 -4.776 0.233 -1.462 1.00 0.00 C ATOM 314 O ILE A1957 -4.004 0.710 -0.642 1.00 0.00 O ATOM 315 CB ILE A1957 -5.499 -2.154 -1.572 1.00 0.00 C ATOM 316 CG1 ILE A1957 -6.542 -3.190 -1.130 1.00 0.00 C ATOM 317 CG2 ILE A1957 -4.080 -2.617 -1.175 1.00 0.00 C ATOM 318 CD1 ILE A1957 -6.602 -4.330 -2.155 1.00 0.00 C ATOM 0 H ILE A1957 -7.566 -0.984 -2.173 1.00 0.00 H new ATOM 0 HA ILE A1957 -5.882 -0.816 0.063 1.00 0.00 H new ATOM 0 HB ILE A1957 -5.522 -2.074 -2.659 1.00 0.00 H new ATOM 0 HG12 ILE A1957 -6.284 -3.584 -0.147 1.00 0.00 H new ATOM 0 HG13 ILE A1957 -7.521 -2.719 -1.037 1.00 0.00 H new ATOM 0 HG21 ILE A1957 -3.892 -3.608 -1.587 1.00 0.00 H new ATOM 0 HG22 ILE A1957 -3.345 -1.915 -1.569 1.00 0.00 H new ATOM 0 HG23 ILE A1957 -4.000 -2.655 -0.089 1.00 0.00 H new ATOM 0 HD11 ILE A1957 -7.343 -5.064 -1.839 1.00 0.00 H new ATOM 0 HD12 ILE A1957 -6.881 -3.929 -3.129 1.00 0.00 H new ATOM 0 HD13 ILE A1957 -5.625 -4.808 -2.225 1.00 0.00 H new ATOM 330 N LYS A1958 -4.723 0.545 -2.758 1.00 0.00 N ATOM 331 CA LYS A1958 -3.743 1.456 -3.312 1.00 0.00 C ATOM 332 C LYS A1958 -3.680 2.779 -2.547 1.00 0.00 C ATOM 333 O LYS A1958 -2.575 3.221 -2.220 1.00 0.00 O ATOM 334 CB LYS A1958 -4.053 1.657 -4.792 1.00 0.00 C ATOM 335 CG LYS A1958 -3.021 2.559 -5.472 1.00 0.00 C ATOM 336 CD LYS A1958 -3.378 2.780 -6.937 1.00 0.00 C ATOM 337 CE LYS A1958 -4.742 3.465 -7.098 1.00 0.00 C ATOM 338 NZ LYS A1958 -4.905 3.978 -8.468 1.00 0.00 N ATOM 0 H LYS A1958 -5.368 0.165 -3.451 1.00 0.00 H new ATOM 0 HA LYS A1958 -2.749 1.020 -3.208 1.00 0.00 H new ATOM 0 HB2 LYS A1958 -4.076 0.689 -5.293 1.00 0.00 H new ATOM 0 HB3 LYS A1958 -5.045 2.095 -4.899 1.00 0.00 H new ATOM 0 HG2 LYS A1958 -2.973 3.518 -4.956 1.00 0.00 H new ATOM 0 HG3 LYS A1958 -2.032 2.107 -5.398 1.00 0.00 H new ATOM 0 HD2 LYS A1958 -2.608 3.389 -7.410 1.00 0.00 H new ATOM 0 HD3 LYS A1958 -3.390 1.822 -7.456 1.00 0.00 H new ATOM 0 HE2 LYS A1958 -5.539 2.757 -6.872 1.00 0.00 H new ATOM 0 HE3 LYS A1958 -4.830 4.284 -6.384 1.00 0.00 H new ATOM 0 HZ1 LYS A1958 -5.900 4.237 -8.626 1.00 0.00 H new ATOM 0 HZ2 LYS A1958 -4.304 4.817 -8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A1958 -4.627 3.243 -9.149 1.00 0.00 H new ATOM 352 N GLN A1959 -4.821 3.429 -2.286 1.00 0.00 N ATOM 353 CA GLN A1959 -4.788 4.692 -1.561 1.00 0.00 C ATOM 354 C GLN A1959 -4.308 4.480 -0.115 1.00 0.00 C ATOM 355 O GLN A1959 -3.528 5.295 0.375 1.00 0.00 O ATOM 356 CB GLN A1959 -6.112 5.478 -1.656 1.00 0.00 C ATOM 357 CG GLN A1959 -7.358 4.775 -1.098 1.00 0.00 C ATOM 358 CD GLN A1959 -8.562 5.709 -1.019 1.00 0.00 C ATOM 359 OE1 GLN A1959 -9.175 6.067 -2.022 1.00 0.00 O ATOM 360 NE2 GLN A1959 -8.947 6.111 0.181 1.00 0.00 N ATOM 0 H GLN A1959 -5.750 3.108 -2.559 1.00 0.00 H new ATOM 0 HA GLN A1959 -4.054 5.331 -2.052 1.00 0.00 H new ATOM 0 HB2 GLN A1959 -5.988 6.424 -1.129 1.00 0.00 H new ATOM 0 HB3 GLN A1959 -6.294 5.718 -2.704 1.00 0.00 H new ATOM 0 HG2 GLN A1959 -7.604 3.921 -1.729 1.00 0.00 H new ATOM 0 HG3 GLN A1959 -7.138 4.384 -0.104 1.00 0.00 H new ATOM 0 HE21 GLN A1959 -8.433 5.810 1.009 1.00 0.00 H new ATOM 0 HE22 GLN A1959 -9.758 6.722 0.278 1.00 0.00 H new ATOM 369 N VAL A1960 -4.709 3.390 0.553 1.00 0.00 N ATOM 370 CA VAL A1960 -4.291 3.116 1.926 1.00 0.00 C ATOM 371 C VAL A1960 -2.792 2.884 1.955 1.00 0.00 C ATOM 372 O VAL A1960 -2.107 3.456 2.797 1.00 0.00 O ATOM 373 CB VAL A1960 -5.040 1.906 2.507 1.00 0.00 C ATOM 374 CG1 VAL A1960 -4.414 1.439 3.836 1.00 0.00 C ATOM 375 CG2 VAL A1960 -6.506 2.264 2.730 1.00 0.00 C ATOM 0 H VAL A1960 -5.327 2.682 0.157 1.00 0.00 H new ATOM 0 HA VAL A1960 -4.537 3.977 2.547 1.00 0.00 H new ATOM 0 HB VAL A1960 -4.963 1.088 1.790 1.00 0.00 H new ATOM 0 HG11 VAL A1960 -4.969 0.582 4.218 1.00 0.00 H new ATOM 0 HG12 VAL A1960 -3.375 1.154 3.669 1.00 0.00 H new ATOM 0 HG13 VAL A1960 -4.455 2.251 4.562 1.00 0.00 H new ATOM 0 HG21 VAL A1960 -7.032 1.403 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A1960 -6.575 3.099 3.427 1.00 0.00 H new ATOM 0 HG23 VAL A1960 -6.960 2.546 1.780 1.00 0.00 H new ATOM 385 N LEU A1961 -2.257 2.072 1.041 1.00 0.00 N ATOM 386 CA LEU A1961 -0.838 1.788 0.972 1.00 0.00 C ATOM 387 C LEU A1961 -0.067 3.099 0.999 1.00 0.00 C ATOM 388 O LEU A1961 0.899 3.207 1.745 1.00 0.00 O ATOM 389 CB LEU A1961 -0.470 1.068 -0.325 1.00 0.00 C ATOM 390 CG LEU A1961 -0.879 -0.387 -0.486 1.00 0.00 C ATOM 391 CD1 LEU A1961 -0.405 -0.841 -1.867 1.00 0.00 C ATOM 392 CD2 LEU A1961 -0.330 -1.246 0.650 1.00 0.00 C ATOM 0 H LEU A1961 -2.807 1.594 0.327 1.00 0.00 H new ATOM 0 HA LEU A1961 -0.587 1.152 1.821 1.00 0.00 H new ATOM 0 HB2 LEU A1961 -0.907 1.629 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A1961 0.613 1.123 -0.439 1.00 0.00 H new ATOM 0 HG LEU A1961 -1.961 -0.500 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A1961 -0.681 -1.884 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A1961 -0.874 -0.224 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A1961 0.678 -0.738 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A1961 -0.640 -2.281 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A1961 0.759 -1.190 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A1961 -0.716 -0.881 1.602 1.00 0.00 H new ATOM 404 N LYS A1962 -0.497 4.078 0.195 1.00 0.00 N ATOM 405 CA LYS A1962 0.138 5.377 0.113 1.00 0.00 C ATOM 406 C LYS A1962 0.267 5.980 1.503 1.00 0.00 C ATOM 407 O LYS A1962 1.354 6.396 1.886 1.00 0.00 O ATOM 408 CB LYS A1962 -0.670 6.286 -0.827 1.00 0.00 C ATOM 409 CG LYS A1962 0.201 7.435 -1.337 1.00 0.00 C ATOM 410 CD LYS A1962 -0.581 8.443 -2.176 1.00 0.00 C ATOM 411 CE LYS A1962 -0.982 7.925 -3.542 1.00 0.00 C ATOM 412 NZ LYS A1962 -2.379 8.243 -3.901 1.00 0.00 N ATOM 0 H LYS A1962 -1.305 3.979 -0.419 1.00 0.00 H new ATOM 0 HA LYS A1962 1.142 5.273 -0.297 1.00 0.00 H new ATOM 0 HB2 LYS A1962 -1.047 5.706 -1.669 1.00 0.00 H new ATOM 0 HB3 LYS A1962 -1.537 6.685 -0.301 1.00 0.00 H new ATOM 0 HG2 LYS A1962 0.651 7.948 -0.487 1.00 0.00 H new ATOM 0 HG3 LYS A1962 1.018 7.029 -1.934 1.00 0.00 H new ATOM 0 HD2 LYS A1962 -1.479 8.735 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A1962 0.022 9.342 -2.302 1.00 0.00 H new ATOM 0 HE2 LYS A1962 -0.316 8.349 -4.293 1.00 0.00 H new ATOM 0 HE3 LYS A1962 -0.845 6.844 -3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A1962 -2.682 7.635 -4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A1962 -2.995 8.077 -3.079 1.00 0.00 H new ATOM 0 HZ3 LYS A1962 -2.445 9.240 -4.188 1.00 0.00 H new ATOM 426 N GLN A1963 -0.833 6.002 2.248 1.00 0.00 N ATOM 427 CA GLN A1963 -0.906 6.558 3.586 1.00 0.00 C ATOM 428 C GLN A1963 -0.023 5.818 4.588 1.00 0.00 C ATOM 429 O GLN A1963 0.555 6.432 5.475 1.00 0.00 O ATOM 430 CB GLN A1963 -2.394 6.602 4.017 1.00 0.00 C ATOM 431 CG GLN A1963 -2.782 5.589 5.107 1.00 0.00 C ATOM 432 CD GLN A1963 -4.273 5.397 5.327 1.00 0.00 C ATOM 433 OE1 GLN A1963 -5.126 5.613 4.461 1.00 0.00 O ATOM 434 NE2 GLN A1963 -4.616 4.890 6.495 1.00 0.00 N ATOM 0 H GLN A1963 -1.722 5.621 1.924 1.00 0.00 H new ATOM 0 HA GLN A1963 -0.506 7.572 3.571 1.00 0.00 H new ATOM 0 HB2 GLN A1963 -2.624 7.605 4.375 1.00 0.00 H new ATOM 0 HB3 GLN A1963 -3.017 6.426 3.140 1.00 0.00 H new ATOM 0 HG2 GLN A1963 -2.344 4.624 4.853 1.00 0.00 H new ATOM 0 HG3 GLN A1963 -2.332 5.906 6.048 1.00 0.00 H new ATOM 0 HE21 GLN A1963 -3.904 4.715 7.204 1.00 0.00 H new ATOM 0 HE22 GLN A1963 -5.593 4.673 6.689 1.00 0.00 H new ATOM 443 N GLN A1964 0.071 4.495 4.466 1.00 0.00 N ATOM 444 CA GLN A1964 0.847 3.688 5.393 1.00 0.00 C ATOM 445 C GLN A1964 2.330 3.963 5.169 1.00 0.00 C ATOM 446 O GLN A1964 3.126 4.062 6.099 1.00 0.00 O ATOM 447 CB GLN A1964 0.473 2.198 5.223 1.00 0.00 C ATOM 448 CG GLN A1964 -1.017 1.912 5.489 1.00 0.00 C ATOM 449 CD GLN A1964 -1.280 0.638 6.296 1.00 0.00 C ATOM 450 OE1 GLN A1964 -1.555 0.684 7.491 1.00 0.00 O ATOM 451 NE2 GLN A1964 -1.267 -0.525 5.666 1.00 0.00 N ATOM 0 H GLN A1964 -0.386 3.960 3.727 1.00 0.00 H new ATOM 0 HA GLN A1964 0.620 3.952 6.426 1.00 0.00 H new ATOM 0 HB2 GLN A1964 0.722 1.881 4.210 1.00 0.00 H new ATOM 0 HB3 GLN A1964 1.078 1.598 5.903 1.00 0.00 H new ATOM 0 HG2 GLN A1964 -1.448 2.760 6.021 1.00 0.00 H new ATOM 0 HG3 GLN A1964 -1.537 1.837 4.534 1.00 0.00 H new ATOM 0 HE21 GLN A1964 -1.039 -0.564 4.673 1.00 0.00 H new ATOM 0 HE22 GLN A1964 -1.485 -1.382 6.173 1.00 0.00 H new ATOM 460 N LEU A1965 2.700 4.063 3.896 1.00 0.00 N ATOM 461 CA LEU A1965 4.069 4.309 3.480 1.00 0.00 C ATOM 462 C LEU A1965 4.475 5.753 3.774 1.00 0.00 C ATOM 463 O LEU A1965 5.635 5.991 4.091 1.00 0.00 O ATOM 464 CB LEU A1965 4.224 3.885 2.001 1.00 0.00 C ATOM 465 CG LEU A1965 4.726 4.962 1.040 1.00 0.00 C ATOM 466 CD1 LEU A1965 6.256 5.013 1.042 1.00 0.00 C ATOM 467 CD2 LEU A1965 4.262 4.657 -0.374 1.00 0.00 C ATOM 0 H LEU A1965 2.047 3.974 3.118 1.00 0.00 H new ATOM 0 HA LEU A1965 4.767 3.703 4.058 1.00 0.00 H new ATOM 0 HB2 LEU A1965 4.911 3.039 1.957 1.00 0.00 H new ATOM 0 HB3 LEU A1965 3.258 3.530 1.643 1.00 0.00 H new ATOM 0 HG LEU A1965 4.325 5.920 1.370 1.00 0.00 H new ATOM 0 HD11 LEU A1965 6.595 5.786 0.352 1.00 0.00 H new ATOM 0 HD12 LEU A1965 6.611 5.242 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A1965 6.653 4.047 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A1965 4.625 5.430 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A1965 4.655 3.689 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A1965 3.173 4.632 -0.402 1.00 0.00 H new ATOM 479 N ALA A1966 3.529 6.692 3.715 1.00 0.00 N ATOM 480 CA ALA A1966 3.790 8.097 3.953 1.00 0.00 C ATOM 481 C ALA A1966 4.471 8.316 5.292 1.00 0.00 C ATOM 482 O ALA A1966 5.528 8.934 5.368 1.00 0.00 O ATOM 483 CB ALA A1966 2.490 8.894 3.873 1.00 0.00 C ATOM 0 H ALA A1966 2.553 6.488 3.498 1.00 0.00 H new ATOM 0 HA ALA A1966 4.469 8.451 3.178 1.00 0.00 H new ATOM 0 HB1 ALA A1966 2.698 9.949 4.053 1.00 0.00 H new ATOM 0 HB2 ALA A1966 2.051 8.775 2.883 1.00 0.00 H new ATOM 0 HB3 ALA A1966 1.792 8.528 4.626 1.00 0.00 H new ATOM 489 N GLU A1967 3.907 7.748 6.347 1.00 0.00 N ATOM 490 CA GLU A1967 4.465 7.908 7.685 1.00 0.00 C ATOM 491 C GLU A1967 5.817 7.224 7.809 1.00 0.00 C ATOM 492 O GLU A1967 6.689 7.677 8.549 1.00 0.00 O ATOM 493 CB GLU A1967 3.521 7.308 8.714 1.00 0.00 C ATOM 494 CG GLU A1967 2.108 7.805 8.478 1.00 0.00 C ATOM 495 CD GLU A1967 1.284 7.522 9.723 1.00 0.00 C ATOM 496 OE1 GLU A1967 0.923 6.330 9.896 1.00 0.00 O ATOM 497 OE2 GLU A1967 1.053 8.433 10.543 1.00 0.00 O ATOM 0 H GLU A1967 3.065 7.173 6.305 1.00 0.00 H new ATOM 0 HA GLU A1967 4.593 8.976 7.863 1.00 0.00 H new ATOM 0 HB2 GLU A1967 3.547 6.220 8.652 1.00 0.00 H new ATOM 0 HB3 GLU A1967 3.847 7.578 9.719 1.00 0.00 H new ATOM 0 HG2 GLU A1967 2.113 8.873 8.262 1.00 0.00 H new ATOM 0 HG3 GLU A1967 1.671 7.307 7.613 1.00 0.00 H new ATOM 504 N ALA A1968 5.979 6.116 7.085 1.00 0.00 N ATOM 505 CA ALA A1968 7.213 5.347 7.076 1.00 0.00 C ATOM 506 C ALA A1968 8.346 6.231 6.548 1.00 0.00 C ATOM 507 O ALA A1968 9.499 6.074 6.949 1.00 0.00 O ATOM 508 CB ALA A1968 7.035 4.092 6.229 1.00 0.00 C ATOM 0 H ALA A1968 5.250 5.729 6.486 1.00 0.00 H new ATOM 0 HA ALA A1968 7.468 5.027 8.086 1.00 0.00 H new ATOM 0 HB1 ALA A1968 7.963 3.520 6.226 1.00 0.00 H new ATOM 0 HB2 ALA A1968 6.234 3.482 6.647 1.00 0.00 H new ATOM 0 HB3 ALA A1968 6.780 4.375 5.208 1.00 0.00 H new ATOM 514 N LEU A1969 8.011 7.156 5.639 1.00 0.00 N ATOM 515 CA LEU A1969 8.931 8.107 5.037 1.00 0.00 C ATOM 516 C LEU A1969 8.780 9.494 5.692 1.00 0.00 C ATOM 517 O LEU A1969 9.255 10.482 5.136 1.00 0.00 O ATOM 518 CB LEU A1969 8.738 8.201 3.508 1.00 0.00 C ATOM 519 CG LEU A1969 8.966 6.919 2.691 1.00 0.00 C ATOM 520 CD1 LEU A1969 9.085 7.279 1.207 1.00 0.00 C ATOM 521 CD2 LEU A1969 10.233 6.163 3.103 1.00 0.00 C ATOM 0 H LEU A1969 7.056 7.259 5.296 1.00 0.00 H new ATOM 0 HA LEU A1969 9.943 7.744 5.216 1.00 0.00 H new ATOM 0 HB2 LEU A1969 7.722 8.548 3.316 1.00 0.00 H new ATOM 0 HB3 LEU A1969 9.413 8.968 3.129 1.00 0.00 H new ATOM 0 HG LEU A1969 8.112 6.269 2.881 1.00 0.00 H new ATOM 0 HD11 LEU A1969 9.247 6.372 0.624 1.00 0.00 H new ATOM 0 HD12 LEU A1969 8.167 7.764 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A1969 9.926 7.957 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A1969 10.338 5.268 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A1969 11.102 6.805 2.960 1.00 0.00 H new ATOM 0 HD23 LEU A1969 10.161 5.878 4.153 1.00 0.00 H new ATOM 533 N TYR A1970 8.103 9.600 6.843 1.00 0.00 N ATOM 534 CA TYR A1970 7.869 10.832 7.595 1.00 0.00 C ATOM 535 C TYR A1970 7.319 11.972 6.715 1.00 0.00 C ATOM 536 O TYR A1970 7.766 13.120 6.800 1.00 0.00 O ATOM 537 CB TYR A1970 9.158 11.173 8.365 1.00 0.00 C ATOM 538 CG TYR A1970 9.009 12.156 9.509 1.00 0.00 C ATOM 539 CD1 TYR A1970 8.158 11.848 10.585 1.00 0.00 C ATOM 540 CD2 TYR A1970 9.769 13.342 9.538 1.00 0.00 C ATOM 541 CE1 TYR A1970 8.060 12.720 11.679 1.00 0.00 C ATOM 542 CE2 TYR A1970 9.685 14.215 10.639 1.00 0.00 C ATOM 543 CZ TYR A1970 8.829 13.906 11.718 1.00 0.00 C ATOM 544 OH TYR A1970 8.797 14.708 12.820 1.00 0.00 O ATOM 0 H TYR A1970 7.684 8.787 7.294 1.00 0.00 H new ATOM 0 HA TYR A1970 7.072 10.685 8.323 1.00 0.00 H new ATOM 0 HB2 TYR A1970 9.577 10.248 8.760 1.00 0.00 H new ATOM 0 HB3 TYR A1970 9.884 11.576 7.658 1.00 0.00 H new ATOM 0 HD1 TYR A1970 7.578 10.937 10.569 1.00 0.00 H new ATOM 0 HD2 TYR A1970 10.420 13.583 8.711 1.00 0.00 H new ATOM 0 HE1 TYR A1970 7.394 12.484 12.496 1.00 0.00 H new ATOM 0 HE2 TYR A1970 10.275 15.120 10.658 1.00 0.00 H new ATOM 0 HH TYR A1970 9.384 15.480 12.680 1.00 0.00 H new ATOM 554 N THR A1971 6.357 11.651 5.850 1.00 0.00 N ATOM 555 CA THR A1971 5.692 12.551 4.917 1.00 0.00 C ATOM 556 C THR A1971 4.178 12.295 4.957 1.00 0.00 C ATOM 557 O THR A1971 3.654 11.731 5.920 1.00 0.00 O ATOM 558 CB THR A1971 6.329 12.407 3.522 1.00 0.00 C ATOM 559 OG1 THR A1971 5.892 13.494 2.733 1.00 0.00 O ATOM 560 CG2 THR A1971 5.955 11.075 2.857 1.00 0.00 C ATOM 0 H THR A1971 6.002 10.697 5.780 1.00 0.00 H new ATOM 0 HA THR A1971 5.829 13.594 5.201 1.00 0.00 H new ATOM 0 HB THR A1971 7.415 12.412 3.619 1.00 0.00 H new ATOM 0 HG1 THR A1971 6.459 13.569 1.937 1.00 0.00 H new ATOM 0 HG21 THR A1971 6.425 11.014 1.875 1.00 0.00 H new ATOM 0 HG22 THR A1971 6.302 10.249 3.477 1.00 0.00 H new ATOM 0 HG23 THR A1971 4.872 11.015 2.745 1.00 0.00 H new ATOM 568 N GLU A1972 3.465 12.782 3.942 1.00 0.00 N ATOM 569 CA GLU A1972 2.040 12.677 3.717 1.00 0.00 C ATOM 570 C GLU A1972 1.789 12.015 2.369 1.00 0.00 C ATOM 571 O GLU A1972 2.515 12.234 1.400 1.00 0.00 O ATOM 572 CB GLU A1972 1.413 14.075 3.793 1.00 0.00 C ATOM 573 CG GLU A1972 1.898 15.031 2.679 1.00 0.00 C ATOM 574 CD GLU A1972 1.593 16.500 2.954 1.00 0.00 C ATOM 575 OE1 GLU A1972 1.086 16.824 4.049 1.00 0.00 O ATOM 576 OE2 GLU A1972 1.946 17.361 2.107 1.00 0.00 O ATOM 0 H GLU A1972 3.920 13.306 3.194 1.00 0.00 H new ATOM 0 HA GLU A1972 1.576 12.058 4.484 1.00 0.00 H new ATOM 0 HB2 GLU A1972 0.329 13.982 3.734 1.00 0.00 H new ATOM 0 HB3 GLU A1972 1.643 14.515 4.763 1.00 0.00 H new ATOM 0 HG2 GLU A1972 2.974 14.910 2.552 1.00 0.00 H new ATOM 0 HG3 GLU A1972 1.432 14.743 1.737 1.00 0.00 H new ATOM 583 N GLU A1973 0.750 11.189 2.292 1.00 0.00 N ATOM 584 CA GLU A1973 0.383 10.516 1.053 1.00 0.00 C ATOM 585 C GLU A1973 -0.038 11.528 0.001 1.00 0.00 C ATOM 586 O GLU A1973 0.013 11.246 -1.192 1.00 0.00 O ATOM 587 CB GLU A1973 -0.723 9.476 1.296 1.00 0.00 C ATOM 588 CG GLU A1973 -1.803 9.730 2.349 1.00 0.00 C ATOM 589 CD GLU A1973 -2.519 11.072 2.234 1.00 0.00 C ATOM 590 OE1 GLU A1973 -2.039 12.042 2.868 1.00 0.00 O ATOM 591 OE2 GLU A1973 -3.600 11.124 1.600 1.00 0.00 O ATOM 0 H GLU A1973 0.143 10.969 3.082 1.00 0.00 H new ATOM 0 HA GLU A1973 1.259 9.985 0.681 1.00 0.00 H new ATOM 0 HB2 GLU A1973 -1.231 9.317 0.345 1.00 0.00 H new ATOM 0 HB3 GLU A1973 -0.233 8.538 1.556 1.00 0.00 H new ATOM 0 HG2 GLU A1973 -2.545 8.934 2.285 1.00 0.00 H new ATOM 0 HG3 GLU A1973 -1.348 9.663 3.337 1.00 0.00 H new ATOM 598 N SER A1974 -0.397 12.728 0.425 1.00 0.00 N ATOM 599 CA SER A1974 -0.809 13.766 -0.484 1.00 0.00 C ATOM 600 C SER A1974 0.328 14.155 -1.438 1.00 0.00 C ATOM 601 O SER A1974 0.029 14.753 -2.472 1.00 0.00 O ATOM 602 CB SER A1974 -1.370 14.949 0.327 1.00 0.00 C ATOM 603 OG SER A1974 -2.568 15.442 -0.241 1.00 0.00 O ATOM 0 H SER A1974 -0.409 13.002 1.407 1.00 0.00 H new ATOM 0 HA SER A1974 -1.608 13.403 -1.130 1.00 0.00 H new ATOM 0 HB2 SER A1974 -1.555 14.633 1.354 1.00 0.00 H new ATOM 0 HB3 SER A1974 -0.629 15.748 0.368 1.00 0.00 H new ATOM 0 HG SER A1974 -2.901 16.191 0.296 1.00 0.00 H new ATOM 609 N GLU A1975 1.590 13.787 -1.181 1.00 0.00 N ATOM 610 CA GLU A1975 2.695 14.121 -2.094 1.00 0.00 C ATOM 611 C GLU A1975 3.329 12.890 -2.769 1.00 0.00 C ATOM 612 O GLU A1975 4.315 13.025 -3.500 1.00 0.00 O ATOM 613 CB GLU A1975 3.727 14.992 -1.375 1.00 0.00 C ATOM 614 CG GLU A1975 4.467 14.320 -0.209 1.00 0.00 C ATOM 615 CD GLU A1975 5.736 15.107 0.115 1.00 0.00 C ATOM 616 OE1 GLU A1975 5.709 16.359 0.049 1.00 0.00 O ATOM 617 OE2 GLU A1975 6.785 14.484 0.405 1.00 0.00 O ATOM 0 H GLU A1975 1.872 13.261 -0.354 1.00 0.00 H new ATOM 0 HA GLU A1975 2.272 14.697 -2.917 1.00 0.00 H new ATOM 0 HB2 GLU A1975 4.464 15.327 -2.105 1.00 0.00 H new ATOM 0 HB3 GLU A1975 3.224 15.883 -0.998 1.00 0.00 H new ATOM 0 HG2 GLU A1975 3.821 14.276 0.668 1.00 0.00 H new ATOM 0 HG3 GLU A1975 4.721 13.293 -0.470 1.00 0.00 H new ATOM 624 N ILE A1976 2.764 11.698 -2.573 1.00 0.00 N ATOM 625 CA ILE A1976 3.294 10.453 -3.127 1.00 0.00 C ATOM 626 C ILE A1976 2.558 10.054 -4.403 1.00 0.00 C ATOM 627 O ILE A1976 1.322 10.057 -4.444 1.00 0.00 O ATOM 628 CB ILE A1976 3.186 9.357 -2.047 1.00 0.00 C ATOM 629 CG1 ILE A1976 4.007 9.757 -0.809 1.00 0.00 C ATOM 630 CG2 ILE A1976 3.578 7.953 -2.555 1.00 0.00 C ATOM 631 CD1 ILE A1976 3.833 8.782 0.345 1.00 0.00 C ATOM 0 H ILE A1976 1.917 11.569 -2.019 1.00 0.00 H new ATOM 0 HA ILE A1976 4.339 10.591 -3.405 1.00 0.00 H new ATOM 0 HB ILE A1976 2.134 9.282 -1.772 1.00 0.00 H new ATOM 0 HG12 ILE A1976 5.062 9.811 -1.079 1.00 0.00 H new ATOM 0 HG13 ILE A1976 3.709 10.754 -0.486 1.00 0.00 H new ATOM 0 HG21 ILE A1976 3.479 7.232 -1.744 1.00 0.00 H new ATOM 0 HG22 ILE A1976 2.922 7.667 -3.377 1.00 0.00 H new ATOM 0 HG23 ILE A1976 4.611 7.967 -2.903 1.00 0.00 H new ATOM 0 HD11 ILE A1976 4.434 9.111 1.193 1.00 0.00 H new ATOM 0 HD12 ILE A1976 2.783 8.746 0.636 1.00 0.00 H new ATOM 0 HD13 ILE A1976 4.157 7.789 0.034 1.00 0.00 H new ATOM 643 N ALA A1977 3.309 9.655 -5.433 1.00 0.00 N ATOM 644 CA ALA A1977 2.739 9.210 -6.702 1.00 0.00 C ATOM 645 C ALA A1977 2.585 7.684 -6.669 1.00 0.00 C ATOM 646 O ALA A1977 3.392 6.971 -6.073 1.00 0.00 O ATOM 647 CB ALA A1977 3.601 9.690 -7.864 1.00 0.00 C ATOM 0 H ALA A1977 4.328 9.632 -5.408 1.00 0.00 H new ATOM 0 HA ALA A1977 1.750 9.644 -6.850 1.00 0.00 H new ATOM 0 HB1 ALA A1977 3.165 9.352 -8.804 1.00 0.00 H new ATOM 0 HB2 ALA A1977 3.648 10.779 -7.857 1.00 0.00 H new ATOM 0 HB3 ALA A1977 4.607 9.283 -7.763 1.00 0.00 H new ATOM 653 N GLU A1978 1.558 7.172 -7.349 1.00 0.00 N ATOM 654 CA GLU A1978 1.202 5.745 -7.421 1.00 0.00 C ATOM 655 C GLU A1978 2.080 4.927 -8.355 1.00 0.00 C ATOM 656 O GLU A1978 2.210 3.719 -8.184 1.00 0.00 O ATOM 657 CB GLU A1978 -0.284 5.623 -7.804 1.00 0.00 C ATOM 658 CG GLU A1978 -1.125 6.309 -6.722 1.00 0.00 C ATOM 659 CD GLU A1978 -2.637 6.254 -6.907 1.00 0.00 C ATOM 660 OE1 GLU A1978 -3.133 5.972 -8.025 1.00 0.00 O ATOM 661 OE2 GLU A1978 -3.315 6.483 -5.883 1.00 0.00 O ATOM 0 H GLU A1978 0.923 7.760 -7.888 1.00 0.00 H new ATOM 0 HA GLU A1978 1.379 5.318 -6.434 1.00 0.00 H new ATOM 0 HB2 GLU A1978 -0.464 6.087 -8.774 1.00 0.00 H new ATOM 0 HB3 GLU A1978 -0.567 4.574 -7.895 1.00 0.00 H new ATOM 0 HG2 GLU A1978 -0.881 5.857 -5.761 1.00 0.00 H new ATOM 0 HG3 GLU A1978 -0.825 7.355 -6.667 1.00 0.00 H new ATOM 668 N ASP A1979 2.716 5.605 -9.295 1.00 0.00 N ATOM 669 CA ASP A1979 3.618 5.084 -10.307 1.00 0.00 C ATOM 670 C ASP A1979 5.069 5.476 -10.008 1.00 0.00 C ATOM 671 O ASP A1979 5.944 5.202 -10.828 1.00 0.00 O ATOM 672 CB ASP A1979 3.147 5.529 -11.704 1.00 0.00 C ATOM 673 CG ASP A1979 3.007 7.040 -11.866 1.00 0.00 C ATOM 674 OD1 ASP A1979 3.995 7.702 -12.242 1.00 0.00 O ATOM 675 OD2 ASP A1979 1.882 7.559 -11.656 1.00 0.00 O ATOM 0 H ASP A1979 2.606 6.616 -9.376 1.00 0.00 H new ATOM 0 HA ASP A1979 3.594 3.994 -10.289 1.00 0.00 H new ATOM 0 HB2 ASP A1979 3.853 5.159 -12.448 1.00 0.00 H new ATOM 0 HB3 ASP A1979 2.186 5.062 -11.917 1.00 0.00 H new ATOM 680 N GLN A1980 5.337 6.114 -8.861 1.00 0.00 N ATOM 681 CA GLN A1980 6.681 6.525 -8.442 1.00 0.00 C ATOM 682 C GLN A1980 7.228 5.493 -7.464 1.00 0.00 C ATOM 683 O GLN A1980 6.480 4.954 -6.643 1.00 0.00 O ATOM 684 CB GLN A1980 6.670 7.909 -7.789 1.00 0.00 C ATOM 685 CG GLN A1980 8.016 8.360 -7.198 1.00 0.00 C ATOM 686 CD GLN A1980 9.151 8.479 -8.217 1.00 0.00 C ATOM 687 OE1 GLN A1980 9.605 7.502 -8.814 1.00 0.00 O ATOM 688 NE2 GLN A1980 9.638 9.686 -8.408 1.00 0.00 N ATOM 0 H GLN A1980 4.612 6.363 -8.188 1.00 0.00 H new ATOM 0 HA GLN A1980 7.318 6.585 -9.325 1.00 0.00 H new ATOM 0 HB2 GLN A1980 6.353 8.642 -8.531 1.00 0.00 H new ATOM 0 HB3 GLN A1980 5.922 7.914 -6.996 1.00 0.00 H new ATOM 0 HG2 GLN A1980 7.879 9.326 -6.712 1.00 0.00 H new ATOM 0 HG3 GLN A1980 8.313 7.653 -6.424 1.00 0.00 H new ATOM 0 HE21 GLN A1980 9.246 10.480 -7.902 1.00 0.00 H new ATOM 0 HE22 GLN A1980 10.408 9.828 -9.062 1.00 0.00 H new ATOM 697 N LYS A1981 8.530 5.240 -7.524 1.00 0.00 N ATOM 698 CA LYS A1981 9.209 4.269 -6.685 1.00 0.00 C ATOM 699 C LYS A1981 9.422 4.771 -5.268 1.00 0.00 C ATOM 700 O LYS A1981 9.902 5.882 -5.066 1.00 0.00 O ATOM 701 CB LYS A1981 10.511 3.818 -7.358 1.00 0.00 C ATOM 702 CG LYS A1981 10.134 3.256 -8.727 1.00 0.00 C ATOM 703 CD LYS A1981 11.135 2.282 -9.319 1.00 0.00 C ATOM 704 CE LYS A1981 10.361 1.612 -10.455 1.00 0.00 C ATOM 705 NZ LYS A1981 11.086 0.491 -11.065 1.00 0.00 N ATOM 0 H LYS A1981 9.155 5.717 -8.174 1.00 0.00 H new ATOM 0 HA LYS A1981 8.564 3.397 -6.582 1.00 0.00 H new ATOM 0 HB2 LYS A1981 11.202 4.655 -7.461 1.00 0.00 H new ATOM 0 HB3 LYS A1981 11.015 3.062 -6.756 1.00 0.00 H new ATOM 0 HG2 LYS A1981 9.169 2.756 -8.644 1.00 0.00 H new ATOM 0 HG3 LYS A1981 10.004 4.087 -9.421 1.00 0.00 H new ATOM 0 HD2 LYS A1981 12.023 2.795 -9.688 1.00 0.00 H new ATOM 0 HD3 LYS A1981 11.471 1.555 -8.580 1.00 0.00 H new ATOM 0 HE2 LYS A1981 9.405 1.253 -10.073 1.00 0.00 H new ATOM 0 HE3 LYS A1981 10.140 2.354 -11.222 1.00 0.00 H new ATOM 0 HZ1 LYS A1981 10.816 0.407 -12.066 1.00 0.00 H new ATOM 0 HZ2 LYS A1981 12.110 0.661 -10.996 1.00 0.00 H new ATOM 0 HZ3 LYS A1981 10.847 -0.390 -10.566 1.00 0.00 H new ATOM 719 N PHE A1982 9.149 3.916 -4.285 1.00 0.00 N ATOM 720 CA PHE A1982 9.320 4.258 -2.869 1.00 0.00 C ATOM 721 C PHE A1982 10.785 4.586 -2.600 1.00 0.00 C ATOM 722 O PHE A1982 11.112 5.516 -1.872 1.00 0.00 O ATOM 723 CB PHE A1982 8.888 3.100 -1.966 1.00 0.00 C ATOM 724 CG PHE A1982 7.602 2.428 -2.338 1.00 0.00 C ATOM 725 CD1 PHE A1982 6.454 3.212 -2.467 1.00 0.00 C ATOM 726 CD2 PHE A1982 7.543 1.040 -2.544 1.00 0.00 C ATOM 727 CE1 PHE A1982 5.245 2.600 -2.817 1.00 0.00 C ATOM 728 CE2 PHE A1982 6.321 0.431 -2.872 1.00 0.00 C ATOM 729 CZ PHE A1982 5.161 1.208 -3.007 1.00 0.00 C ATOM 0 H PHE A1982 8.804 2.969 -4.443 1.00 0.00 H new ATOM 0 HA PHE A1982 8.694 5.122 -2.647 1.00 0.00 H new ATOM 0 HB2 PHE A1982 9.680 2.351 -1.964 1.00 0.00 H new ATOM 0 HB3 PHE A1982 8.799 3.473 -0.946 1.00 0.00 H new ATOM 0 HD1 PHE A1982 6.498 4.278 -2.299 1.00 0.00 H new ATOM 0 HD2 PHE A1982 8.437 0.441 -2.450 1.00 0.00 H new ATOM 0 HE1 PHE A1982 4.361 3.207 -2.944 1.00 0.00 H new ATOM 0 HE2 PHE A1982 6.274 -0.638 -3.021 1.00 0.00 H new ATOM 0 HZ PHE A1982 4.217 0.745 -3.253 1.00 0.00 H new ATOM 739 N VAL A1983 11.687 3.794 -3.181 1.00 0.00 N ATOM 740 CA VAL A1983 13.131 3.943 -3.042 1.00 0.00 C ATOM 741 C VAL A1983 13.616 5.296 -3.556 1.00 0.00 C ATOM 742 O VAL A1983 14.659 5.764 -3.106 1.00 0.00 O ATOM 743 CB VAL A1983 13.847 2.785 -3.757 1.00 0.00 C ATOM 744 CG1 VAL A1983 13.652 1.489 -2.963 1.00 0.00 C ATOM 745 CG2 VAL A1983 13.340 2.577 -5.194 1.00 0.00 C ATOM 0 H VAL A1983 11.423 3.010 -3.777 1.00 0.00 H new ATOM 0 HA VAL A1983 13.376 3.906 -1.980 1.00 0.00 H new ATOM 0 HB VAL A1983 14.904 3.046 -3.813 1.00 0.00 H new ATOM 0 HG11 VAL A1983 14.160 0.670 -3.472 1.00 0.00 H new ATOM 0 HG12 VAL A1983 14.069 1.609 -1.963 1.00 0.00 H new ATOM 0 HG13 VAL A1983 12.588 1.265 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A1983 13.878 1.748 -5.653 1.00 0.00 H new ATOM 0 HG22 VAL A1983 12.274 2.351 -5.175 1.00 0.00 H new ATOM 0 HG23 VAL A1983 13.508 3.484 -5.774 1.00 0.00 H new ATOM 755 N ASP A1984 12.871 5.902 -4.486 1.00 0.00 N ATOM 756 CA ASP A1984 13.176 7.198 -5.069 1.00 0.00 C ATOM 757 C ASP A1984 12.876 8.273 -4.030 1.00 0.00 C ATOM 758 O ASP A1984 13.631 9.228 -3.888 1.00 0.00 O ATOM 759 CB ASP A1984 12.327 7.422 -6.334 1.00 0.00 C ATOM 760 CG ASP A1984 13.125 7.886 -7.549 1.00 0.00 C ATOM 761 OD1 ASP A1984 13.362 9.104 -7.707 1.00 0.00 O ATOM 762 OD2 ASP A1984 13.388 7.039 -8.435 1.00 0.00 O ATOM 0 H ASP A1984 12.017 5.487 -4.859 1.00 0.00 H new ATOM 0 HA ASP A1984 14.227 7.243 -5.355 1.00 0.00 H new ATOM 0 HB2 ASP A1984 11.815 6.493 -6.583 1.00 0.00 H new ATOM 0 HB3 ASP A1984 11.557 8.162 -6.115 1.00 0.00 H new ATOM 767 N LEU A1985 11.771 8.083 -3.290 1.00 0.00 N ATOM 768 CA LEU A1985 11.298 8.996 -2.250 1.00 0.00 C ATOM 769 C LEU A1985 12.161 8.881 -0.990 1.00 0.00 C ATOM 770 O LEU A1985 12.379 9.878 -0.302 1.00 0.00 O ATOM 771 CB LEU A1985 9.819 8.726 -1.889 1.00 0.00 C ATOM 772 CG LEU A1985 8.779 8.773 -3.030 1.00 0.00 C ATOM 773 CD1 LEU A1985 7.356 8.819 -2.462 1.00 0.00 C ATOM 774 CD2 LEU A1985 8.959 9.986 -3.949 1.00 0.00 C ATOM 0 H LEU A1985 11.170 7.267 -3.406 1.00 0.00 H new ATOM 0 HA LEU A1985 11.379 10.007 -2.649 1.00 0.00 H new ATOM 0 HB2 LEU A1985 9.762 7.742 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A1985 9.521 9.453 -1.134 1.00 0.00 H new ATOM 0 HG LEU A1985 8.937 7.866 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A1985 6.638 8.852 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU A1985 7.177 7.930 -1.858 1.00 0.00 H new ATOM 0 HD13 LEU A1985 7.240 9.708 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A1985 8.200 9.966 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A1985 8.856 10.902 -3.367 1.00 0.00 H new ATOM 0 HD23 LEU A1985 9.949 9.955 -4.403 1.00 0.00 H new ATOM 786 N GLY A1986 12.676 7.687 -0.687 1.00 0.00 N ATOM 787 CA GLY A1986 13.528 7.447 0.475 1.00 0.00 C ATOM 788 C GLY A1986 13.305 6.116 1.189 1.00 0.00 C ATOM 789 O GLY A1986 13.615 5.995 2.372 1.00 0.00 O ATOM 0 H GLY A1986 12.510 6.852 -1.249 1.00 0.00 H new ATOM 0 HA2 GLY A1986 14.569 7.499 0.157 1.00 0.00 H new ATOM 0 HA3 GLY A1986 13.372 8.254 1.191 1.00 0.00 H new ATOM 793 N LEU A1987 12.710 5.123 0.525 1.00 0.00 N ATOM 794 CA LEU A1987 12.445 3.810 1.112 1.00 0.00 C ATOM 795 C LEU A1987 13.720 2.996 1.107 1.00 0.00 C ATOM 796 O LEU A1987 14.327 2.811 0.052 1.00 0.00 O ATOM 797 CB LEU A1987 11.334 3.135 0.296 1.00 0.00 C ATOM 798 CG LEU A1987 10.529 1.992 0.931 1.00 0.00 C ATOM 799 CD1 LEU A1987 11.352 0.836 1.461 1.00 0.00 C ATOM 800 CD2 LEU A1987 9.622 2.518 2.037 1.00 0.00 C ATOM 0 H LEU A1987 12.397 5.209 -0.442 1.00 0.00 H new ATOM 0 HA LEU A1987 12.113 3.898 2.147 1.00 0.00 H new ATOM 0 HB2 LEU A1987 10.627 3.910 0.000 1.00 0.00 H new ATOM 0 HB3 LEU A1987 11.786 2.750 -0.618 1.00 0.00 H new ATOM 0 HG LEU A1987 9.941 1.586 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A1987 10.689 0.083 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A1987 11.926 0.394 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A1987 12.034 1.198 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A1987 9.062 1.691 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A1987 10.228 2.992 2.809 1.00 0.00 H new ATOM 0 HD23 LEU A1987 8.927 3.248 1.621 1.00 0.00 H new ATOM 812 N ASP A1988 14.132 2.536 2.284 1.00 0.00 N ATOM 813 CA ASP A1988 15.315 1.712 2.457 1.00 0.00 C ATOM 814 C ASP A1988 14.844 0.333 2.888 1.00 0.00 C ATOM 815 O ASP A1988 13.685 0.105 3.223 1.00 0.00 O ATOM 816 CB ASP A1988 16.289 2.280 3.489 1.00 0.00 C ATOM 817 CG ASP A1988 17.372 3.214 2.940 1.00 0.00 C ATOM 818 OD1 ASP A1988 17.215 3.789 1.844 1.00 0.00 O ATOM 819 OD2 ASP A1988 18.455 3.284 3.573 1.00 0.00 O ATOM 0 H ASP A1988 13.642 2.731 3.157 1.00 0.00 H new ATOM 0 HA ASP A1988 15.862 1.677 1.515 1.00 0.00 H new ATOM 0 HB2 ASP A1988 15.716 2.822 4.242 1.00 0.00 H new ATOM 0 HB3 ASP A1988 16.777 1.448 3.997 1.00 0.00 H new ATOM 824 N SER A1989 15.771 -0.602 2.904 1.00 0.00 N ATOM 825 CA SER A1989 15.542 -1.995 3.250 1.00 0.00 C ATOM 826 C SER A1989 14.874 -2.143 4.614 1.00 0.00 C ATOM 827 O SER A1989 13.954 -2.940 4.775 1.00 0.00 O ATOM 828 CB SER A1989 16.895 -2.706 3.202 1.00 0.00 C ATOM 829 OG SER A1989 16.792 -4.097 3.426 1.00 0.00 O ATOM 0 H SER A1989 16.744 -0.408 2.667 1.00 0.00 H new ATOM 0 HA SER A1989 14.852 -2.447 2.538 1.00 0.00 H new ATOM 0 HB2 SER A1989 17.357 -2.533 2.230 1.00 0.00 H new ATOM 0 HB3 SER A1989 17.556 -2.270 3.951 1.00 0.00 H new ATOM 0 HG SER A1989 17.683 -4.502 3.383 1.00 0.00 H new ATOM 835 N ILE A1990 15.321 -1.348 5.581 1.00 0.00 N ATOM 836 CA ILE A1990 14.832 -1.378 6.942 1.00 0.00 C ATOM 837 C ILE A1990 13.342 -1.031 6.970 1.00 0.00 C ATOM 838 O ILE A1990 12.530 -1.788 7.511 1.00 0.00 O ATOM 839 CB ILE A1990 15.698 -0.447 7.820 1.00 0.00 C ATOM 840 CG1 ILE A1990 17.203 -0.802 7.716 1.00 0.00 C ATOM 841 CG2 ILE A1990 15.266 -0.541 9.294 1.00 0.00 C ATOM 842 CD1 ILE A1990 17.981 -0.086 6.599 1.00 0.00 C ATOM 0 H ILE A1990 16.050 -0.651 5.430 1.00 0.00 H new ATOM 0 HA ILE A1990 14.921 -2.381 7.360 1.00 0.00 H new ATOM 0 HB ILE A1990 15.550 0.569 7.453 1.00 0.00 H new ATOM 0 HG12 ILE A1990 17.678 -0.572 8.670 1.00 0.00 H new ATOM 0 HG13 ILE A1990 17.294 -1.878 7.565 1.00 0.00 H new ATOM 0 HG21 ILE A1990 15.886 0.121 9.898 1.00 0.00 H new ATOM 0 HG22 ILE A1990 14.221 -0.244 9.387 1.00 0.00 H new ATOM 0 HG23 ILE A1990 15.384 -1.567 9.643 1.00 0.00 H new ATOM 0 HD11 ILE A1990 19.022 -0.408 6.617 1.00 0.00 H new ATOM 0 HD12 ILE A1990 17.541 -0.334 5.633 1.00 0.00 H new ATOM 0 HD13 ILE A1990 17.932 0.992 6.754 1.00 0.00 H new ATOM 854 N VAL A1991 13.005 0.111 6.367 1.00 0.00 N ATOM 855 CA VAL A1991 11.651 0.631 6.267 1.00 0.00 C ATOM 856 C VAL A1991 10.786 -0.360 5.482 1.00 0.00 C ATOM 857 O VAL A1991 9.640 -0.617 5.840 1.00 0.00 O ATOM 858 CB VAL A1991 11.662 2.029 5.616 1.00 0.00 C ATOM 859 CG1 VAL A1991 10.263 2.654 5.651 1.00 0.00 C ATOM 860 CG2 VAL A1991 12.605 2.994 6.346 1.00 0.00 C ATOM 0 H VAL A1991 13.695 0.716 5.921 1.00 0.00 H new ATOM 0 HA VAL A1991 11.221 0.744 7.262 1.00 0.00 H new ATOM 0 HB VAL A1991 12.002 1.884 4.591 1.00 0.00 H new ATOM 0 HG11 VAL A1991 10.293 3.640 5.187 1.00 0.00 H new ATOM 0 HG12 VAL A1991 9.566 2.017 5.106 1.00 0.00 H new ATOM 0 HG13 VAL A1991 9.933 2.750 6.685 1.00 0.00 H new ATOM 0 HG21 VAL A1991 12.582 3.967 5.854 1.00 0.00 H new ATOM 0 HG22 VAL A1991 12.283 3.103 7.382 1.00 0.00 H new ATOM 0 HG23 VAL A1991 13.621 2.599 6.321 1.00 0.00 H new ATOM 870 N GLY A1992 11.334 -0.975 4.433 1.00 0.00 N ATOM 871 CA GLY A1992 10.601 -1.925 3.619 1.00 0.00 C ATOM 872 C GLY A1992 10.126 -3.134 4.417 1.00 0.00 C ATOM 873 O GLY A1992 9.026 -3.632 4.180 1.00 0.00 O ATOM 0 H GLY A1992 12.296 -0.824 4.130 1.00 0.00 H new ATOM 0 HA2 GLY A1992 9.740 -1.428 3.172 1.00 0.00 H new ATOM 0 HA3 GLY A1992 11.235 -2.261 2.799 1.00 0.00 H new ATOM 877 N VAL A1993 10.933 -3.615 5.361 1.00 0.00 N ATOM 878 CA VAL A1993 10.588 -4.762 6.187 1.00 0.00 C ATOM 879 C VAL A1993 9.508 -4.371 7.196 1.00 0.00 C ATOM 880 O VAL A1993 8.543 -5.113 7.359 1.00 0.00 O ATOM 881 CB VAL A1993 11.858 -5.270 6.896 1.00 0.00 C ATOM 882 CG1 VAL A1993 11.567 -6.452 7.825 1.00 0.00 C ATOM 883 CG2 VAL A1993 12.978 -5.707 5.940 1.00 0.00 C ATOM 0 H VAL A1993 11.848 -3.216 5.572 1.00 0.00 H new ATOM 0 HA VAL A1993 10.189 -5.564 5.566 1.00 0.00 H new ATOM 0 HB VAL A1993 12.198 -4.404 7.463 1.00 0.00 H new ATOM 0 HG11 VAL A1993 12.492 -6.776 8.302 1.00 0.00 H new ATOM 0 HG12 VAL A1993 10.852 -6.147 8.589 1.00 0.00 H new ATOM 0 HG13 VAL A1993 11.150 -7.276 7.246 1.00 0.00 H new ATOM 0 HG21 VAL A1993 13.836 -6.051 6.518 1.00 0.00 H new ATOM 0 HG22 VAL A1993 12.619 -6.518 5.306 1.00 0.00 H new ATOM 0 HG23 VAL A1993 13.275 -4.863 5.317 1.00 0.00 H new ATOM 893 N GLU A1994 9.642 -3.242 7.894 1.00 0.00 N ATOM 894 CA GLU A1994 8.602 -2.873 8.855 1.00 0.00 C ATOM 895 C GLU A1994 7.283 -2.601 8.124 1.00 0.00 C ATOM 896 O GLU A1994 6.218 -3.028 8.582 1.00 0.00 O ATOM 897 CB GLU A1994 9.013 -1.692 9.751 1.00 0.00 C ATOM 898 CG GLU A1994 9.424 -0.438 8.970 1.00 0.00 C ATOM 899 CD GLU A1994 9.477 0.832 9.817 1.00 0.00 C ATOM 900 OE1 GLU A1994 8.399 1.344 10.206 1.00 0.00 O ATOM 901 OE2 GLU A1994 10.594 1.339 10.050 1.00 0.00 O ATOM 0 H GLU A1994 10.424 -2.592 7.819 1.00 0.00 H new ATOM 0 HA GLU A1994 8.459 -3.719 9.528 1.00 0.00 H new ATOM 0 HB2 GLU A1994 8.182 -1.442 10.411 1.00 0.00 H new ATOM 0 HB3 GLU A1994 9.843 -2.001 10.386 1.00 0.00 H new ATOM 0 HG2 GLU A1994 10.404 -0.606 8.523 1.00 0.00 H new ATOM 0 HG3 GLU A1994 8.722 -0.287 8.150 1.00 0.00 H new ATOM 908 N TRP A1995 7.344 -1.975 6.946 1.00 0.00 N ATOM 909 CA TRP A1995 6.166 -1.638 6.182 1.00 0.00 C ATOM 910 C TRP A1995 5.496 -2.874 5.597 1.00 0.00 C ATOM 911 O TRP A1995 4.267 -2.972 5.650 1.00 0.00 O ATOM 912 CB TRP A1995 6.554 -0.608 5.129 1.00 0.00 C ATOM 913 CG TRP A1995 5.382 0.037 4.475 1.00 0.00 C ATOM 914 CD1 TRP A1995 4.379 0.679 5.108 1.00 0.00 C ATOM 915 CD2 TRP A1995 5.083 0.144 3.058 1.00 0.00 C ATOM 916 NE1 TRP A1995 3.396 0.984 4.190 1.00 0.00 N ATOM 917 CE2 TRP A1995 3.766 0.651 2.904 1.00 0.00 C ATOM 918 CE3 TRP A1995 5.814 -0.126 1.889 1.00 0.00 C ATOM 919 CZ2 TRP A1995 3.163 0.775 1.643 1.00 0.00 C ATOM 920 CZ3 TRP A1995 5.240 0.026 0.616 1.00 0.00 C ATOM 921 CH2 TRP A1995 3.913 0.476 0.492 1.00 0.00 C ATOM 0 H TRP A1995 8.219 -1.692 6.504 1.00 0.00 H new ATOM 0 HA TRP A1995 5.413 -1.197 6.835 1.00 0.00 H new ATOM 0 HB2 TRP A1995 7.171 0.161 5.593 1.00 0.00 H new ATOM 0 HB3 TRP A1995 7.166 -1.091 4.367 1.00 0.00 H new ATOM 0 HD1 TRP A1995 4.350 0.916 6.161 1.00 0.00 H new ATOM 0 HE1 TRP A1995 2.500 1.406 4.434 1.00 0.00 H new ATOM 0 HE3 TRP A1995 6.839 -0.457 1.971 1.00 0.00 H new ATOM 0 HZ2 TRP A1995 2.135 1.096 1.558 1.00 0.00 H new ATOM 0 HZ3 TRP A1995 5.817 -0.203 -0.268 1.00 0.00 H new ATOM 0 HH2 TRP A1995 3.471 0.592 -0.486 1.00 0.00 H new ATOM 932 N THR A1996 6.263 -3.843 5.081 1.00 0.00 N ATOM 933 CA THR A1996 5.653 -5.052 4.528 1.00 0.00 C ATOM 934 C THR A1996 4.849 -5.760 5.614 1.00 0.00 C ATOM 935 O THR A1996 3.841 -6.393 5.298 1.00 0.00 O ATOM 936 CB THR A1996 6.664 -5.990 3.846 1.00 0.00 C ATOM 937 OG1 THR A1996 5.992 -6.769 2.873 1.00 0.00 O ATOM 938 CG2 THR A1996 7.341 -6.970 4.810 1.00 0.00 C ATOM 0 H THR A1996 7.282 -3.814 5.036 1.00 0.00 H new ATOM 0 HA THR A1996 4.977 -4.747 3.729 1.00 0.00 H new ATOM 0 HB THR A1996 7.431 -5.345 3.418 1.00 0.00 H new ATOM 0 HG1 THR A1996 6.649 -7.258 2.335 1.00 0.00 H new ATOM 0 HG21 THR A1996 8.040 -7.599 4.258 1.00 0.00 H new ATOM 0 HG22 THR A1996 7.881 -6.413 5.576 1.00 0.00 H new ATOM 0 HG23 THR A1996 6.585 -7.597 5.283 1.00 0.00 H new ATOM 946 N THR A1997 5.285 -5.664 6.873 1.00 0.00 N ATOM 947 CA THR A1997 4.566 -6.305 7.948 1.00 0.00 C ATOM 948 C THR A1997 3.249 -5.584 8.162 1.00 0.00 C ATOM 949 O THR A1997 2.222 -6.257 8.169 1.00 0.00 O ATOM 950 CB THR A1997 5.418 -6.390 9.224 1.00 0.00 C ATOM 951 OG1 THR A1997 6.422 -7.371 9.048 1.00 0.00 O ATOM 952 CG2 THR A1997 4.567 -6.767 10.442 1.00 0.00 C ATOM 0 H THR A1997 6.121 -5.154 7.158 1.00 0.00 H new ATOM 0 HA THR A1997 4.346 -7.338 7.677 1.00 0.00 H new ATOM 0 HB THR A1997 5.861 -5.410 9.402 1.00 0.00 H new ATOM 0 HG1 THR A1997 6.969 -7.428 9.859 1.00 0.00 H new ATOM 0 HG21 THR A1997 5.201 -6.818 11.327 1.00 0.00 H new ATOM 0 HG22 THR A1997 3.794 -6.014 10.593 1.00 0.00 H new ATOM 0 HG23 THR A1997 4.100 -7.737 10.273 1.00 0.00 H new ATOM 960 N THR A1998 3.242 -4.253 8.250 1.00 0.00 N ATOM 961 CA THR A1998 2.020 -3.498 8.487 1.00 0.00 C ATOM 962 C THR A1998 0.965 -3.854 7.440 1.00 0.00 C ATOM 963 O THR A1998 -0.204 -4.006 7.775 1.00 0.00 O ATOM 964 CB THR A1998 2.393 -2.004 8.524 1.00 0.00 C ATOM 965 OG1 THR A1998 2.993 -1.739 9.784 1.00 0.00 O ATOM 966 CG2 THR A1998 1.226 -1.047 8.271 1.00 0.00 C ATOM 0 H THR A1998 4.078 -3.676 8.159 1.00 0.00 H new ATOM 0 HA THR A1998 1.565 -3.752 9.445 1.00 0.00 H new ATOM 0 HB THR A1998 3.081 -1.817 7.700 1.00 0.00 H new ATOM 0 HG1 THR A1998 3.243 -0.793 9.835 1.00 0.00 H new ATOM 0 HG21 THR A1998 1.583 -0.018 8.316 1.00 0.00 H new ATOM 0 HG22 THR A1998 0.803 -1.241 7.285 1.00 0.00 H new ATOM 0 HG23 THR A1998 0.460 -1.199 9.031 1.00 0.00 H new ATOM 974 N ILE A1999 1.372 -4.059 6.194 1.00 0.00 N ATOM 975 CA ILE A1999 0.456 -4.413 5.118 1.00 0.00 C ATOM 976 C ILE A1999 -0.249 -5.735 5.423 1.00 0.00 C ATOM 977 O ILE A1999 -1.466 -5.847 5.248 1.00 0.00 O ATOM 978 CB ILE A1999 1.256 -4.465 3.814 1.00 0.00 C ATOM 979 CG1 ILE A1999 1.530 -3.012 3.379 1.00 0.00 C ATOM 980 CG2 ILE A1999 0.500 -5.246 2.735 1.00 0.00 C ATOM 981 CD1 ILE A1999 2.275 -2.971 2.055 1.00 0.00 C ATOM 0 H ILE A1999 2.346 -3.985 5.901 1.00 0.00 H new ATOM 0 HA ILE A1999 -0.331 -3.665 5.020 1.00 0.00 H new ATOM 0 HB ILE A1999 2.199 -4.990 3.966 1.00 0.00 H new ATOM 0 HG12 ILE A1999 0.587 -2.472 3.287 1.00 0.00 H new ATOM 0 HG13 ILE A1999 2.115 -2.503 4.145 1.00 0.00 H new ATOM 0 HG21 ILE A1999 1.091 -5.267 1.820 1.00 0.00 H new ATOM 0 HG22 ILE A1999 0.326 -6.266 3.078 1.00 0.00 H new ATOM 0 HG23 ILE A1999 -0.456 -4.762 2.538 1.00 0.00 H new ATOM 0 HD11 ILE A1999 2.456 -1.934 1.771 1.00 0.00 H new ATOM 0 HD12 ILE A1999 3.228 -3.490 2.157 1.00 0.00 H new ATOM 0 HD13 ILE A1999 1.677 -3.459 1.286 1.00 0.00 H new ATOM 993 N ASN A2000 0.515 -6.746 5.833 1.00 0.00 N ATOM 994 CA ASN A2000 -0.030 -8.057 6.148 1.00 0.00 C ATOM 995 C ASN A2000 -1.033 -7.948 7.269 1.00 0.00 C ATOM 996 O ASN A2000 -2.025 -8.658 7.269 1.00 0.00 O ATOM 997 CB ASN A2000 1.047 -8.999 6.683 1.00 0.00 C ATOM 998 CG ASN A2000 2.092 -9.303 5.656 1.00 0.00 C ATOM 999 OD1 ASN A2000 1.771 -9.504 4.494 1.00 0.00 O ATOM 1000 ND2 ASN A2000 3.347 -9.319 6.059 1.00 0.00 N ATOM 0 H ASN A2000 1.525 -6.676 5.955 1.00 0.00 H new ATOM 0 HA ASN A2000 -0.467 -8.434 5.223 1.00 0.00 H new ATOM 0 HB2 ASN A2000 1.519 -8.550 7.557 1.00 0.00 H new ATOM 0 HB3 ASN A2000 0.583 -9.928 7.013 1.00 0.00 H new ATOM 0 HD21 ASN A2000 4.095 -9.504 5.391 1.00 0.00 H new ATOM 0 HD22 ASN A2000 3.570 -9.146 7.039 1.00 0.00 H new ATOM 1007 N GLN A2001 -0.742 -7.083 8.232 1.00 0.00 N ATOM 1008 CA GLN A2001 -1.598 -6.865 9.386 1.00 0.00 C ATOM 1009 C GLN A2001 -2.873 -6.128 8.978 1.00 0.00 C ATOM 1010 O GLN A2001 -3.927 -6.353 9.573 1.00 0.00 O ATOM 1011 CB GLN A2001 -0.839 -6.138 10.503 1.00 0.00 C ATOM 1012 CG GLN A2001 0.462 -6.863 10.866 1.00 0.00 C ATOM 1013 CD GLN A2001 0.940 -6.624 12.278 1.00 0.00 C ATOM 1014 OE1 GLN A2001 1.153 -7.557 13.053 1.00 0.00 O ATOM 1015 NE2 GLN A2001 1.191 -5.376 12.591 1.00 0.00 N ATOM 0 H GLN A2001 0.102 -6.510 8.232 1.00 0.00 H new ATOM 0 HA GLN A2001 -1.898 -7.834 9.786 1.00 0.00 H new ATOM 0 HB2 GLN A2001 -0.613 -5.120 10.187 1.00 0.00 H new ATOM 0 HB3 GLN A2001 -1.473 -6.064 11.386 1.00 0.00 H new ATOM 0 HG2 GLN A2001 0.319 -7.934 10.721 1.00 0.00 H new ATOM 0 HG3 GLN A2001 1.243 -6.549 10.174 1.00 0.00 H new ATOM 0 HE21 GLN A2001 1.000 -4.633 11.919 1.00 0.00 H new ATOM 0 HE22 GLN A2001 1.578 -5.148 13.507 1.00 0.00 H new ATOM 1024 N THR A2002 -2.810 -5.290 7.945 1.00 0.00 N ATOM 1025 CA THR A2002 -3.960 -4.555 7.469 1.00 0.00 C ATOM 1026 C THR A2002 -4.932 -5.467 6.709 1.00 0.00 C ATOM 1027 O THR A2002 -6.134 -5.433 6.969 1.00 0.00 O ATOM 1028 CB THR A2002 -3.493 -3.396 6.568 1.00 0.00 C ATOM 1029 OG1 THR A2002 -2.614 -2.530 7.257 1.00 0.00 O ATOM 1030 CG2 THR A2002 -4.643 -2.549 6.025 1.00 0.00 C ATOM 0 H THR A2002 -1.955 -5.107 7.420 1.00 0.00 H new ATOM 0 HA THR A2002 -4.494 -4.153 8.330 1.00 0.00 H new ATOM 0 HB THR A2002 -2.987 -3.879 5.732 1.00 0.00 H new ATOM 0 HG1 THR A2002 -1.778 -3.001 7.453 1.00 0.00 H new ATOM 0 HG21 THR A2002 -4.243 -1.751 5.399 1.00 0.00 H new ATOM 0 HG22 THR A2002 -5.309 -3.176 5.432 1.00 0.00 H new ATOM 0 HG23 THR A2002 -5.199 -2.114 6.856 1.00 0.00 H new ATOM 1038 N TYR A2003 -4.440 -6.316 5.801 1.00 0.00 N ATOM 1039 CA TYR A2003 -5.288 -7.178 4.980 1.00 0.00 C ATOM 1040 C TYR A2003 -5.309 -8.638 5.395 1.00 0.00 C ATOM 1041 O TYR A2003 -6.000 -9.411 4.733 1.00 0.00 O ATOM 1042 CB TYR A2003 -4.896 -6.994 3.506 1.00 0.00 C ATOM 1043 CG TYR A2003 -4.886 -5.547 3.083 1.00 0.00 C ATOM 1044 CD1 TYR A2003 -6.103 -4.856 3.025 1.00 0.00 C ATOM 1045 CD2 TYR A2003 -3.667 -4.871 2.874 1.00 0.00 C ATOM 1046 CE1 TYR A2003 -6.118 -3.486 2.743 1.00 0.00 C ATOM 1047 CE2 TYR A2003 -3.673 -3.490 2.605 1.00 0.00 C ATOM 1048 CZ TYR A2003 -4.903 -2.794 2.559 1.00 0.00 C ATOM 1049 OH TYR A2003 -4.917 -1.446 2.416 1.00 0.00 O ATOM 0 H TYR A2003 -3.443 -6.423 5.617 1.00 0.00 H new ATOM 0 HA TYR A2003 -6.319 -6.861 5.136 1.00 0.00 H new ATOM 0 HB2 TYR A2003 -3.908 -7.423 3.341 1.00 0.00 H new ATOM 0 HB3 TYR A2003 -5.593 -7.547 2.877 1.00 0.00 H new ATOM 0 HD1 TYR A2003 -7.031 -5.381 3.198 1.00 0.00 H new ATOM 0 HD2 TYR A2003 -2.733 -5.411 2.920 1.00 0.00 H new ATOM 0 HE1 TYR A2003 -7.058 -2.959 2.666 1.00 0.00 H new ATOM 0 HE2 TYR A2003 -2.745 -2.965 2.435 1.00 0.00 H new ATOM 0 HH TYR A2003 -4.000 -1.120 2.299 1.00 0.00 H new ATOM 1059 N ASN A2004 -4.625 -9.005 6.481 1.00 0.00 N ATOM 1060 CA ASN A2004 -4.524 -10.359 7.024 1.00 0.00 C ATOM 1061 C ASN A2004 -3.926 -11.285 5.976 1.00 0.00 C ATOM 1062 O ASN A2004 -4.616 -12.143 5.425 1.00 0.00 O ATOM 1063 CB ASN A2004 -5.912 -10.791 7.493 1.00 0.00 C ATOM 1064 CG ASN A2004 -5.932 -12.144 8.184 1.00 0.00 C ATOM 1065 OD1 ASN A2004 -4.905 -12.728 8.515 1.00 0.00 O ATOM 1066 ND2 ASN A2004 -7.109 -12.692 8.428 1.00 0.00 N ATOM 0 H ASN A2004 -4.099 -8.328 7.034 1.00 0.00 H new ATOM 0 HA ASN A2004 -3.856 -10.398 7.885 1.00 0.00 H new ATOM 0 HB2 ASN A2004 -6.305 -10.038 8.177 1.00 0.00 H new ATOM 0 HB3 ASN A2004 -6.582 -10.822 6.634 1.00 0.00 H new ATOM 0 HD21 ASN A2004 -7.163 -13.599 8.891 1.00 0.00 H new ATOM 0 HD22 ASN A2004 -7.964 -12.208 8.153 1.00 0.00 H new ATOM 1073 N LEU A2005 -2.648 -11.051 5.671 1.00 0.00 N ATOM 1074 CA LEU A2005 -1.875 -11.759 4.655 1.00 0.00 C ATOM 1075 C LEU A2005 -0.495 -12.186 5.146 1.00 0.00 C ATOM 1076 O LEU A2005 -0.178 -12.129 6.335 1.00 0.00 O ATOM 1077 CB LEU A2005 -1.689 -10.836 3.426 1.00 0.00 C ATOM 1078 CG LEU A2005 -2.908 -10.015 2.999 1.00 0.00 C ATOM 1079 CD1 LEU A2005 -2.496 -9.038 1.916 1.00 0.00 C ATOM 1080 CD2 LEU A2005 -4.078 -10.861 2.511 1.00 0.00 C ATOM 0 H LEU A2005 -2.103 -10.332 6.147 1.00 0.00 H new ATOM 0 HA LEU A2005 -2.432 -12.661 4.403 1.00 0.00 H new ATOM 0 HB2 LEU A2005 -0.871 -10.148 3.637 1.00 0.00 H new ATOM 0 HB3 LEU A2005 -1.379 -11.451 2.581 1.00 0.00 H new ATOM 0 HG LEU A2005 -3.261 -9.490 3.887 1.00 0.00 H new ATOM 0 HD11 LEU A2005 -3.361 -8.450 1.608 1.00 0.00 H new ATOM 0 HD12 LEU A2005 -1.724 -8.372 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A2005 -2.107 -9.588 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A2005 -4.904 -10.210 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A2005 -3.766 -11.450 1.648 1.00 0.00 H new ATOM 0 HD23 LEU A2005 -4.401 -11.529 3.309 1.00 0.00 H new ATOM 1092 N ASN A2006 0.339 -12.619 4.200 1.00 0.00 N ATOM 1093 CA ASN A2006 1.704 -13.042 4.401 1.00 0.00 C ATOM 1094 C ASN A2006 2.536 -12.496 3.248 1.00 0.00 C ATOM 1095 O ASN A2006 2.370 -12.930 2.106 1.00 0.00 O ATOM 1096 CB ASN A2006 1.783 -14.566 4.438 1.00 0.00 C ATOM 1097 CG ASN A2006 3.228 -15.006 4.288 1.00 0.00 C ATOM 1098 OD1 ASN A2006 4.144 -14.422 4.864 1.00 0.00 O ATOM 1099 ND2 ASN A2006 3.493 -15.999 3.467 1.00 0.00 N ATOM 0 H ASN A2006 0.054 -12.683 3.223 1.00 0.00 H new ATOM 0 HA ASN A2006 2.083 -12.664 5.351 1.00 0.00 H new ATOM 0 HB2 ASN A2006 1.375 -14.938 5.378 1.00 0.00 H new ATOM 0 HB3 ASN A2006 1.178 -14.991 3.637 1.00 0.00 H new ATOM 0 HD21 ASN A2006 4.459 -16.285 3.308 1.00 0.00 H new ATOM 0 HD22 ASN A2006 2.732 -16.483 2.990 1.00 0.00 H new ATOM 1106 N LEU A2007 3.451 -11.579 3.550 1.00 0.00 N ATOM 1107 CA LEU A2007 4.369 -10.915 2.627 1.00 0.00 C ATOM 1108 C LEU A2007 5.650 -10.594 3.372 1.00 0.00 C ATOM 1109 O LEU A2007 5.677 -10.633 4.604 1.00 0.00 O ATOM 1110 CB LEU A2007 3.785 -9.594 2.127 1.00 0.00 C ATOM 1111 CG LEU A2007 2.441 -9.709 1.380 1.00 0.00 C ATOM 1112 CD1 LEU A2007 1.792 -8.332 1.269 1.00 0.00 C ATOM 1113 CD2 LEU A2007 2.615 -10.365 0.003 1.00 0.00 C ATOM 0 H LEU A2007 3.580 -11.258 4.510 1.00 0.00 H new ATOM 0 HA LEU A2007 4.545 -11.577 1.779 1.00 0.00 H new ATOM 0 HB2 LEU A2007 3.652 -8.928 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A2007 4.511 -9.122 1.465 1.00 0.00 H new ATOM 0 HG LEU A2007 1.779 -10.358 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A2007 0.843 -8.419 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A2007 1.616 -7.931 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A2007 2.453 -7.661 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A2007 1.647 -10.429 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A2007 3.295 -9.765 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A2007 3.027 -11.367 0.127 1.00 0.00 H new ATOM 1125 N LYS A2008 6.731 -10.354 2.628 1.00 0.00 N ATOM 1126 CA LYS A2008 8.027 -10.038 3.199 1.00 0.00 C ATOM 1127 C LYS A2008 8.710 -8.923 2.438 1.00 0.00 C ATOM 1128 O LYS A2008 8.156 -8.414 1.467 1.00 0.00 O ATOM 1129 CB LYS A2008 8.853 -11.302 3.400 1.00 0.00 C ATOM 1130 CG LYS A2008 9.356 -12.012 2.135 1.00 0.00 C ATOM 1131 CD LYS A2008 10.868 -12.269 2.106 1.00 0.00 C ATOM 1132 CE LYS A2008 11.370 -12.863 3.425 1.00 0.00 C ATOM 1133 NZ LYS A2008 12.728 -13.430 3.302 1.00 0.00 N ATOM 0 H LYS A2008 6.725 -10.375 1.608 1.00 0.00 H new ATOM 0 HA LYS A2008 7.895 -9.631 4.201 1.00 0.00 H new ATOM 0 HB2 LYS A2008 9.718 -11.048 4.013 1.00 0.00 H new ATOM 0 HB3 LYS A2008 8.254 -12.011 3.972 1.00 0.00 H new ATOM 0 HG2 LYS A2008 8.837 -12.965 2.038 1.00 0.00 H new ATOM 0 HG3 LYS A2008 9.086 -11.412 1.266 1.00 0.00 H new ATOM 0 HD2 LYS A2008 11.105 -12.949 1.288 1.00 0.00 H new ATOM 0 HD3 LYS A2008 11.392 -11.334 1.906 1.00 0.00 H new ATOM 0 HE2 LYS A2008 11.370 -12.089 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A2008 10.682 -13.641 3.756 1.00 0.00 H new ATOM 0 HZ1 LYS A2008 13.026 -13.820 4.219 1.00 0.00 H new ATOM 0 HZ2 LYS A2008 12.725 -14.186 2.588 1.00 0.00 H new ATOM 0 HZ3 LYS A2008 13.391 -12.683 3.012 1.00 0.00 H new ATOM 1147 N ALA A2009 9.944 -8.600 2.832 1.00 0.00 N ATOM 1148 CA ALA A2009 10.736 -7.528 2.239 1.00 0.00 C ATOM 1149 C ALA A2009 10.857 -7.642 0.727 1.00 0.00 C ATOM 1150 O ALA A2009 10.929 -6.632 0.029 1.00 0.00 O ATOM 1151 CB ALA A2009 12.114 -7.454 2.878 1.00 0.00 C ATOM 0 H ALA A2009 10.427 -9.087 3.587 1.00 0.00 H new ATOM 0 HA ALA A2009 10.198 -6.602 2.442 1.00 0.00 H new ATOM 0 HB1 ALA A2009 12.685 -6.647 2.419 1.00 0.00 H new ATOM 0 HB2 ALA A2009 12.010 -7.263 3.946 1.00 0.00 H new ATOM 0 HB3 ALA A2009 12.636 -8.399 2.728 1.00 0.00 H new ATOM 1157 N THR A2010 10.805 -8.876 0.228 1.00 0.00 N ATOM 1158 CA THR A2010 10.882 -9.188 -1.182 1.00 0.00 C ATOM 1159 C THR A2010 9.788 -8.403 -1.926 1.00 0.00 C ATOM 1160 O THR A2010 10.015 -8.022 -3.064 1.00 0.00 O ATOM 1161 CB THR A2010 10.794 -10.720 -1.308 1.00 0.00 C ATOM 1162 OG1 THR A2010 11.647 -11.258 -2.289 1.00 0.00 O ATOM 1163 CG2 THR A2010 9.362 -11.226 -1.474 1.00 0.00 C ATOM 0 H THR A2010 10.705 -9.703 0.817 1.00 0.00 H new ATOM 0 HA THR A2010 11.818 -8.881 -1.649 1.00 0.00 H new ATOM 0 HB THR A2010 11.156 -11.092 -0.350 1.00 0.00 H new ATOM 0 HG1 THR A2010 11.542 -12.232 -2.315 1.00 0.00 H new ATOM 0 HG21 THR A2010 9.367 -12.313 -1.557 1.00 0.00 H new ATOM 0 HG22 THR A2010 8.769 -10.932 -0.608 1.00 0.00 H new ATOM 0 HG23 THR A2010 8.926 -10.795 -2.375 1.00 0.00 H new ATOM 1171 N LYS A2011 8.628 -8.114 -1.305 1.00 0.00 N ATOM 1172 CA LYS A2011 7.561 -7.348 -1.950 1.00 0.00 C ATOM 1173 C LYS A2011 8.056 -5.996 -2.390 1.00 0.00 C ATOM 1174 O LYS A2011 7.801 -5.598 -3.518 1.00 0.00 O ATOM 1175 CB LYS A2011 6.383 -7.094 -1.016 1.00 0.00 C ATOM 1176 CG LYS A2011 5.440 -8.262 -0.879 1.00 0.00 C ATOM 1177 CD LYS A2011 4.822 -8.629 -2.223 1.00 0.00 C ATOM 1178 CE LYS A2011 5.500 -9.881 -2.761 1.00 0.00 C ATOM 1179 NZ LYS A2011 4.844 -10.537 -3.913 1.00 0.00 N ATOM 0 H LYS A2011 8.412 -8.405 -0.351 1.00 0.00 H new ATOM 0 HA LYS A2011 7.243 -7.952 -2.800 1.00 0.00 H new ATOM 0 HB2 LYS A2011 6.766 -6.833 -0.029 1.00 0.00 H new ATOM 0 HB3 LYS A2011 5.825 -6.231 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS A2011 5.976 -9.121 -0.475 1.00 0.00 H new ATOM 0 HG3 LYS A2011 4.652 -8.015 -0.168 1.00 0.00 H new ATOM 0 HD2 LYS A2011 3.752 -8.801 -2.110 1.00 0.00 H new ATOM 0 HD3 LYS A2011 4.940 -7.806 -2.928 1.00 0.00 H new ATOM 0 HE2 LYS A2011 6.519 -9.622 -3.049 1.00 0.00 H new ATOM 0 HE3 LYS A2011 5.573 -10.606 -1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A2011 5.332 -11.430 -4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A2011 3.850 -10.734 -3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A2011 4.888 -9.909 -4.741 1.00 0.00 H new ATOM 1193 N LEU A2012 8.752 -5.288 -1.509 1.00 0.00 N ATOM 1194 CA LEU A2012 9.288 -3.964 -1.836 1.00 0.00 C ATOM 1195 C LEU A2012 10.232 -4.074 -3.033 1.00 0.00 C ATOM 1196 O LEU A2012 10.323 -3.148 -3.843 1.00 0.00 O ATOM 1197 CB LEU A2012 9.993 -3.347 -0.613 1.00 0.00 C ATOM 1198 CG LEU A2012 9.027 -2.599 0.325 1.00 0.00 C ATOM 1199 CD1 LEU A2012 8.525 -1.321 -0.360 1.00 0.00 C ATOM 1200 CD2 LEU A2012 7.897 -3.511 0.815 1.00 0.00 C ATOM 0 H LEU A2012 8.961 -5.605 -0.562 1.00 0.00 H new ATOM 0 HA LEU A2012 8.468 -3.299 -2.106 1.00 0.00 H new ATOM 0 HB2 LEU A2012 10.495 -4.136 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A2012 10.765 -2.658 -0.955 1.00 0.00 H new ATOM 0 HG LEU A2012 9.562 -2.296 1.225 1.00 0.00 H new ATOM 0 HD11 LEU A2012 7.842 -0.795 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A2012 9.372 -0.676 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A2012 8.004 -1.583 -1.281 1.00 0.00 H new ATOM 0 HD21 LEU A2012 7.236 -2.949 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A2012 7.330 -3.879 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A2012 8.321 -4.355 1.360 1.00 0.00 H new ATOM 1212 N TYR A2013 10.925 -5.206 -3.162 1.00 0.00 N ATOM 1213 CA TYR A2013 11.855 -5.462 -4.243 1.00 0.00 C ATOM 1214 C TYR A2013 11.157 -5.948 -5.511 1.00 0.00 C ATOM 1215 O TYR A2013 11.746 -5.884 -6.591 1.00 0.00 O ATOM 1216 CB TYR A2013 12.898 -6.499 -3.778 1.00 0.00 C ATOM 1217 CG TYR A2013 14.299 -6.229 -4.283 1.00 0.00 C ATOM 1218 CD1 TYR A2013 14.717 -6.674 -5.551 1.00 0.00 C ATOM 1219 CD2 TYR A2013 15.190 -5.511 -3.469 1.00 0.00 C ATOM 1220 CE1 TYR A2013 15.998 -6.345 -6.028 1.00 0.00 C ATOM 1221 CE2 TYR A2013 16.468 -5.176 -3.938 1.00 0.00 C ATOM 1222 CZ TYR A2013 16.872 -5.573 -5.229 1.00 0.00 C ATOM 1223 OH TYR A2013 18.118 -5.248 -5.661 1.00 0.00 O ATOM 0 H TYR A2013 10.849 -5.980 -2.502 1.00 0.00 H new ATOM 0 HA TYR A2013 12.344 -4.521 -4.494 1.00 0.00 H new ATOM 0 HB2 TYR A2013 12.913 -6.521 -2.688 1.00 0.00 H new ATOM 0 HB3 TYR A2013 12.586 -7.488 -4.112 1.00 0.00 H new ATOM 0 HD1 TYR A2013 14.052 -7.270 -6.159 1.00 0.00 H new ATOM 0 HD2 TYR A2013 14.889 -5.215 -2.475 1.00 0.00 H new ATOM 0 HE1 TYR A2013 16.314 -6.682 -7.004 1.00 0.00 H new ATOM 0 HE2 TYR A2013 17.143 -4.614 -3.310 1.00 0.00 H new ATOM 0 HH TYR A2013 18.572 -4.713 -4.977 1.00 0.00 H new ATOM 1233 N ASP A2014 9.920 -6.423 -5.410 1.00 0.00 N ATOM 1234 CA ASP A2014 9.124 -6.936 -6.514 1.00 0.00 C ATOM 1235 C ASP A2014 8.221 -5.853 -7.076 1.00 0.00 C ATOM 1236 O ASP A2014 8.032 -5.798 -8.287 1.00 0.00 O ATOM 1237 CB ASP A2014 8.273 -8.125 -6.011 1.00 0.00 C ATOM 1238 CG ASP A2014 8.673 -9.480 -6.595 1.00 0.00 C ATOM 1239 OD1 ASP A2014 9.674 -9.588 -7.339 1.00 0.00 O ATOM 1240 OD2 ASP A2014 8.048 -10.500 -6.229 1.00 0.00 O ATOM 0 H ASP A2014 9.426 -6.462 -4.518 1.00 0.00 H new ATOM 0 HA ASP A2014 9.791 -7.267 -7.310 1.00 0.00 H new ATOM 0 HB2 ASP A2014 8.347 -8.175 -4.925 1.00 0.00 H new ATOM 0 HB3 ASP A2014 7.227 -7.934 -6.251 1.00 0.00 H new ATOM 1245 N TYR A2015 7.723 -4.957 -6.223 1.00 0.00 N ATOM 1246 CA TYR A2015 6.818 -3.879 -6.591 1.00 0.00 C ATOM 1247 C TYR A2015 7.212 -2.582 -5.874 1.00 0.00 C ATOM 1248 O TYR A2015 6.690 -2.287 -4.800 1.00 0.00 O ATOM 1249 CB TYR A2015 5.357 -4.265 -6.281 1.00 0.00 C ATOM 1250 CG TYR A2015 4.960 -5.716 -6.445 1.00 0.00 C ATOM 1251 CD1 TYR A2015 5.059 -6.357 -7.694 1.00 0.00 C ATOM 1252 CD2 TYR A2015 4.486 -6.425 -5.326 1.00 0.00 C ATOM 1253 CE1 TYR A2015 4.769 -7.731 -7.798 1.00 0.00 C ATOM 1254 CE2 TYR A2015 4.094 -7.758 -5.457 1.00 0.00 C ATOM 1255 CZ TYR A2015 4.291 -8.436 -6.671 1.00 0.00 C ATOM 1256 OH TYR A2015 4.091 -9.780 -6.681 1.00 0.00 O ATOM 0 H TYR A2015 7.948 -4.966 -5.228 1.00 0.00 H new ATOM 0 HA TYR A2015 6.897 -3.710 -7.665 1.00 0.00 H new ATOM 0 HB2 TYR A2015 5.145 -3.974 -5.252 1.00 0.00 H new ATOM 0 HB3 TYR A2015 4.709 -3.666 -6.921 1.00 0.00 H new ATOM 0 HD1 TYR A2015 5.356 -5.798 -8.569 1.00 0.00 H new ATOM 0 HD2 TYR A2015 4.425 -5.937 -4.364 1.00 0.00 H new ATOM 0 HE1 TYR A2015 4.912 -8.245 -8.737 1.00 0.00 H new ATOM 0 HE2 TYR A2015 3.638 -8.270 -4.622 1.00 0.00 H new ATOM 0 HH TYR A2015 3.208 -9.982 -6.307 1.00 0.00 H new ATOM 1266 N PRO A2016 8.137 -1.784 -6.422 1.00 0.00 N ATOM 1267 CA PRO A2016 8.548 -0.526 -5.819 1.00 0.00 C ATOM 1268 C PRO A2016 7.472 0.571 -5.915 1.00 0.00 C ATOM 1269 O PRO A2016 7.756 1.674 -5.455 1.00 0.00 O ATOM 1270 CB PRO A2016 9.825 -0.124 -6.557 1.00 0.00 C ATOM 1271 CG PRO A2016 9.595 -0.704 -7.947 1.00 0.00 C ATOM 1272 CD PRO A2016 8.857 -2.006 -7.661 1.00 0.00 C ATOM 0 HA PRO A2016 8.711 -0.649 -4.748 1.00 0.00 H new ATOM 0 HB2 PRO A2016 9.955 0.958 -6.585 1.00 0.00 H new ATOM 0 HB3 PRO A2016 10.715 -0.540 -6.085 1.00 0.00 H new ATOM 0 HG2 PRO A2016 9.003 -0.034 -8.570 1.00 0.00 H new ATOM 0 HG3 PRO A2016 10.535 -0.880 -8.471 1.00 0.00 H new ATOM 0 HD2 PRO A2016 8.173 -2.255 -8.472 1.00 0.00 H new ATOM 0 HD3 PRO A2016 9.554 -2.838 -7.565 1.00 0.00 H new ATOM 1280 N THR A2017 6.288 0.339 -6.500 1.00 0.00 N ATOM 1281 CA THR A2017 5.227 1.334 -6.610 1.00 0.00 C ATOM 1282 C THR A2017 3.924 0.741 -6.076 1.00 0.00 C ATOM 1283 O THR A2017 3.725 -0.474 -6.051 1.00 0.00 O ATOM 1284 CB THR A2017 5.072 1.862 -8.046 1.00 0.00 C ATOM 1285 OG1 THR A2017 4.510 0.907 -8.906 1.00 0.00 O ATOM 1286 CG2 THR A2017 6.364 2.291 -8.729 1.00 0.00 C ATOM 0 H THR A2017 6.043 -0.560 -6.914 1.00 0.00 H new ATOM 0 HA THR A2017 5.496 2.199 -6.004 1.00 0.00 H new ATOM 0 HB THR A2017 4.431 2.731 -7.897 1.00 0.00 H new ATOM 0 HG1 THR A2017 5.213 0.309 -9.235 1.00 0.00 H new ATOM 0 HG21 THR A2017 6.143 2.646 -9.735 1.00 0.00 H new ATOM 0 HG22 THR A2017 6.830 3.092 -8.155 1.00 0.00 H new ATOM 0 HG23 THR A2017 7.045 1.442 -8.786 1.00 0.00 H new ATOM 1294 N LEU A2018 3.002 1.602 -5.652 1.00 0.00 N ATOM 1295 CA LEU A2018 1.702 1.233 -5.093 1.00 0.00 C ATOM 1296 C LEU A2018 0.844 0.508 -6.111 1.00 0.00 C ATOM 1297 O LEU A2018 0.066 -0.356 -5.727 1.00 0.00 O ATOM 1298 CB LEU A2018 0.944 2.506 -4.676 1.00 0.00 C ATOM 1299 CG LEU A2018 1.738 3.334 -3.665 1.00 0.00 C ATOM 1300 CD1 LEU A2018 1.206 4.744 -3.516 1.00 0.00 C ATOM 1301 CD2 LEU A2018 1.758 2.647 -2.312 1.00 0.00 C ATOM 0 H LEU A2018 3.144 2.611 -5.689 1.00 0.00 H new ATOM 0 HA LEU A2018 1.886 0.579 -4.241 1.00 0.00 H new ATOM 0 HB2 LEU A2018 0.737 3.111 -5.559 1.00 0.00 H new ATOM 0 HB3 LEU A2018 -0.019 2.231 -4.245 1.00 0.00 H new ATOM 0 HG LEU A2018 2.753 3.409 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A2018 1.808 5.285 -2.786 1.00 0.00 H new ATOM 0 HD12 LEU A2018 1.256 5.255 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A2018 0.171 4.708 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A2018 2.328 3.251 -1.606 1.00 0.00 H new ATOM 0 HD22 LEU A2018 0.737 2.530 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A2018 2.224 1.666 -2.409 1.00 0.00 H new ATOM 1313 N LEU A2019 0.966 0.869 -7.389 1.00 0.00 N ATOM 1314 CA LEU A2019 0.191 0.268 -8.466 1.00 0.00 C ATOM 1315 C LEU A2019 0.406 -1.243 -8.525 1.00 0.00 C ATOM 1316 O LEU A2019 -0.561 -2.007 -8.468 1.00 0.00 O ATOM 1317 CB LEU A2019 0.542 0.972 -9.783 1.00 0.00 C ATOM 1318 CG LEU A2019 -0.101 2.359 -9.925 1.00 0.00 C ATOM 1319 CD1 LEU A2019 0.588 3.076 -11.082 1.00 0.00 C ATOM 1320 CD2 LEU A2019 -1.615 2.348 -10.154 1.00 0.00 C ATOM 0 H LEU A2019 1.612 1.593 -7.704 1.00 0.00 H new ATOM 0 HA LEU A2019 -0.874 0.407 -8.280 1.00 0.00 H new ATOM 0 HB2 LEU A2019 1.625 1.073 -9.855 1.00 0.00 H new ATOM 0 HB3 LEU A2019 0.224 0.346 -10.617 1.00 0.00 H new ATOM 0 HG LEU A2019 0.037 2.873 -8.974 1.00 0.00 H new ATOM 0 HD11 LEU A2019 0.151 4.067 -11.208 1.00 0.00 H new ATOM 0 HD12 LEU A2019 1.652 3.173 -10.868 1.00 0.00 H new ATOM 0 HD13 LEU A2019 0.453 2.501 -11.998 1.00 0.00 H new ATOM 0 HD21 LEU A2019 -1.977 3.372 -10.242 1.00 0.00 H new ATOM 0 HD22 LEU A2019 -1.840 1.804 -11.071 1.00 0.00 H new ATOM 0 HD23 LEU A2019 -2.107 1.860 -9.312 1.00 0.00 H new ATOM 1332 N GLU A2020 1.654 -1.684 -8.627 1.00 0.00 N ATOM 1333 CA GLU A2020 2.023 -3.099 -8.693 1.00 0.00 C ATOM 1334 C GLU A2020 1.895 -3.743 -7.305 1.00 0.00 C ATOM 1335 O GLU A2020 1.428 -4.886 -7.215 1.00 0.00 O ATOM 1336 CB GLU A2020 3.418 -3.293 -9.332 1.00 0.00 C ATOM 1337 CG GLU A2020 4.330 -2.076 -9.163 1.00 0.00 C ATOM 1338 CD GLU A2020 5.781 -2.150 -9.631 1.00 0.00 C ATOM 1339 OE1 GLU A2020 6.285 -3.228 -10.020 1.00 0.00 O ATOM 1340 OE2 GLU A2020 6.427 -1.082 -9.543 1.00 0.00 O ATOM 0 H GLU A2020 2.457 -1.057 -8.667 1.00 0.00 H new ATOM 0 HA GLU A2020 1.326 -3.618 -9.352 1.00 0.00 H new ATOM 0 HB2 GLU A2020 3.898 -4.164 -8.885 1.00 0.00 H new ATOM 0 HB3 GLU A2020 3.298 -3.505 -10.394 1.00 0.00 H new ATOM 0 HG2 GLU A2020 3.861 -1.242 -9.685 1.00 0.00 H new ATOM 0 HG3 GLU A2020 4.342 -1.822 -8.103 1.00 0.00 H new ATOM 1347 N LEU A2021 2.227 -3.023 -6.224 1.00 0.00 N ATOM 1348 CA LEU A2021 2.137 -3.536 -4.852 1.00 0.00 C ATOM 1349 C LEU A2021 0.698 -3.950 -4.565 1.00 0.00 C ATOM 1350 O LEU A2021 0.448 -5.086 -4.159 1.00 0.00 O ATOM 1351 CB LEU A2021 2.647 -2.516 -3.822 1.00 0.00 C ATOM 1352 CG LEU A2021 3.075 -3.181 -2.493 1.00 0.00 C ATOM 1353 CD1 LEU A2021 4.592 -3.351 -2.416 1.00 0.00 C ATOM 1354 CD2 LEU A2021 2.676 -2.325 -1.299 1.00 0.00 C ATOM 0 H LEU A2021 2.567 -2.063 -6.279 1.00 0.00 H new ATOM 0 HA LEU A2021 2.784 -4.408 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU A2021 3.493 -1.973 -4.242 1.00 0.00 H new ATOM 0 HB3 LEU A2021 1.865 -1.783 -3.623 1.00 0.00 H new ATOM 0 HG LEU A2021 2.576 -4.150 -2.466 1.00 0.00 H new ATOM 0 HD11 LEU A2021 4.858 -3.821 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A2021 4.930 -3.979 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A2021 5.071 -2.374 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A2021 2.989 -2.817 -0.378 1.00 0.00 H new ATOM 0 HD22 LEU A2021 3.159 -1.350 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A2021 1.594 -2.194 -1.291 1.00 0.00 H new ATOM 1366 N SER A2022 -0.238 -3.021 -4.773 1.00 0.00 N ATOM 1367 CA SER A2022 -1.665 -3.200 -4.574 1.00 0.00 C ATOM 1368 C SER A2022 -2.204 -4.269 -5.520 1.00 0.00 C ATOM 1369 O SER A2022 -3.043 -5.072 -5.109 1.00 0.00 O ATOM 1370 CB SER A2022 -2.365 -1.866 -4.850 1.00 0.00 C ATOM 1371 OG SER A2022 -3.705 -1.905 -4.438 1.00 0.00 O ATOM 0 H SER A2022 -0.004 -2.083 -5.099 1.00 0.00 H new ATOM 0 HA SER A2022 -1.854 -3.521 -3.550 1.00 0.00 H new ATOM 0 HB2 SER A2022 -1.844 -1.063 -4.328 1.00 0.00 H new ATOM 0 HB3 SER A2022 -2.315 -1.639 -5.915 1.00 0.00 H new ATOM 0 HG SER A2022 -4.280 -1.584 -5.164 1.00 0.00 H new ATOM 1377 N GLY A2023 -1.676 -4.309 -6.747 1.00 0.00 N ATOM 1378 CA GLY A2023 -2.063 -5.243 -7.786 1.00 0.00 C ATOM 1379 C GLY A2023 -1.952 -6.661 -7.267 1.00 0.00 C ATOM 1380 O GLY A2023 -2.873 -7.449 -7.487 1.00 0.00 O ATOM 0 H GLY A2023 -0.943 -3.666 -7.045 1.00 0.00 H new ATOM 0 HA2 GLY A2023 -3.085 -5.042 -8.106 1.00 0.00 H new ATOM 0 HA3 GLY A2023 -1.424 -5.115 -8.660 1.00 0.00 H new ATOM 1384 N TYR A2024 -0.870 -6.966 -6.549 1.00 0.00 N ATOM 1385 CA TYR A2024 -0.670 -8.284 -5.984 1.00 0.00 C ATOM 1386 C TYR A2024 -1.553 -8.475 -4.747 1.00 0.00 C ATOM 1387 O TYR A2024 -2.324 -9.425 -4.711 1.00 0.00 O ATOM 1388 CB TYR A2024 0.814 -8.495 -5.664 1.00 0.00 C ATOM 1389 CG TYR A2024 1.151 -9.906 -5.211 1.00 0.00 C ATOM 1390 CD1 TYR A2024 0.869 -10.989 -6.064 1.00 0.00 C ATOM 1391 CD2 TYR A2024 1.727 -10.147 -3.946 1.00 0.00 C ATOM 1392 CE1 TYR A2024 1.142 -12.304 -5.655 1.00 0.00 C ATOM 1393 CE2 TYR A2024 1.968 -11.468 -3.518 1.00 0.00 C ATOM 1394 CZ TYR A2024 1.660 -12.550 -4.369 1.00 0.00 C ATOM 1395 OH TYR A2024 1.855 -13.824 -3.945 1.00 0.00 O ATOM 0 H TYR A2024 -0.118 -6.306 -6.349 1.00 0.00 H new ATOM 0 HA TYR A2024 -0.965 -9.039 -6.713 1.00 0.00 H new ATOM 0 HB2 TYR A2024 1.404 -8.257 -6.549 1.00 0.00 H new ATOM 0 HB3 TYR A2024 1.111 -7.793 -4.885 1.00 0.00 H new ATOM 0 HD1 TYR A2024 0.440 -10.808 -7.039 1.00 0.00 H new ATOM 0 HD2 TYR A2024 1.984 -9.317 -3.304 1.00 0.00 H new ATOM 0 HE1 TYR A2024 0.954 -13.128 -6.328 1.00 0.00 H new ATOM 0 HE2 TYR A2024 2.388 -11.652 -2.540 1.00 0.00 H new ATOM 0 HH TYR A2024 2.219 -13.814 -3.035 1.00 0.00 H new ATOM 1405 N ILE A2025 -1.520 -7.562 -3.763 1.00 0.00 N ATOM 1406 CA ILE A2025 -2.303 -7.672 -2.518 1.00 0.00 C ATOM 1407 C ILE A2025 -3.769 -7.964 -2.783 1.00 0.00 C ATOM 1408 O ILE A2025 -4.324 -8.873 -2.164 1.00 0.00 O ATOM 1409 CB ILE A2025 -2.198 -6.384 -1.667 1.00 0.00 C ATOM 1410 CG1 ILE A2025 -0.740 -6.197 -1.222 1.00 0.00 C ATOM 1411 CG2 ILE A2025 -3.120 -6.382 -0.423 1.00 0.00 C ATOM 1412 CD1 ILE A2025 -0.529 -4.948 -0.375 1.00 0.00 C ATOM 0 H ILE A2025 -0.946 -6.720 -3.808 1.00 0.00 H new ATOM 0 HA ILE A2025 -1.873 -8.510 -1.969 1.00 0.00 H new ATOM 0 HB ILE A2025 -2.530 -5.560 -2.298 1.00 0.00 H new ATOM 0 HG12 ILE A2025 -0.425 -7.072 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A2025 -0.101 -6.143 -2.104 1.00 0.00 H new ATOM 0 HG21 ILE A2025 -2.991 -5.448 0.124 1.00 0.00 H new ATOM 0 HG22 ILE A2025 -4.159 -6.477 -0.740 1.00 0.00 H new ATOM 0 HG23 ILE A2025 -2.860 -7.220 0.224 1.00 0.00 H new ATOM 0 HD11 ILE A2025 0.521 -4.873 -0.093 1.00 0.00 H new ATOM 0 HD12 ILE A2025 -0.814 -4.067 -0.949 1.00 0.00 H new ATOM 0 HD13 ILE A2025 -1.143 -5.010 0.524 1.00 0.00 H new ATOM 1424 N ALA A2026 -4.390 -7.188 -3.667 1.00 0.00 N ATOM 1425 CA ALA A2026 -5.790 -7.343 -4.001 1.00 0.00 C ATOM 1426 C ALA A2026 -6.095 -8.782 -4.428 1.00 0.00 C ATOM 1427 O ALA A2026 -7.183 -9.266 -4.127 1.00 0.00 O ATOM 1428 CB ALA A2026 -6.143 -6.309 -5.074 1.00 0.00 C ATOM 0 H ALA A2026 -3.927 -6.431 -4.171 1.00 0.00 H new ATOM 0 HA ALA A2026 -6.417 -7.160 -3.128 1.00 0.00 H new ATOM 0 HB1 ALA A2026 -7.195 -6.407 -5.342 1.00 0.00 H new ATOM 0 HB2 ALA A2026 -5.959 -5.306 -4.688 1.00 0.00 H new ATOM 0 HB3 ALA A2026 -5.527 -6.476 -5.957 1.00 0.00 H new ATOM 1434 N GLN A2027 -5.163 -9.457 -5.108 1.00 0.00 N ATOM 1435 CA GLN A2027 -5.324 -10.835 -5.557 1.00 0.00 C ATOM 1436 C GLN A2027 -5.165 -11.819 -4.395 1.00 0.00 C ATOM 1437 O GLN A2027 -5.811 -12.870 -4.402 1.00 0.00 O ATOM 1438 CB GLN A2027 -4.288 -11.201 -6.630 1.00 0.00 C ATOM 1439 CG GLN A2027 -4.350 -10.366 -7.921 1.00 0.00 C ATOM 1440 CD GLN A2027 -4.545 -11.207 -9.183 1.00 0.00 C ATOM 1441 OE1 GLN A2027 -4.103 -12.344 -9.286 1.00 0.00 O ATOM 1442 NE2 GLN A2027 -5.169 -10.651 -10.206 1.00 0.00 N ATOM 0 H GLN A2027 -4.263 -9.051 -5.364 1.00 0.00 H new ATOM 0 HA GLN A2027 -6.329 -10.907 -5.973 1.00 0.00 H new ATOM 0 HB2 GLN A2027 -3.292 -11.099 -6.199 1.00 0.00 H new ATOM 0 HB3 GLN A2027 -4.416 -12.252 -6.891 1.00 0.00 H new ATOM 0 HG2 GLN A2027 -5.167 -9.649 -7.842 1.00 0.00 H new ATOM 0 HG3 GLN A2027 -3.429 -9.790 -8.016 1.00 0.00 H new ATOM 0 HE21 GLN A2027 -5.539 -9.704 -10.124 1.00 0.00 H new ATOM 0 HE22 GLN A2027 -5.281 -11.169 -11.078 1.00 0.00 H new ATOM 1451 N ILE A2028 -4.318 -11.512 -3.406 1.00 0.00 N ATOM 1452 CA ILE A2028 -4.086 -12.382 -2.255 1.00 0.00 C ATOM 1453 C ILE A2028 -5.365 -12.438 -1.432 1.00 0.00 C ATOM 1454 O ILE A2028 -5.917 -13.517 -1.249 1.00 0.00 O ATOM 1455 CB ILE A2028 -2.928 -11.867 -1.369 1.00 0.00 C ATOM 1456 CG1 ILE A2028 -1.640 -11.569 -2.147 1.00 0.00 C ATOM 1457 CG2 ILE A2028 -2.609 -12.886 -0.265 1.00 0.00 C ATOM 1458 CD1 ILE A2028 -0.580 -10.869 -1.296 1.00 0.00 C ATOM 0 H ILE A2028 -3.774 -10.649 -3.384 1.00 0.00 H new ATOM 0 HA ILE A2028 -3.808 -13.372 -2.617 1.00 0.00 H new ATOM 0 HB ILE A2028 -3.278 -10.926 -0.945 1.00 0.00 H new ATOM 0 HG12 ILE A2028 -1.230 -12.502 -2.533 1.00 0.00 H new ATOM 0 HG13 ILE A2028 -1.878 -10.945 -3.008 1.00 0.00 H new ATOM 0 HG21 ILE A2028 -1.792 -12.511 0.351 1.00 0.00 H new ATOM 0 HG22 ILE A2028 -3.492 -13.038 0.356 1.00 0.00 H new ATOM 0 HG23 ILE A2028 -2.316 -13.833 -0.718 1.00 0.00 H new ATOM 0 HD11 ILE A2028 0.308 -10.684 -1.900 1.00 0.00 H new ATOM 0 HD12 ILE A2028 -0.974 -9.921 -0.931 1.00 0.00 H new ATOM 0 HD13 ILE A2028 -0.317 -11.502 -0.449 1.00 0.00 H new ATOM 1470 N LEU A2029 -5.888 -11.284 -1.002 1.00 0.00 N ATOM 1471 CA LEU A2029 -7.112 -11.266 -0.201 1.00 0.00 C ATOM 1472 C LEU A2029 -8.303 -11.763 -1.015 1.00 0.00 C ATOM 1473 O LEU A2029 -9.246 -12.318 -0.458 1.00 0.00 O ATOM 1474 CB LEU A2029 -7.371 -9.913 0.469 1.00 0.00 C ATOM 1475 CG LEU A2029 -7.373 -8.679 -0.435 1.00 0.00 C ATOM 1476 CD1 LEU A2029 -8.717 -8.445 -1.132 1.00 0.00 C ATOM 1477 CD2 LEU A2029 -7.003 -7.445 0.384 1.00 0.00 C ATOM 0 H LEU A2029 -5.489 -10.365 -1.193 1.00 0.00 H new ATOM 0 HA LEU A2029 -6.967 -11.964 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A2029 -8.336 -9.964 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A2029 -6.615 -9.767 1.240 1.00 0.00 H new ATOM 0 HG LEU A2029 -6.636 -8.859 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A2029 -8.652 -7.555 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A2029 -8.960 -9.308 -1.752 1.00 0.00 H new ATOM 0 HD13 LEU A2029 -9.496 -8.305 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A2029 -7.005 -6.566 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A2029 -7.730 -7.309 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A2029 -6.010 -7.578 0.814 1.00 0.00 H new ATOM 1489 N SER A2030 -8.254 -11.593 -2.337 1.00 0.00 N ATOM 1490 CA SER A2030 -9.319 -12.050 -3.221 1.00 0.00 C ATOM 1491 C SER A2030 -9.303 -13.579 -3.281 1.00 0.00 C ATOM 1492 O SER A2030 -10.333 -14.174 -3.581 1.00 0.00 O ATOM 1493 CB SER A2030 -9.135 -11.428 -4.614 1.00 0.00 C ATOM 1494 OG SER A2030 -9.936 -11.966 -5.649 1.00 0.00 O ATOM 0 H SER A2030 -7.479 -11.137 -2.819 1.00 0.00 H new ATOM 0 HA SER A2030 -10.289 -11.733 -2.839 1.00 0.00 H new ATOM 0 HB2 SER A2030 -9.340 -10.360 -4.542 1.00 0.00 H new ATOM 0 HB3 SER A2030 -8.089 -11.533 -4.901 1.00 0.00 H new ATOM 0 HG SER A2030 -9.742 -11.500 -6.489 1.00 0.00 H new ATOM 1500 N SER A2031 -8.163 -14.206 -2.997 1.00 0.00 N ATOM 1501 CA SER A2031 -8.004 -15.657 -3.033 1.00 0.00 C ATOM 1502 C SER A2031 -8.348 -16.265 -1.681 1.00 0.00 C ATOM 1503 O SER A2031 -8.821 -17.397 -1.613 1.00 0.00 O ATOM 1504 CB SER A2031 -6.558 -15.967 -3.448 1.00 0.00 C ATOM 1505 OG SER A2031 -6.138 -17.281 -3.140 1.00 0.00 O ATOM 0 H SER A2031 -7.311 -13.712 -2.731 1.00 0.00 H new ATOM 0 HA SER A2031 -8.688 -16.099 -3.758 1.00 0.00 H new ATOM 0 HB2 SER A2031 -6.457 -15.807 -4.522 1.00 0.00 H new ATOM 0 HB3 SER A2031 -5.891 -15.259 -2.956 1.00 0.00 H new ATOM 0 HG SER A2031 -5.211 -17.406 -3.434 1.00 0.00 H new