USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 624 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1964 GLN : amide:sc= 0.115 X(o=1.4,f=1.2) USER MOD Set 1.2: A2002 THR OG1 : rot 64:sc= 1.32 USER MOD Set 2.1: A1953 ASN : amide:sc= -0.389 X(o=-0.051,f=0.0098) USER MOD Set 2.2: A1955 SER OG : rot 180:sc= 0.338 USER MOD Single : A1958 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1959 GLN :FLIP amide:sc= -0.281 F(o=-1.2,f=-0.28) USER MOD Single : A1962 LYS NZ :NH3+ -128:sc= 0.281 (180deg=-0.394!) USER MOD Single : A1963 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A1970 TYR OH : rot 180:sc= 0 USER MOD Single : A1971 THR OG1 : rot 155:sc= 1.46 USER MOD Single : A1974 SER OG : rot 180:sc= 0 USER MOD Single : A1980 GLN :FLIP amide:sc= 0 F(o=-2!,f=0) 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 -130:sc= 0 USER MOD Single : A1997 THR OG1 : rot 87:sc= 0.772 USER MOD Single : A1998 THR OG1 : rot 180:sc= 0.0532 USER MOD Single : A2000 ASN : amide:sc= -0.0554 K(o=-0.055,f=-7.5!) USER MOD Single : A2001 GLN : amide:sc= -0.0687 X(o=-0.069,f=0) USER MOD Single : A2003 TYR OH : rot 166:sc= -1.02 USER MOD Single : A2004 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2006 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2008 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2010 THR OG1 : rot 180:sc= 0 USER MOD Single : A2011 LYS NZ :NH3+ 162:sc= 0.387 (180deg=0.222) USER MOD Single : A2013 TYR OH : rot 180:sc= 0 USER MOD Single : A2015 TYR OH : rot 180:sc= 0 USER MOD Single : A2017 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A2022 SER OG : rot -61:sc= 0.985 USER MOD Single : A2024 TYR OH : rot 180:sc= 0 USER MOD Single : A2027 GLN : amide:sc= -0.405 X(o=-0.4,f=0) USER MOD Single : A2030 SER OG : rot -72:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 252 N ASN A1953 12.003 -3.976 0.799 1.00 0.00 N ATOM 253 CA ASN A1953 11.966 -3.225 2.051 1.00 0.00 C ATOM 254 C ASN A1953 10.576 -2.626 2.229 1.00 0.00 C ATOM 255 O ASN A1953 9.934 -2.281 1.248 1.00 0.00 O ATOM 256 CB ASN A1953 12.969 -2.071 1.939 1.00 0.00 C ATOM 257 CG ASN A1953 12.802 -0.981 2.985 1.00 0.00 C ATOM 258 OD1 ASN A1953 12.694 -1.223 4.184 1.00 0.00 O ATOM 259 ND2 ASN A1953 12.716 0.250 2.527 1.00 0.00 N ATOM 0 HA ASN A1953 12.206 -3.877 2.891 1.00 0.00 H new ATOM 0 HB2 ASN A1953 13.978 -2.476 2.014 1.00 0.00 H new ATOM 0 HB3 ASN A1953 12.878 -1.623 0.949 1.00 0.00 H new ATOM 0 HD21 ASN A1953 12.557 1.024 3.172 1.00 0.00 H new ATOM 0 HD22 ASN A1953 12.809 0.430 1.527 1.00 0.00 H new ATOM 266 N LEU A1954 10.149 -2.397 3.465 1.00 0.00 N ATOM 267 CA LEU A1954 8.856 -1.815 3.804 1.00 0.00 C ATOM 268 C LEU A1954 8.540 -0.547 3.019 1.00 0.00 C ATOM 269 O LEU A1954 7.416 -0.351 2.548 1.00 0.00 O ATOM 270 CB LEU A1954 8.884 -1.451 5.304 1.00 0.00 C ATOM 271 CG LEU A1954 7.856 -2.198 6.162 1.00 0.00 C ATOM 272 CD1 LEU A1954 6.451 -1.992 5.591 1.00 0.00 C ATOM 273 CD2 LEU A1954 8.217 -3.675 6.311 1.00 0.00 C ATOM 0 H LEU A1954 10.712 -2.619 4.286 1.00 0.00 H new ATOM 0 HA LEU A1954 8.089 -2.549 3.558 1.00 0.00 H new ATOM 0 HB2 LEU A1954 9.881 -1.655 5.695 1.00 0.00 H new ATOM 0 HB3 LEU A1954 8.714 -0.379 5.407 1.00 0.00 H new ATOM 0 HG LEU A1954 7.870 -1.782 7.169 1.00 0.00 H new ATOM 0 HD11 LEU A1954 5.726 -2.526 6.206 1.00 0.00 H new ATOM 0 HD12 LEU A1954 6.212 -0.929 5.589 1.00 0.00 H new ATOM 0 HD13 LEU A1954 6.413 -2.375 4.571 1.00 0.00 H new ATOM 0 HD21 LEU A1954 7.467 -4.173 6.925 1.00 0.00 H new ATOM 0 HD22 LEU A1954 8.249 -4.143 5.327 1.00 0.00 H new ATOM 0 HD23 LEU A1954 9.193 -3.765 6.787 1.00 0.00 H new ATOM 285 N SER A1955 9.529 0.340 2.915 1.00 0.00 N ATOM 286 CA SER A1955 9.371 1.593 2.210 1.00 0.00 C ATOM 287 C SER A1955 9.073 1.369 0.727 1.00 0.00 C ATOM 288 O SER A1955 8.331 2.180 0.178 1.00 0.00 O ATOM 289 CB SER A1955 10.568 2.522 2.443 1.00 0.00 C ATOM 290 OG SER A1955 11.109 2.384 3.755 1.00 0.00 O ATOM 0 H SER A1955 10.456 0.203 3.319 1.00 0.00 H new ATOM 0 HA SER A1955 8.501 2.102 2.624 1.00 0.00 H new ATOM 0 HB2 SER A1955 11.343 2.305 1.708 1.00 0.00 H new ATOM 0 HB3 SER A1955 10.260 3.556 2.286 1.00 0.00 H new ATOM 0 HG SER A1955 11.870 2.992 3.861 1.00 0.00 H new ATOM 296 N GLU A1956 9.627 0.322 0.090 1.00 0.00 N ATOM 297 CA GLU A1956 9.394 0.042 -1.332 1.00 0.00 C ATOM 298 C GLU A1956 7.904 -0.063 -1.649 1.00 0.00 C ATOM 299 O GLU A1956 7.416 0.642 -2.527 1.00 0.00 O ATOM 300 CB GLU A1956 10.071 -1.275 -1.751 1.00 0.00 C ATOM 301 CG GLU A1956 11.605 -1.211 -1.791 1.00 0.00 C ATOM 302 CD GLU A1956 12.167 -1.356 -3.210 1.00 0.00 C ATOM 303 OE1 GLU A1956 11.982 -2.419 -3.843 1.00 0.00 O ATOM 304 OE2 GLU A1956 12.851 -0.414 -3.685 1.00 0.00 O ATOM 0 H GLU A1956 10.245 -0.349 0.546 1.00 0.00 H new ATOM 0 HA GLU A1956 9.823 0.876 -1.888 1.00 0.00 H new ATOM 0 HB2 GLU A1956 9.770 -2.061 -1.059 1.00 0.00 H new ATOM 0 HB3 GLU A1956 9.705 -1.561 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A1956 11.936 -0.262 -1.369 1.00 0.00 H new ATOM 0 HG3 GLU A1956 12.014 -2.000 -1.160 1.00 0.00 H new ATOM 311 N ILE A1957 7.177 -0.892 -0.902 1.00 0.00 N ATOM 312 CA ILE A1957 5.758 -1.106 -1.106 1.00 0.00 C ATOM 313 C ILE A1957 4.990 0.131 -0.668 1.00 0.00 C ATOM 314 O ILE A1957 4.131 0.591 -1.407 1.00 0.00 O ATOM 315 CB ILE A1957 5.281 -2.363 -0.353 1.00 0.00 C ATOM 316 CG1 ILE A1957 6.247 -3.565 -0.458 1.00 0.00 C ATOM 317 CG2 ILE A1957 3.878 -2.795 -0.783 1.00 0.00 C ATOM 318 CD1 ILE A1957 7.001 -3.733 0.856 1.00 0.00 C ATOM 0 H ILE A1957 7.567 -1.436 -0.132 1.00 0.00 H new ATOM 0 HA ILE A1957 5.568 -1.274 -2.166 1.00 0.00 H new ATOM 0 HB ILE A1957 5.259 -2.058 0.693 1.00 0.00 H new ATOM 0 HG12 ILE A1957 5.690 -4.473 -0.687 1.00 0.00 H new ATOM 0 HG13 ILE A1957 6.951 -3.408 -1.275 1.00 0.00 H new ATOM 0 HG21 ILE A1957 3.584 -3.685 -0.226 1.00 0.00 H new ATOM 0 HG22 ILE A1957 3.171 -1.990 -0.580 1.00 0.00 H new ATOM 0 HG23 ILE A1957 3.877 -3.019 -1.850 1.00 0.00 H new ATOM 0 HD11 ILE A1957 7.681 -4.581 0.779 1.00 0.00 H new ATOM 0 HD12 ILE A1957 7.571 -2.828 1.067 1.00 0.00 H new ATOM 0 HD13 ILE A1957 6.290 -3.910 1.663 1.00 0.00 H new ATOM 330 N LYS A1958 5.282 0.706 0.507 1.00 0.00 N ATOM 331 CA LYS A1958 4.560 1.885 0.975 1.00 0.00 C ATOM 332 C LYS A1958 4.570 3.018 -0.044 1.00 0.00 C ATOM 333 O LYS A1958 3.508 3.528 -0.397 1.00 0.00 O ATOM 334 CB LYS A1958 5.163 2.319 2.317 1.00 0.00 C ATOM 335 CG LYS A1958 4.868 3.766 2.731 1.00 0.00 C ATOM 336 CD LYS A1958 6.125 4.633 2.633 1.00 0.00 C ATOM 337 CE LYS A1958 7.043 4.395 3.823 1.00 0.00 C ATOM 338 NZ LYS A1958 7.927 5.556 4.023 1.00 0.00 N ATOM 0 H LYS A1958 6.008 0.373 1.142 1.00 0.00 H new ATOM 0 HA LYS A1958 3.509 1.628 1.109 1.00 0.00 H new ATOM 0 HB2 LYS A1958 4.792 1.653 3.096 1.00 0.00 H new ATOM 0 HB3 LYS A1958 6.244 2.185 2.271 1.00 0.00 H new ATOM 0 HG2 LYS A1958 4.087 4.178 2.092 1.00 0.00 H new ATOM 0 HG3 LYS A1958 4.488 3.785 3.752 1.00 0.00 H new ATOM 0 HD2 LYS A1958 6.656 4.407 1.708 1.00 0.00 H new ATOM 0 HD3 LYS A1958 5.844 5.685 2.590 1.00 0.00 H new ATOM 0 HE2 LYS A1958 6.449 4.222 4.721 1.00 0.00 H new ATOM 0 HE3 LYS A1958 7.640 3.498 3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A1958 8.549 5.382 4.838 1.00 0.00 H new ATOM 0 HZ2 LYS A1958 8.505 5.703 3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A1958 7.352 6.404 4.201 1.00 0.00 H new ATOM 352 N GLN A1959 5.752 3.415 -0.512 1.00 0.00 N ATOM 353 CA GLN A1959 5.827 4.511 -1.465 1.00 0.00 C ATOM 354 C GLN A1959 5.100 4.159 -2.769 1.00 0.00 C ATOM 355 O GLN A1959 4.475 5.022 -3.373 1.00 0.00 O ATOM 356 CB GLN A1959 7.272 4.988 -1.674 1.00 0.00 C ATOM 357 CG GLN A1959 8.220 3.956 -2.300 1.00 0.00 C ATOM 358 CD GLN A1959 8.687 4.303 -3.705 1.00 0.00 C ATOM 359 OE1 GLN A1959 8.743 3.321 -4.582 1.00 0.00 O flip ATOM 360 NE2 GLN A1959 9.048 5.439 -3.996 1.00 0.00 N flip ATOM 0 H GLN A1959 6.649 3.004 -0.253 1.00 0.00 H new ATOM 0 HA GLN A1959 5.299 5.367 -1.044 1.00 0.00 H new ATOM 0 HB2 GLN A1959 7.256 5.874 -2.308 1.00 0.00 H new ATOM 0 HB3 GLN A1959 7.679 5.293 -0.710 1.00 0.00 H new ATOM 0 HG2 GLN A1959 9.093 3.846 -1.657 1.00 0.00 H new ATOM 0 HG3 GLN A1959 7.719 2.989 -2.325 1.00 0.00 H new ATOM 0 HE21 GLN A1959 8.996 6.184 -3.302 1.00 0.00 H new ATOM 0 HE22 GLN A1959 9.400 5.638 -4.932 1.00 0.00 H new ATOM 369 N VAL A1960 5.160 2.897 -3.200 1.00 0.00 N ATOM 370 CA VAL A1960 4.498 2.439 -4.414 1.00 0.00 C ATOM 371 C VAL A1960 2.988 2.581 -4.216 1.00 0.00 C ATOM 372 O VAL A1960 2.295 3.174 -5.041 1.00 0.00 O ATOM 373 CB VAL A1960 4.962 0.998 -4.726 1.00 0.00 C ATOM 374 CG1 VAL A1960 3.923 0.126 -5.423 1.00 0.00 C ATOM 375 CG2 VAL A1960 6.236 1.038 -5.572 1.00 0.00 C ATOM 0 H VAL A1960 5.673 2.164 -2.711 1.00 0.00 H new ATOM 0 HA VAL A1960 4.764 3.039 -5.284 1.00 0.00 H new ATOM 0 HB VAL A1960 5.140 0.534 -3.756 1.00 0.00 H new ATOM 0 HG11 VAL A1960 4.340 -0.865 -5.600 1.00 0.00 H new ATOM 0 HG12 VAL A1960 3.038 0.040 -4.793 1.00 0.00 H new ATOM 0 HG13 VAL A1960 3.647 0.579 -6.375 1.00 0.00 H new ATOM 0 HG21 VAL A1960 6.560 0.020 -5.790 1.00 0.00 H new ATOM 0 HG22 VAL A1960 6.036 1.563 -6.506 1.00 0.00 H new ATOM 0 HG23 VAL A1960 7.021 1.559 -5.024 1.00 0.00 H new ATOM 385 N LEU A1961 2.467 2.065 -3.102 1.00 0.00 N ATOM 386 CA LEU A1961 1.060 2.123 -2.762 1.00 0.00 C ATOM 387 C LEU A1961 0.587 3.577 -2.749 1.00 0.00 C ATOM 388 O LEU A1961 -0.571 3.802 -3.066 1.00 0.00 O ATOM 389 CB LEU A1961 0.815 1.466 -1.401 1.00 0.00 C ATOM 390 CG LEU A1961 0.933 -0.062 -1.343 1.00 0.00 C ATOM 391 CD1 LEU A1961 0.943 -0.467 0.131 1.00 0.00 C ATOM 392 CD2 LEU A1961 -0.187 -0.759 -2.121 1.00 0.00 C ATOM 0 H LEU A1961 3.031 1.586 -2.400 1.00 0.00 H new ATOM 0 HA LEU A1961 0.491 1.576 -3.514 1.00 0.00 H new ATOM 0 HB2 LEU A1961 1.521 1.889 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU A1961 -0.184 1.743 -1.064 1.00 0.00 H new ATOM 0 HG LEU A1961 1.857 -0.380 -1.825 1.00 0.00 H new ATOM 0 HD11 LEU A1961 1.026 -1.551 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A1961 1.792 -0.001 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A1961 0.018 -0.139 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A1961 -0.061 -1.839 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A1961 -1.152 -0.478 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A1961 -0.146 -0.456 -3.167 1.00 0.00 H new ATOM 404 N LYS A1962 1.425 4.564 -2.397 1.00 0.00 N ATOM 405 CA LYS A1962 1.006 5.962 -2.395 1.00 0.00 C ATOM 406 C LYS A1962 0.588 6.373 -3.797 1.00 0.00 C ATOM 407 O LYS A1962 -0.541 6.828 -3.964 1.00 0.00 O ATOM 408 CB LYS A1962 2.114 6.895 -1.873 1.00 0.00 C ATOM 409 CG LYS A1962 1.772 8.342 -2.217 1.00 0.00 C ATOM 410 CD LYS A1962 2.204 9.353 -1.166 1.00 0.00 C ATOM 411 CE LYS A1962 3.692 9.651 -1.127 1.00 0.00 C ATOM 412 NZ LYS A1962 4.445 8.648 -0.346 1.00 0.00 N ATOM 0 H LYS A1962 2.393 4.414 -2.112 1.00 0.00 H new ATOM 0 HA LYS A1962 0.158 6.056 -1.717 1.00 0.00 H new ATOM 0 HB2 LYS A1962 2.219 6.783 -0.794 1.00 0.00 H new ATOM 0 HB3 LYS A1962 3.072 6.622 -2.317 1.00 0.00 H new ATOM 0 HG2 LYS A1962 2.242 8.599 -3.166 1.00 0.00 H new ATOM 0 HG3 LYS A1962 0.695 8.424 -2.362 1.00 0.00 H new ATOM 0 HD2 LYS A1962 1.668 10.286 -1.340 1.00 0.00 H new ATOM 0 HD3 LYS A1962 1.897 8.987 -0.186 1.00 0.00 H new ATOM 0 HE2 LYS A1962 4.081 9.682 -2.145 1.00 0.00 H new ATOM 0 HE3 LYS A1962 3.851 10.639 -0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A1962 5.034 9.130 0.363 1.00 0.00 H new ATOM 0 HZ2 LYS A1962 3.779 8.010 0.134 1.00 0.00 H new ATOM 0 HZ3 LYS A1962 5.053 8.096 -0.984 1.00 0.00 H new ATOM 426 N GLN A1963 1.483 6.229 -4.772 1.00 0.00 N ATOM 427 CA GLN A1963 1.196 6.613 -6.146 1.00 0.00 C ATOM 428 C GLN A1963 -0.080 5.930 -6.636 1.00 0.00 C ATOM 429 O GLN A1963 -0.921 6.554 -7.278 1.00 0.00 O ATOM 430 CB GLN A1963 2.418 6.388 -7.071 1.00 0.00 C ATOM 431 CG GLN A1963 2.456 5.079 -7.878 1.00 0.00 C ATOM 432 CD GLN A1963 3.696 4.926 -8.761 1.00 0.00 C ATOM 433 OE1 GLN A1963 4.363 5.883 -9.155 1.00 0.00 O ATOM 434 NE2 GLN A1963 4.050 3.708 -9.127 1.00 0.00 N ATOM 0 H GLN A1963 2.418 5.846 -4.631 1.00 0.00 H new ATOM 0 HA GLN A1963 1.007 7.686 -6.179 1.00 0.00 H new ATOM 0 HB2 GLN A1963 2.468 7.220 -7.774 1.00 0.00 H new ATOM 0 HB3 GLN A1963 3.319 6.434 -6.459 1.00 0.00 H new ATOM 0 HG2 GLN A1963 2.409 4.237 -7.187 1.00 0.00 H new ATOM 0 HG3 GLN A1963 1.567 5.026 -8.506 1.00 0.00 H new ATOM 0 HE21 GLN A1963 3.510 2.903 -8.810 1.00 0.00 H new ATOM 0 HE22 GLN A1963 4.864 3.572 -9.726 1.00 0.00 H new ATOM 443 N GLN A1964 -0.216 4.647 -6.291 1.00 0.00 N ATOM 444 CA GLN A1964 -1.351 3.825 -6.685 1.00 0.00 C ATOM 445 C GLN A1964 -2.640 4.264 -5.984 1.00 0.00 C ATOM 446 O GLN A1964 -3.722 4.031 -6.517 1.00 0.00 O ATOM 447 CB GLN A1964 -1.062 2.340 -6.393 1.00 0.00 C ATOM 448 CG GLN A1964 0.215 1.789 -7.059 1.00 0.00 C ATOM 449 CD GLN A1964 -0.069 0.610 -7.990 1.00 0.00 C ATOM 450 OE1 GLN A1964 -0.258 0.771 -9.193 1.00 0.00 O ATOM 451 NE2 GLN A1964 -0.092 -0.610 -7.477 1.00 0.00 N ATOM 0 H GLN A1964 0.470 4.149 -5.724 1.00 0.00 H new ATOM 0 HA GLN A1964 -1.498 3.956 -7.757 1.00 0.00 H new ATOM 0 HB2 GLN A1964 -0.980 2.205 -5.314 1.00 0.00 H new ATOM 0 HB3 GLN A1964 -1.914 1.746 -6.725 1.00 0.00 H new ATOM 0 HG2 GLN A1964 0.698 2.586 -7.625 1.00 0.00 H new ATOM 0 HG3 GLN A1964 0.917 1.476 -6.286 1.00 0.00 H new ATOM 0 HE21 GLN A1964 0.065 -0.746 -6.478 1.00 0.00 H new ATOM 0 HE22 GLN A1964 -0.266 -1.414 -8.080 1.00 0.00 H new ATOM 460 N LEU A1965 -2.553 4.840 -4.783 1.00 0.00 N ATOM 461 CA LEU A1965 -3.692 5.297 -4.003 1.00 0.00 C ATOM 462 C LEU A1965 -4.133 6.654 -4.519 1.00 0.00 C ATOM 463 O LEU A1965 -5.320 6.839 -4.763 1.00 0.00 O ATOM 464 CB LEU A1965 -3.312 5.349 -2.503 1.00 0.00 C ATOM 465 CG LEU A1965 -4.440 5.605 -1.482 1.00 0.00 C ATOM 466 CD1 LEU A1965 -4.797 7.070 -1.284 1.00 0.00 C ATOM 467 CD2 LEU A1965 -5.673 4.741 -1.736 1.00 0.00 C ATOM 0 H LEU A1965 -1.660 5.003 -4.318 1.00 0.00 H new ATOM 0 HA LEU A1965 -4.526 4.603 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A1965 -2.836 4.403 -2.245 1.00 0.00 H new ATOM 0 HB3 LEU A1965 -2.561 6.129 -2.375 1.00 0.00 H new ATOM 0 HG LEU A1965 -4.015 5.289 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A1965 -5.598 7.153 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A1965 -3.921 7.613 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A1965 -5.128 7.495 -2.232 1.00 0.00 H new ATOM 0 HD21 LEU A1965 -6.434 4.964 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A1965 -6.068 4.954 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A1965 -5.399 3.688 -1.673 1.00 0.00 H new ATOM 479 N ALA A1966 -3.193 7.583 -4.727 1.00 0.00 N ATOM 480 CA ALA A1966 -3.535 8.911 -5.196 1.00 0.00 C ATOM 481 C ALA A1966 -4.263 8.861 -6.536 1.00 0.00 C ATOM 482 O ALA A1966 -5.267 9.548 -6.697 1.00 0.00 O ATOM 483 CB ALA A1966 -2.299 9.823 -5.287 1.00 0.00 C ATOM 0 H ALA A1966 -2.196 7.431 -4.576 1.00 0.00 H new ATOM 0 HA ALA A1966 -4.212 9.340 -4.457 1.00 0.00 H new ATOM 0 HB1 ALA A1966 -2.599 10.809 -5.642 1.00 0.00 H new ATOM 0 HB2 ALA A1966 -1.842 9.916 -4.302 1.00 0.00 H new ATOM 0 HB3 ALA A1966 -1.578 9.391 -5.981 1.00 0.00 H new ATOM 489 N GLU A1967 -3.804 8.034 -7.479 1.00 0.00 N ATOM 490 CA GLU A1967 -4.461 7.947 -8.788 1.00 0.00 C ATOM 491 C GLU A1967 -5.875 7.363 -8.678 1.00 0.00 C ATOM 492 O GLU A1967 -6.793 7.768 -9.396 1.00 0.00 O ATOM 493 CB GLU A1967 -3.608 7.177 -9.807 1.00 0.00 C ATOM 494 CG GLU A1967 -3.410 5.678 -9.538 1.00 0.00 C ATOM 495 CD GLU A1967 -2.629 4.984 -10.657 1.00 0.00 C ATOM 496 OE1 GLU A1967 -3.016 5.130 -11.845 1.00 0.00 O ATOM 497 OE2 GLU A1967 -1.675 4.223 -10.381 1.00 0.00 O ATOM 0 H GLU A1967 -2.994 7.424 -7.366 1.00 0.00 H new ATOM 0 HA GLU A1967 -4.562 8.967 -9.160 1.00 0.00 H new ATOM 0 HB2 GLU A1967 -4.065 7.290 -10.790 1.00 0.00 H new ATOM 0 HB3 GLU A1967 -2.626 7.648 -9.856 1.00 0.00 H new ATOM 0 HG2 GLU A1967 -2.881 5.548 -8.594 1.00 0.00 H new ATOM 0 HG3 GLU A1967 -4.383 5.200 -9.427 1.00 0.00 H new ATOM 504 N ALA A1968 -6.066 6.408 -7.768 1.00 0.00 N ATOM 505 CA ALA A1968 -7.358 5.773 -7.544 1.00 0.00 C ATOM 506 C ALA A1968 -8.323 6.758 -6.881 1.00 0.00 C ATOM 507 O ALA A1968 -9.518 6.743 -7.186 1.00 0.00 O ATOM 508 CB ALA A1968 -7.178 4.509 -6.706 1.00 0.00 C ATOM 0 H ALA A1968 -5.324 6.054 -7.165 1.00 0.00 H new ATOM 0 HA ALA A1968 -7.790 5.482 -8.501 1.00 0.00 H new ATOM 0 HB1 ALA A1968 -8.148 4.040 -6.543 1.00 0.00 H new ATOM 0 HB2 ALA A1968 -6.523 3.814 -7.231 1.00 0.00 H new ATOM 0 HB3 ALA A1968 -6.735 4.770 -5.745 1.00 0.00 H new ATOM 514 N LEU A1969 -7.815 7.621 -5.996 1.00 0.00 N ATOM 515 CA LEU A1969 -8.600 8.627 -5.286 1.00 0.00 C ATOM 516 C LEU A1969 -8.623 9.964 -6.052 1.00 0.00 C ATOM 517 O LEU A1969 -9.065 10.983 -5.518 1.00 0.00 O ATOM 518 CB LEU A1969 -8.085 8.821 -3.852 1.00 0.00 C ATOM 519 CG LEU A1969 -8.161 7.553 -2.979 1.00 0.00 C ATOM 520 CD1 LEU A1969 -8.025 7.957 -1.520 1.00 0.00 C ATOM 521 CD2 LEU A1969 -9.472 6.777 -3.126 1.00 0.00 C ATOM 0 H LEU A1969 -6.825 7.637 -5.750 1.00 0.00 H new ATOM 0 HA LEU A1969 -9.626 8.262 -5.227 1.00 0.00 H new ATOM 0 HB2 LEU A1969 -7.050 9.160 -3.892 1.00 0.00 H new ATOM 0 HB3 LEU A1969 -8.662 9.613 -3.374 1.00 0.00 H new ATOM 0 HG LEU A1969 -7.355 6.900 -3.313 1.00 0.00 H new ATOM 0 HD11 LEU A1969 -8.077 7.069 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A1969 -7.067 8.454 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU A1969 -8.833 8.638 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A1969 -9.449 5.899 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A1969 -10.307 7.416 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU A1969 -9.594 6.463 -4.162 1.00 0.00 H new ATOM 533 N TYR A1970 -8.141 9.956 -7.296 1.00 0.00 N ATOM 534 CA TYR A1970 -8.053 11.063 -8.229 1.00 0.00 C ATOM 535 C TYR A1970 -7.418 12.333 -7.642 1.00 0.00 C ATOM 536 O TYR A1970 -7.998 13.422 -7.656 1.00 0.00 O ATOM 537 CB TYR A1970 -9.424 11.271 -8.886 1.00 0.00 C ATOM 538 CG TYR A1970 -9.409 12.220 -10.066 1.00 0.00 C ATOM 539 CD1 TYR A1970 -8.529 11.996 -11.142 1.00 0.00 C ATOM 540 CD2 TYR A1970 -10.268 13.333 -10.080 1.00 0.00 C ATOM 541 CE1 TYR A1970 -8.496 12.883 -12.229 1.00 0.00 C ATOM 542 CE2 TYR A1970 -10.248 14.220 -11.167 1.00 0.00 C ATOM 543 CZ TYR A1970 -9.353 14.002 -12.236 1.00 0.00 C ATOM 544 OH TYR A1970 -9.270 14.903 -13.248 1.00 0.00 O ATOM 0 H TYR A1970 -7.772 9.097 -7.704 1.00 0.00 H new ATOM 0 HA TYR A1970 -7.343 10.802 -9.013 1.00 0.00 H new ATOM 0 HB2 TYR A1970 -9.807 10.305 -9.216 1.00 0.00 H new ATOM 0 HB3 TYR A1970 -10.119 11.651 -8.137 1.00 0.00 H new ATOM 0 HD1 TYR A1970 -7.875 11.136 -11.131 1.00 0.00 H new ATOM 0 HD2 TYR A1970 -10.943 13.505 -9.255 1.00 0.00 H new ATOM 0 HE1 TYR A1970 -7.820 12.710 -13.053 1.00 0.00 H new ATOM 0 HE2 TYR A1970 -10.916 15.068 -11.185 1.00 0.00 H new ATOM 0 HH TYR A1970 -9.929 15.615 -13.107 1.00 0.00 H new ATOM 554 N THR A1971 -6.187 12.201 -7.149 1.00 0.00 N ATOM 555 CA THR A1971 -5.411 13.287 -6.567 1.00 0.00 C ATOM 556 C THR A1971 -3.922 13.128 -6.921 1.00 0.00 C ATOM 557 O THR A1971 -3.567 12.405 -7.859 1.00 0.00 O ATOM 558 CB THR A1971 -5.709 13.378 -5.061 1.00 0.00 C ATOM 559 OG1 THR A1971 -5.288 14.666 -4.663 1.00 0.00 O ATOM 560 CG2 THR A1971 -5.032 12.282 -4.225 1.00 0.00 C ATOM 0 H THR A1971 -5.691 11.309 -7.145 1.00 0.00 H new ATOM 0 HA THR A1971 -5.704 14.247 -6.992 1.00 0.00 H new ATOM 0 HB THR A1971 -6.773 13.219 -4.886 1.00 0.00 H new ATOM 0 HG1 THR A1971 -5.784 14.940 -3.863 1.00 0.00 H new ATOM 0 HG21 THR A1971 -5.290 12.414 -3.174 1.00 0.00 H new ATOM 0 HG22 THR A1971 -5.374 11.304 -4.562 1.00 0.00 H new ATOM 0 HG23 THR A1971 -3.951 12.349 -4.344 1.00 0.00 H new ATOM 568 N GLU A1972 -3.060 13.865 -6.224 1.00 0.00 N ATOM 569 CA GLU A1972 -1.614 13.888 -6.339 1.00 0.00 C ATOM 570 C GLU A1972 -1.033 13.289 -5.073 1.00 0.00 C ATOM 571 O GLU A1972 -1.536 13.481 -3.969 1.00 0.00 O ATOM 572 CB GLU A1972 -1.108 15.326 -6.444 1.00 0.00 C ATOM 573 CG GLU A1972 -1.468 16.001 -7.762 1.00 0.00 C ATOM 574 CD GLU A1972 -1.122 17.478 -7.643 1.00 0.00 C ATOM 575 OE1 GLU A1972 0.075 17.822 -7.762 1.00 0.00 O ATOM 576 OE2 GLU A1972 -2.013 18.297 -7.334 1.00 0.00 O ATOM 0 H GLU A1972 -3.388 14.512 -5.507 1.00 0.00 H new ATOM 0 HA GLU A1972 -1.317 13.331 -7.228 1.00 0.00 H new ATOM 0 HB2 GLU A1972 -1.521 15.909 -5.621 1.00 0.00 H new ATOM 0 HB3 GLU A1972 -0.024 15.331 -6.326 1.00 0.00 H new ATOM 0 HG2 GLU A1972 -0.918 15.546 -8.586 1.00 0.00 H new ATOM 0 HG3 GLU A1972 -2.529 15.874 -7.978 1.00 0.00 H new ATOM 583 N GLU A1973 0.109 12.637 -5.210 1.00 0.00 N ATOM 584 CA GLU A1973 0.781 12.004 -4.089 1.00 0.00 C ATOM 585 C GLU A1973 1.243 12.995 -3.027 1.00 0.00 C ATOM 586 O GLU A1973 1.495 12.628 -1.880 1.00 0.00 O ATOM 587 CB GLU A1973 2.014 11.266 -4.603 1.00 0.00 C ATOM 588 CG GLU A1973 1.754 10.364 -5.808 1.00 0.00 C ATOM 589 CD GLU A1973 3.068 9.672 -6.203 1.00 0.00 C ATOM 590 OE1 GLU A1973 3.642 8.928 -5.375 1.00 0.00 O ATOM 591 OE2 GLU A1973 3.618 10.005 -7.276 1.00 0.00 O ATOM 0 H GLU A1973 0.596 12.532 -6.100 1.00 0.00 H new ATOM 0 HA GLU A1973 0.057 11.331 -3.629 1.00 0.00 H new ATOM 0 HB2 GLU A1973 2.775 11.999 -4.871 1.00 0.00 H new ATOM 0 HB3 GLU A1973 2.424 10.661 -3.794 1.00 0.00 H new ATOM 0 HG2 GLU A1973 0.994 9.621 -5.566 1.00 0.00 H new ATOM 0 HG3 GLU A1973 1.371 10.951 -6.643 1.00 0.00 H new ATOM 598 N SER A1974 1.358 14.259 -3.407 1.00 0.00 N ATOM 599 CA SER A1974 1.788 15.335 -2.540 1.00 0.00 C ATOM 600 C SER A1974 0.801 15.574 -1.395 1.00 0.00 C ATOM 601 O SER A1974 1.151 16.288 -0.449 1.00 0.00 O ATOM 602 CB SER A1974 1.920 16.608 -3.379 1.00 0.00 C ATOM 603 OG SER A1974 2.613 16.370 -4.597 1.00 0.00 O ATOM 0 H SER A1974 1.147 14.569 -4.356 1.00 0.00 H new ATOM 0 HA SER A1974 2.744 15.062 -2.094 1.00 0.00 H new ATOM 0 HB2 SER A1974 0.928 17.004 -3.597 1.00 0.00 H new ATOM 0 HB3 SER A1974 2.447 17.369 -2.804 1.00 0.00 H new ATOM 0 HG SER A1974 2.676 17.205 -5.106 1.00 0.00 H new ATOM 609 N GLU A1975 -0.401 14.984 -1.463 1.00 0.00 N ATOM 610 CA GLU A1975 -1.436 15.155 -0.449 1.00 0.00 C ATOM 611 C GLU A1975 -1.618 13.958 0.487 1.00 0.00 C ATOM 612 O GLU A1975 -2.201 14.086 1.571 1.00 0.00 O ATOM 613 CB GLU A1975 -2.760 15.496 -1.161 1.00 0.00 C ATOM 614 CG GLU A1975 -3.652 14.333 -1.633 1.00 0.00 C ATOM 615 CD GLU A1975 -5.125 14.716 -1.463 1.00 0.00 C ATOM 616 OE1 GLU A1975 -5.636 15.539 -2.257 1.00 0.00 O ATOM 617 OE2 GLU A1975 -5.784 14.230 -0.522 1.00 0.00 O ATOM 0 H GLU A1975 -0.678 14.372 -2.230 1.00 0.00 H new ATOM 0 HA GLU A1975 -1.115 15.967 0.204 1.00 0.00 H new ATOM 0 HB2 GLU A1975 -3.351 16.116 -0.487 1.00 0.00 H new ATOM 0 HB3 GLU A1975 -2.522 16.108 -2.031 1.00 0.00 H new ATOM 0 HG2 GLU A1975 -3.444 14.102 -2.678 1.00 0.00 H new ATOM 0 HG3 GLU A1975 -3.430 13.434 -1.058 1.00 0.00 H new ATOM 624 N ILE A1976 -1.141 12.795 0.062 1.00 0.00 N ATOM 625 CA ILE A1976 -1.259 11.527 0.755 1.00 0.00 C ATOM 626 C ILE A1976 -0.167 11.364 1.807 1.00 0.00 C ATOM 627 O ILE A1976 0.953 11.856 1.662 1.00 0.00 O ATOM 628 CB ILE A1976 -1.151 10.373 -0.273 1.00 0.00 C ATOM 629 CG1 ILE A1976 -1.733 10.624 -1.681 1.00 0.00 C ATOM 630 CG2 ILE A1976 -1.629 9.002 0.235 1.00 0.00 C ATOM 631 CD1 ILE A1976 -3.119 10.090 -1.991 1.00 0.00 C ATOM 0 H ILE A1976 -0.637 12.711 -0.821 1.00 0.00 H new ATOM 0 HA ILE A1976 -2.225 11.502 1.258 1.00 0.00 H new ATOM 0 HB ILE A1976 -0.068 10.350 -0.390 1.00 0.00 H new ATOM 0 HG12 ILE A1976 -1.746 11.701 -1.848 1.00 0.00 H new ATOM 0 HG13 ILE A1976 -1.042 10.197 -2.408 1.00 0.00 H new ATOM 0 HG21 ILE A1976 -1.514 8.261 -0.556 1.00 0.00 H new ATOM 0 HG22 ILE A1976 -1.034 8.706 1.099 1.00 0.00 H new ATOM 0 HG23 ILE A1976 -2.679 9.066 0.522 1.00 0.00 H new ATOM 0 HD11 ILE A1976 -3.387 10.346 -3.016 1.00 0.00 H new ATOM 0 HD12 ILE A1976 -3.126 9.006 -1.874 1.00 0.00 H new ATOM 0 HD13 ILE A1976 -3.841 10.534 -1.306 1.00 0.00 H new ATOM 643 N ALA A1977 -0.510 10.592 2.832 1.00 0.00 N ATOM 644 CA ALA A1977 0.342 10.227 3.944 1.00 0.00 C ATOM 645 C ALA A1977 0.346 8.712 4.035 1.00 0.00 C ATOM 646 O ALA A1977 -0.583 8.043 3.572 1.00 0.00 O ATOM 647 CB ALA A1977 -0.194 10.820 5.233 1.00 0.00 C ATOM 0 H ALA A1977 -1.442 10.185 2.908 1.00 0.00 H new ATOM 0 HA ALA A1977 1.352 10.609 3.792 1.00 0.00 H new ATOM 0 HB1 ALA A1977 0.456 10.538 6.061 1.00 0.00 H new ATOM 0 HB2 ALA A1977 -0.224 11.906 5.149 1.00 0.00 H new ATOM 0 HB3 ALA A1977 -1.200 10.443 5.416 1.00 0.00 H new ATOM 653 N GLU A1978 1.347 8.188 4.728 1.00 0.00 N ATOM 654 CA GLU A1978 1.574 6.762 4.931 1.00 0.00 C ATOM 655 C GLU A1978 0.942 6.234 6.211 1.00 0.00 C ATOM 656 O GLU A1978 0.834 5.023 6.364 1.00 0.00 O ATOM 657 CB GLU A1978 3.071 6.449 4.930 1.00 0.00 C ATOM 658 CG GLU A1978 3.981 7.380 4.133 1.00 0.00 C ATOM 659 CD GLU A1978 3.671 7.657 2.651 1.00 0.00 C ATOM 660 OE1 GLU A1978 3.989 6.831 1.775 1.00 0.00 O ATOM 661 OE2 GLU A1978 3.300 8.805 2.328 1.00 0.00 O ATOM 0 H GLU A1978 2.052 8.767 5.183 1.00 0.00 H new ATOM 0 HA GLU A1978 1.089 6.255 4.097 1.00 0.00 H new ATOM 0 HB2 GLU A1978 3.415 6.445 5.964 1.00 0.00 H new ATOM 0 HB3 GLU A1978 3.204 5.438 4.546 1.00 0.00 H new ATOM 0 HG2 GLU A1978 3.998 8.340 4.648 1.00 0.00 H new ATOM 0 HG3 GLU A1978 4.991 6.973 4.185 1.00 0.00 H new ATOM 668 N ASP A1979 0.506 7.126 7.097 1.00 0.00 N ATOM 669 CA ASP A1979 -0.121 6.842 8.382 1.00 0.00 C ATOM 670 C ASP A1979 -1.550 7.400 8.458 1.00 0.00 C ATOM 671 O ASP A1979 -2.191 7.298 9.505 1.00 0.00 O ATOM 672 CB ASP A1979 0.744 7.424 9.509 1.00 0.00 C ATOM 673 CG ASP A1979 0.609 8.944 9.611 1.00 0.00 C ATOM 674 OD1 ASP A1979 0.572 9.634 8.567 1.00 0.00 O ATOM 675 OD2 ASP A1979 0.571 9.478 10.746 1.00 0.00 O ATOM 0 H ASP A1979 0.587 8.128 6.925 1.00 0.00 H new ATOM 0 HA ASP A1979 -0.194 5.760 8.495 1.00 0.00 H new ATOM 0 HB2 ASP A1979 0.456 6.970 10.457 1.00 0.00 H new ATOM 0 HB3 ASP A1979 1.788 7.164 9.335 1.00 0.00 H new ATOM 680 N GLN A1980 -2.037 8.054 7.398 1.00 0.00 N ATOM 681 CA GLN A1980 -3.394 8.602 7.361 1.00 0.00 C ATOM 682 C GLN A1980 -4.269 7.559 6.701 1.00 0.00 C ATOM 683 O GLN A1980 -3.844 6.876 5.766 1.00 0.00 O ATOM 684 CB GLN A1980 -3.477 9.940 6.634 1.00 0.00 C ATOM 685 CG GLN A1980 -4.896 10.532 6.666 1.00 0.00 C ATOM 686 CD GLN A1980 -4.850 12.049 6.554 1.00 0.00 C ATOM 687 OE1 GLN A1980 -5.007 12.588 5.358 1.00 0.00 O flip ATOM 688 NE2 GLN A1980 -4.594 12.723 7.552 1.00 0.00 N flip ATOM 0 H GLN A1980 -1.502 8.217 6.545 1.00 0.00 H new ATOM 0 HA GLN A1980 -3.730 8.815 8.376 1.00 0.00 H new ATOM 0 HB2 GLN A1980 -2.781 10.644 7.091 1.00 0.00 H new ATOM 0 HB3 GLN A1980 -3.163 9.809 5.598 1.00 0.00 H new ATOM 0 HG2 GLN A1980 -5.486 10.120 5.847 1.00 0.00 H new ATOM 0 HG3 GLN A1980 -5.394 10.246 7.593 1.00 0.00 H new ATOM 0 HE21 GLN A1980 -4.480 12.269 8.458 1.00 0.00 H new ATOM 0 HE22 GLN A1980 -4.496 13.735 7.472 1.00 0.00 H new ATOM 697 N LYS A1981 -5.489 7.437 7.197 1.00 0.00 N ATOM 698 CA LYS A1981 -6.425 6.454 6.699 1.00 0.00 C ATOM 699 C LYS A1981 -6.893 6.798 5.304 1.00 0.00 C ATOM 700 O LYS A1981 -7.396 7.897 5.107 1.00 0.00 O ATOM 701 CB LYS A1981 -7.615 6.305 7.660 1.00 0.00 C ATOM 702 CG LYS A1981 -7.216 6.238 9.137 1.00 0.00 C ATOM 703 CD LYS A1981 -6.243 5.102 9.458 1.00 0.00 C ATOM 704 CE LYS A1981 -5.360 5.418 10.663 1.00 0.00 C ATOM 705 NZ LYS A1981 -6.127 5.425 11.924 1.00 0.00 N ATOM 0 H LYS A1981 -5.854 8.016 7.953 1.00 0.00 H new ATOM 0 HA LYS A1981 -5.909 5.496 6.644 1.00 0.00 H new ATOM 0 HB2 LYS A1981 -8.294 7.145 7.515 1.00 0.00 H new ATOM 0 HB3 LYS A1981 -8.167 5.401 7.402 1.00 0.00 H new ATOM 0 HG2 LYS A1981 -6.762 7.186 9.425 1.00 0.00 H new ATOM 0 HG3 LYS A1981 -8.114 6.117 9.742 1.00 0.00 H new ATOM 0 HD2 LYS A1981 -6.806 4.189 9.652 1.00 0.00 H new ATOM 0 HD3 LYS A1981 -5.613 4.910 8.589 1.00 0.00 H new ATOM 0 HE2 LYS A1981 -4.560 4.681 10.729 1.00 0.00 H new ATOM 0 HE3 LYS A1981 -4.887 6.390 10.521 1.00 0.00 H new ATOM 0 HZ1 LYS A1981 -5.490 5.644 12.717 1.00 0.00 H new ATOM 0 HZ2 LYS A1981 -6.875 6.146 11.872 1.00 0.00 H new ATOM 0 HZ3 LYS A1981 -6.558 4.490 12.074 1.00 0.00 H new ATOM 719 N PHE A1982 -6.795 5.861 4.362 1.00 0.00 N ATOM 720 CA PHE A1982 -7.243 6.056 2.997 1.00 0.00 C ATOM 721 C PHE A1982 -8.673 6.592 2.964 1.00 0.00 C ATOM 722 O PHE A1982 -8.975 7.406 2.099 1.00 0.00 O ATOM 723 CB PHE A1982 -7.195 4.741 2.223 1.00 0.00 C ATOM 724 CG PHE A1982 -5.920 3.951 2.300 1.00 0.00 C ATOM 725 CD1 PHE A1982 -4.706 4.580 1.999 1.00 0.00 C ATOM 726 CD2 PHE A1982 -5.951 2.585 2.628 1.00 0.00 C ATOM 727 CE1 PHE A1982 -3.517 3.847 2.058 1.00 0.00 C ATOM 728 CE2 PHE A1982 -4.758 1.847 2.663 1.00 0.00 C ATOM 729 CZ PHE A1982 -3.538 2.480 2.382 1.00 0.00 C ATOM 0 H PHE A1982 -6.397 4.938 4.534 1.00 0.00 H new ATOM 0 HA PHE A1982 -6.574 6.781 2.533 1.00 0.00 H new ATOM 0 HB2 PHE A1982 -8.008 4.108 2.580 1.00 0.00 H new ATOM 0 HB3 PHE A1982 -7.396 4.958 1.174 1.00 0.00 H new ATOM 0 HD1 PHE A1982 -4.688 5.624 1.723 1.00 0.00 H new ATOM 0 HD2 PHE A1982 -6.891 2.104 2.853 1.00 0.00 H new ATOM 0 HE1 PHE A1982 -2.576 4.335 1.853 1.00 0.00 H new ATOM 0 HE2 PHE A1982 -4.779 0.795 2.906 1.00 0.00 H new ATOM 0 HZ PHE A1982 -2.617 1.918 2.415 1.00 0.00 H new ATOM 739 N VAL A1983 -9.556 6.153 3.873 1.00 0.00 N ATOM 740 CA VAL A1983 -10.942 6.619 3.926 1.00 0.00 C ATOM 741 C VAL A1983 -10.985 8.146 3.967 1.00 0.00 C ATOM 742 O VAL A1983 -11.817 8.741 3.288 1.00 0.00 O ATOM 743 CB VAL A1983 -11.731 5.996 5.099 1.00 0.00 C ATOM 744 CG1 VAL A1983 -12.004 4.501 4.875 1.00 0.00 C ATOM 745 CG2 VAL A1983 -11.045 6.171 6.460 1.00 0.00 C ATOM 0 H VAL A1983 -9.326 5.465 4.590 1.00 0.00 H new ATOM 0 HA VAL A1983 -11.438 6.282 3.016 1.00 0.00 H new ATOM 0 HB VAL A1983 -12.672 6.546 5.121 1.00 0.00 H new ATOM 0 HG11 VAL A1983 -12.561 4.102 5.723 1.00 0.00 H new ATOM 0 HG12 VAL A1983 -12.587 4.370 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A1983 -11.058 3.969 4.779 1.00 0.00 H new ATOM 0 HG21 VAL A1983 -11.655 5.710 7.237 1.00 0.00 H new ATOM 0 HG22 VAL A1983 -10.065 5.695 6.437 1.00 0.00 H new ATOM 0 HG23 VAL A1983 -10.927 7.233 6.674 1.00 0.00 H new ATOM 755 N ASP A1984 -10.084 8.784 4.717 1.00 0.00 N ATOM 756 CA ASP A1984 -10.017 10.234 4.829 1.00 0.00 C ATOM 757 C ASP A1984 -9.624 10.862 3.498 1.00 0.00 C ATOM 758 O ASP A1984 -10.189 11.890 3.127 1.00 0.00 O ATOM 759 CB ASP A1984 -9.033 10.622 5.927 1.00 0.00 C ATOM 760 CG ASP A1984 -8.920 12.133 6.049 1.00 0.00 C ATOM 761 OD1 ASP A1984 -8.102 12.733 5.326 1.00 0.00 O ATOM 762 OD2 ASP A1984 -9.543 12.686 6.985 1.00 0.00 O ATOM 0 H ASP A1984 -9.375 8.299 5.267 1.00 0.00 H new ATOM 0 HA ASP A1984 -11.004 10.613 5.094 1.00 0.00 H new ATOM 0 HB2 ASP A1984 -9.359 10.200 6.878 1.00 0.00 H new ATOM 0 HB3 ASP A1984 -8.053 10.197 5.709 1.00 0.00 H new ATOM 767 N LEU A1985 -8.685 10.228 2.781 1.00 0.00 N ATOM 768 CA LEU A1985 -8.224 10.679 1.464 1.00 0.00 C ATOM 769 C LEU A1985 -9.390 10.508 0.457 1.00 0.00 C ATOM 770 O LEU A1985 -9.377 11.105 -0.617 1.00 0.00 O ATOM 771 CB LEU A1985 -6.946 9.939 1.005 1.00 0.00 C ATOM 772 CG LEU A1985 -5.605 10.308 1.680 1.00 0.00 C ATOM 773 CD1 LEU A1985 -5.084 11.687 1.267 1.00 0.00 C ATOM 774 CD2 LEU A1985 -5.625 10.198 3.201 1.00 0.00 C ATOM 0 H LEU A1985 -8.221 9.379 3.104 1.00 0.00 H new ATOM 0 HA LEU A1985 -7.942 11.730 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A1985 -7.109 8.871 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A1985 -6.835 10.101 -0.067 1.00 0.00 H new ATOM 0 HG LEU A1985 -4.913 9.553 1.307 1.00 0.00 H new ATOM 0 HD11 LEU A1985 -4.140 11.887 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A1985 -4.927 11.709 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A1985 -5.813 12.449 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A1985 -4.648 10.473 3.599 1.00 0.00 H new ATOM 0 HD22 LEU A1985 -6.383 10.869 3.604 1.00 0.00 H new ATOM 0 HD23 LEU A1985 -5.858 9.173 3.489 1.00 0.00 H new ATOM 786 N GLY A1986 -10.403 9.686 0.780 1.00 0.00 N ATOM 787 CA GLY A1986 -11.591 9.421 -0.027 1.00 0.00 C ATOM 788 C GLY A1986 -11.805 7.953 -0.386 1.00 0.00 C ATOM 789 O GLY A1986 -12.573 7.667 -1.301 1.00 0.00 O ATOM 0 H GLY A1986 -10.409 9.165 1.657 1.00 0.00 H new ATOM 0 HA2 GLY A1986 -12.467 9.780 0.513 1.00 0.00 H new ATOM 0 HA3 GLY A1986 -11.524 10.000 -0.948 1.00 0.00 H new ATOM 793 N LEU A1987 -11.138 7.014 0.291 1.00 0.00 N ATOM 794 CA LEU A1987 -11.269 5.587 0.003 1.00 0.00 C ATOM 795 C LEU A1987 -12.583 5.060 0.519 1.00 0.00 C ATOM 796 O LEU A1987 -12.753 4.721 1.693 1.00 0.00 O ATOM 797 CB LEU A1987 -10.066 4.849 0.597 1.00 0.00 C ATOM 798 CG LEU A1987 -9.712 3.430 0.133 1.00 0.00 C ATOM 799 CD1 LEU A1987 -10.772 2.413 0.528 1.00 0.00 C ATOM 800 CD2 LEU A1987 -9.418 3.401 -1.367 1.00 0.00 C ATOM 0 H LEU A1987 -10.493 7.224 1.053 1.00 0.00 H new ATOM 0 HA LEU A1987 -11.273 5.419 -1.074 1.00 0.00 H new ATOM 0 HB2 LEU A1987 -9.189 5.472 0.422 1.00 0.00 H new ATOM 0 HB3 LEU A1987 -10.216 4.806 1.676 1.00 0.00 H new ATOM 0 HG LEU A1987 -8.800 3.136 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A1987 -10.476 1.424 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A1987 -10.875 2.398 1.613 1.00 0.00 H new ATOM 0 HD13 LEU A1987 -11.726 2.688 0.077 1.00 0.00 H new ATOM 0 HD21 LEU A1987 -9.170 2.384 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A1987 -10.297 3.739 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU A1987 -8.578 4.060 -1.586 1.00 0.00 H new ATOM 812 N ASP A1988 -13.504 4.885 -0.413 1.00 0.00 N ATOM 813 CA ASP A1988 -14.802 4.369 -0.059 1.00 0.00 C ATOM 814 C ASP A1988 -14.758 2.860 -0.216 1.00 0.00 C ATOM 815 O ASP A1988 -13.884 2.334 -0.905 1.00 0.00 O ATOM 816 CB ASP A1988 -15.897 4.961 -0.910 1.00 0.00 C ATOM 817 CG ASP A1988 -16.006 6.474 -0.822 1.00 0.00 C ATOM 818 OD1 ASP A1988 -16.268 6.996 0.288 1.00 0.00 O ATOM 819 OD2 ASP A1988 -15.907 7.134 -1.876 1.00 0.00 O ATOM 0 H ASP A1988 -13.375 5.091 -1.404 1.00 0.00 H new ATOM 0 HA ASP A1988 -15.031 4.643 0.971 1.00 0.00 H new ATOM 0 HB2 ASP A1988 -15.726 4.680 -1.949 1.00 0.00 H new ATOM 0 HB3 ASP A1988 -16.850 4.522 -0.614 1.00 0.00 H new ATOM 824 N SER A1989 -15.722 2.165 0.384 1.00 0.00 N ATOM 825 CA SER A1989 -15.777 0.719 0.347 1.00 0.00 C ATOM 826 C SER A1989 -15.728 0.097 -1.053 1.00 0.00 C ATOM 827 O SER A1989 -15.288 -1.046 -1.190 1.00 0.00 O ATOM 828 CB SER A1989 -17.036 0.275 1.065 1.00 0.00 C ATOM 829 OG SER A1989 -16.764 -0.996 1.610 1.00 0.00 O ATOM 0 H SER A1989 -16.484 2.596 0.908 1.00 0.00 H new ATOM 0 HA SER A1989 -14.873 0.362 0.840 1.00 0.00 H new ATOM 0 HB2 SER A1989 -17.305 0.983 1.849 1.00 0.00 H new ATOM 0 HB3 SER A1989 -17.879 0.228 0.375 1.00 0.00 H new ATOM 0 HG SER A1989 -17.555 -1.323 2.088 1.00 0.00 H new ATOM 834 N ILE A1990 -16.224 0.781 -2.088 1.00 0.00 N ATOM 835 CA ILE A1990 -16.198 0.246 -3.438 1.00 0.00 C ATOM 836 C ILE A1990 -14.776 0.384 -3.990 1.00 0.00 C ATOM 837 O ILE A1990 -14.241 -0.534 -4.611 1.00 0.00 O ATOM 838 CB ILE A1990 -17.220 0.996 -4.314 1.00 0.00 C ATOM 839 CG1 ILE A1990 -18.659 0.733 -3.827 1.00 0.00 C ATOM 840 CG2 ILE A1990 -17.085 0.554 -5.779 1.00 0.00 C ATOM 841 CD1 ILE A1990 -19.600 1.875 -4.219 1.00 0.00 C ATOM 0 H ILE A1990 -16.647 1.706 -2.009 1.00 0.00 H new ATOM 0 HA ILE A1990 -16.474 -0.809 -3.439 1.00 0.00 H new ATOM 0 HB ILE A1990 -17.014 2.064 -4.236 1.00 0.00 H new ATOM 0 HG12 ILE A1990 -19.023 -0.202 -4.252 1.00 0.00 H new ATOM 0 HG13 ILE A1990 -18.662 0.613 -2.744 1.00 0.00 H new ATOM 0 HG21 ILE A1990 -17.812 1.090 -6.389 1.00 0.00 H new ATOM 0 HG22 ILE A1990 -16.079 0.776 -6.135 1.00 0.00 H new ATOM 0 HG23 ILE A1990 -17.268 -0.518 -5.854 1.00 0.00 H new ATOM 0 HD11 ILE A1990 -20.606 1.657 -3.860 1.00 0.00 H new ATOM 0 HD12 ILE A1990 -19.249 2.805 -3.772 1.00 0.00 H new ATOM 0 HD13 ILE A1990 -19.616 1.977 -5.304 1.00 0.00 H new ATOM 853 N VAL A1991 -14.182 1.558 -3.778 1.00 0.00 N ATOM 854 CA VAL A1991 -12.845 1.908 -4.218 1.00 0.00 C ATOM 855 C VAL A1991 -11.820 0.994 -3.536 1.00 0.00 C ATOM 856 O VAL A1991 -10.857 0.552 -4.158 1.00 0.00 O ATOM 857 CB VAL A1991 -12.590 3.401 -3.944 1.00 0.00 C ATOM 858 CG1 VAL A1991 -11.323 3.849 -4.668 1.00 0.00 C ATOM 859 CG2 VAL A1991 -13.737 4.294 -4.440 1.00 0.00 C ATOM 0 H VAL A1991 -14.643 2.316 -3.275 1.00 0.00 H new ATOM 0 HA VAL A1991 -12.743 1.754 -5.292 1.00 0.00 H new ATOM 0 HB VAL A1991 -12.499 3.506 -2.863 1.00 0.00 H new ATOM 0 HG11 VAL A1991 -11.146 4.906 -4.471 1.00 0.00 H new ATOM 0 HG12 VAL A1991 -10.474 3.266 -4.310 1.00 0.00 H new ATOM 0 HG13 VAL A1991 -11.443 3.694 -5.740 1.00 0.00 H new ATOM 0 HG21 VAL A1991 -13.507 5.337 -4.222 1.00 0.00 H new ATOM 0 HG22 VAL A1991 -13.858 4.166 -5.516 1.00 0.00 H new ATOM 0 HG23 VAL A1991 -14.661 4.013 -3.935 1.00 0.00 H new ATOM 869 N GLY A1992 -12.045 0.645 -2.269 1.00 0.00 N ATOM 870 CA GLY A1992 -11.145 -0.209 -1.528 1.00 0.00 C ATOM 871 C GLY A1992 -11.146 -1.627 -2.099 1.00 0.00 C ATOM 872 O GLY A1992 -10.079 -2.220 -2.292 1.00 0.00 O ATOM 0 H GLY A1992 -12.859 0.952 -1.736 1.00 0.00 H new ATOM 0 HA2 GLY A1992 -10.136 0.201 -1.564 1.00 0.00 H new ATOM 0 HA3 GLY A1992 -11.442 -0.234 -0.479 1.00 0.00 H new ATOM 876 N VAL A1993 -12.329 -2.183 -2.391 1.00 0.00 N ATOM 877 CA VAL A1993 -12.421 -3.534 -2.935 1.00 0.00 C ATOM 878 C VAL A1993 -11.867 -3.604 -4.359 1.00 0.00 C ATOM 879 O VAL A1993 -11.304 -4.629 -4.736 1.00 0.00 O ATOM 880 CB VAL A1993 -13.858 -4.092 -2.819 1.00 0.00 C ATOM 881 CG1 VAL A1993 -14.904 -3.414 -3.695 1.00 0.00 C ATOM 882 CG2 VAL A1993 -13.885 -5.579 -3.178 1.00 0.00 C ATOM 0 H VAL A1993 -13.227 -1.718 -2.259 1.00 0.00 H new ATOM 0 HA VAL A1993 -11.789 -4.184 -2.330 1.00 0.00 H new ATOM 0 HB VAL A1993 -14.123 -3.897 -1.780 1.00 0.00 H new ATOM 0 HG11 VAL A1993 -15.874 -3.884 -3.534 1.00 0.00 H new ATOM 0 HG12 VAL A1993 -14.966 -2.357 -3.436 1.00 0.00 H new ATOM 0 HG13 VAL A1993 -14.622 -3.515 -4.743 1.00 0.00 H new ATOM 0 HG21 VAL A1993 -14.904 -5.956 -3.091 1.00 0.00 H new ATOM 0 HG22 VAL A1993 -13.535 -5.713 -4.202 1.00 0.00 H new ATOM 0 HG23 VAL A1993 -13.235 -6.129 -2.497 1.00 0.00 H new ATOM 892 N GLU A1994 -12.001 -2.557 -5.172 1.00 0.00 N ATOM 893 CA GLU A1994 -11.469 -2.616 -6.526 1.00 0.00 C ATOM 894 C GLU A1994 -9.944 -2.464 -6.486 1.00 0.00 C ATOM 895 O GLU A1994 -9.239 -3.303 -7.049 1.00 0.00 O ATOM 896 CB GLU A1994 -12.193 -1.634 -7.452 1.00 0.00 C ATOM 897 CG GLU A1994 -11.982 -0.167 -7.080 1.00 0.00 C ATOM 898 CD GLU A1994 -12.842 0.820 -7.885 1.00 0.00 C ATOM 899 OE1 GLU A1994 -14.002 0.502 -8.231 1.00 0.00 O ATOM 900 OE2 GLU A1994 -12.389 1.966 -8.122 1.00 0.00 O ATOM 0 H GLU A1994 -12.461 -1.681 -4.923 1.00 0.00 H new ATOM 0 HA GLU A1994 -11.665 -3.594 -6.966 1.00 0.00 H new ATOM 0 HB2 GLU A1994 -11.850 -1.793 -8.474 1.00 0.00 H new ATOM 0 HB3 GLU A1994 -13.261 -1.853 -7.436 1.00 0.00 H new ATOM 0 HG2 GLU A1994 -12.199 -0.038 -6.020 1.00 0.00 H new ATOM 0 HG3 GLU A1994 -10.931 0.084 -7.223 1.00 0.00 H new ATOM 907 N TRP A1995 -9.419 -1.484 -5.740 1.00 0.00 N ATOM 908 CA TRP A1995 -7.988 -1.211 -5.615 1.00 0.00 C ATOM 909 C TRP A1995 -7.211 -2.411 -5.078 1.00 0.00 C ATOM 910 O TRP A1995 -6.073 -2.648 -5.491 1.00 0.00 O ATOM 911 CB TRP A1995 -7.789 0.013 -4.728 1.00 0.00 C ATOM 912 CG TRP A1995 -6.402 0.581 -4.709 1.00 0.00 C ATOM 913 CD1 TRP A1995 -5.729 1.071 -5.773 1.00 0.00 C ATOM 914 CD2 TRP A1995 -5.532 0.804 -3.563 1.00 0.00 C ATOM 915 NE1 TRP A1995 -4.513 1.571 -5.356 1.00 0.00 N ATOM 916 CE2 TRP A1995 -4.318 1.405 -4.000 1.00 0.00 C ATOM 917 CE3 TRP A1995 -5.685 0.603 -2.181 1.00 0.00 C ATOM 918 CZ2 TRP A1995 -3.288 1.739 -3.102 1.00 0.00 C ATOM 919 CZ3 TRP A1995 -4.684 0.972 -1.265 1.00 0.00 C ATOM 920 CH2 TRP A1995 -3.479 1.529 -1.726 1.00 0.00 C ATOM 0 H TRP A1995 -9.996 -0.844 -5.194 1.00 0.00 H new ATOM 0 HA TRP A1995 -7.590 -1.012 -6.610 1.00 0.00 H new ATOM 0 HB2 TRP A1995 -8.477 0.792 -5.056 1.00 0.00 H new ATOM 0 HB3 TRP A1995 -8.068 -0.251 -3.708 1.00 0.00 H new ATOM 0 HD1 TRP A1995 -6.087 1.071 -6.792 1.00 0.00 H new ATOM 0 HE1 TRP A1995 -3.836 2.013 -5.978 1.00 0.00 H new ATOM 0 HE3 TRP A1995 -6.595 0.153 -1.813 1.00 0.00 H new ATOM 0 HZ2 TRP A1995 -2.359 2.153 -3.467 1.00 0.00 H new ATOM 0 HZ3 TRP A1995 -4.841 0.827 -0.206 1.00 0.00 H new ATOM 0 HH2 TRP A1995 -2.702 1.795 -1.025 1.00 0.00 H new ATOM 931 N THR A1996 -7.826 -3.209 -4.194 1.00 0.00 N ATOM 932 CA THR A1996 -7.148 -4.399 -3.656 1.00 0.00 C ATOM 933 C THR A1996 -6.686 -5.315 -4.813 1.00 0.00 C ATOM 934 O THR A1996 -5.672 -6.009 -4.708 1.00 0.00 O ATOM 935 CB THR A1996 -8.038 -5.116 -2.612 1.00 0.00 C ATOM 936 OG1 THR A1996 -7.283 -5.840 -1.660 1.00 0.00 O ATOM 937 CG2 THR A1996 -9.013 -6.134 -3.213 1.00 0.00 C ATOM 0 H THR A1996 -8.771 -3.058 -3.842 1.00 0.00 H new ATOM 0 HA THR A1996 -6.248 -4.098 -3.120 1.00 0.00 H new ATOM 0 HB THR A1996 -8.585 -4.291 -2.156 1.00 0.00 H new ATOM 0 HG1 THR A1996 -7.637 -6.751 -1.586 1.00 0.00 H new ATOM 0 HG21 THR A1996 -9.599 -6.591 -2.416 1.00 0.00 H new ATOM 0 HG22 THR A1996 -9.681 -5.630 -3.911 1.00 0.00 H new ATOM 0 HG23 THR A1996 -8.453 -6.906 -3.741 1.00 0.00 H new ATOM 945 N THR A1997 -7.412 -5.302 -5.935 1.00 0.00 N ATOM 946 CA THR A1997 -7.123 -6.101 -7.114 1.00 0.00 C ATOM 947 C THR A1997 -5.828 -5.634 -7.769 1.00 0.00 C ATOM 948 O THR A1997 -4.961 -6.442 -8.083 1.00 0.00 O ATOM 949 CB THR A1997 -8.276 -5.973 -8.128 1.00 0.00 C ATOM 950 OG1 THR A1997 -9.547 -6.027 -7.495 1.00 0.00 O ATOM 951 CG2 THR A1997 -8.169 -7.047 -9.205 1.00 0.00 C ATOM 0 H THR A1997 -8.240 -4.716 -6.044 1.00 0.00 H new ATOM 0 HA THR A1997 -7.015 -7.141 -6.808 1.00 0.00 H new ATOM 0 HB THR A1997 -8.186 -4.994 -8.599 1.00 0.00 H new ATOM 0 HG1 THR A1997 -9.804 -5.128 -7.201 1.00 0.00 H new ATOM 0 HG21 THR A1997 -8.993 -6.938 -9.910 1.00 0.00 H new ATOM 0 HG22 THR A1997 -7.222 -6.939 -9.734 1.00 0.00 H new ATOM 0 HG23 THR A1997 -8.216 -8.033 -8.742 1.00 0.00 H new ATOM 959 N THR A1998 -5.672 -4.329 -7.936 1.00 0.00 N ATOM 960 CA THR A1998 -4.513 -3.710 -8.554 1.00 0.00 C ATOM 961 C THR A1998 -3.259 -4.105 -7.771 1.00 0.00 C ATOM 962 O THR A1998 -2.223 -4.432 -8.347 1.00 0.00 O ATOM 963 CB THR A1998 -4.784 -2.197 -8.619 1.00 0.00 C ATOM 964 OG1 THR A1998 -6.143 -1.985 -8.973 1.00 0.00 O ATOM 965 CG2 THR A1998 -3.887 -1.485 -9.629 1.00 0.00 C ATOM 0 H THR A1998 -6.372 -3.652 -7.635 1.00 0.00 H new ATOM 0 HA THR A1998 -4.336 -4.051 -9.574 1.00 0.00 H new ATOM 0 HB THR A1998 -4.565 -1.780 -7.636 1.00 0.00 H new ATOM 0 HG1 THR A1998 -6.324 -1.023 -9.015 1.00 0.00 H new ATOM 0 HG21 THR A1998 -4.119 -0.420 -9.635 1.00 0.00 H new ATOM 0 HG22 THR A1998 -2.843 -1.627 -9.351 1.00 0.00 H new ATOM 0 HG23 THR A1998 -4.058 -1.899 -10.623 1.00 0.00 H new ATOM 973 N ILE A1999 -3.354 -4.153 -6.442 1.00 0.00 N ATOM 974 CA ILE A1999 -2.249 -4.536 -5.569 1.00 0.00 C ATOM 975 C ILE A1999 -1.916 -6.016 -5.815 1.00 0.00 C ATOM 976 O ILE A1999 -0.741 -6.391 -5.855 1.00 0.00 O ATOM 977 CB ILE A1999 -2.642 -4.220 -4.109 1.00 0.00 C ATOM 978 CG1 ILE A1999 -2.729 -2.693 -3.904 1.00 0.00 C ATOM 979 CG2 ILE A1999 -1.652 -4.836 -3.116 1.00 0.00 C ATOM 980 CD1 ILE A1999 -3.494 -2.324 -2.632 1.00 0.00 C ATOM 0 H ILE A1999 -4.211 -3.924 -5.938 1.00 0.00 H new ATOM 0 HA ILE A1999 -1.342 -3.970 -5.782 1.00 0.00 H new ATOM 0 HB ILE A1999 -3.620 -4.663 -3.919 1.00 0.00 H new ATOM 0 HG12 ILE A1999 -1.723 -2.277 -3.855 1.00 0.00 H new ATOM 0 HG13 ILE A1999 -3.219 -2.240 -4.765 1.00 0.00 H new ATOM 0 HG21 ILE A1999 -1.959 -4.594 -2.099 1.00 0.00 H new ATOM 0 HG22 ILE A1999 -1.636 -5.919 -3.242 1.00 0.00 H new ATOM 0 HG23 ILE A1999 -0.655 -4.435 -3.299 1.00 0.00 H new ATOM 0 HD11 ILE A1999 -3.529 -1.239 -2.530 1.00 0.00 H new ATOM 0 HD12 ILE A1999 -4.509 -2.716 -2.691 1.00 0.00 H new ATOM 0 HD13 ILE A1999 -2.989 -2.753 -1.766 1.00 0.00 H new ATOM 992 N ASN A2000 -2.924 -6.878 -5.973 1.00 0.00 N ATOM 993 CA ASN A2000 -2.739 -8.303 -6.226 1.00 0.00 C ATOM 994 C ASN A2000 -2.040 -8.498 -7.542 1.00 0.00 C ATOM 995 O ASN A2000 -1.120 -9.294 -7.616 1.00 0.00 O ATOM 996 CB ASN A2000 -4.066 -9.052 -6.353 1.00 0.00 C ATOM 997 CG ASN A2000 -4.827 -9.069 -5.066 1.00 0.00 C ATOM 998 OD1 ASN A2000 -4.233 -9.054 -3.999 1.00 0.00 O ATOM 999 ND2 ASN A2000 -6.139 -9.113 -5.153 1.00 0.00 N ATOM 0 H ASN A2000 -3.904 -6.598 -5.928 1.00 0.00 H new ATOM 0 HA ASN A2000 -2.169 -8.687 -5.380 1.00 0.00 H new ATOM 0 HB2 ASN A2000 -4.674 -8.583 -7.127 1.00 0.00 H new ATOM 0 HB3 ASN A2000 -3.875 -10.076 -6.674 1.00 0.00 H new ATOM 0 HD21 ASN A2000 -6.706 -9.136 -4.305 1.00 0.00 H new ATOM 0 HD22 ASN A2000 -6.589 -9.124 -6.068 1.00 0.00 H new ATOM 1006 N GLN A2001 -2.492 -7.801 -8.576 1.00 0.00 N ATOM 1007 CA GLN A2001 -1.914 -7.896 -9.903 1.00 0.00 C ATOM 1008 C GLN A2001 -0.485 -7.352 -9.889 1.00 0.00 C ATOM 1009 O GLN A2001 0.381 -7.908 -10.562 1.00 0.00 O ATOM 1010 CB GLN A2001 -2.804 -7.152 -10.904 1.00 0.00 C ATOM 1011 CG GLN A2001 -4.181 -7.831 -11.077 1.00 0.00 C ATOM 1012 CD GLN A2001 -4.522 -8.203 -12.523 1.00 0.00 C ATOM 1013 OE1 GLN A2001 -5.647 -8.031 -12.976 1.00 0.00 O ATOM 1014 NE2 GLN A2001 -3.612 -8.801 -13.273 1.00 0.00 N ATOM 0 H GLN A2001 -3.275 -7.151 -8.514 1.00 0.00 H new ATOM 0 HA GLN A2001 -1.862 -8.939 -10.214 1.00 0.00 H new ATOM 0 HB2 GLN A2001 -2.947 -6.125 -10.567 1.00 0.00 H new ATOM 0 HB3 GLN A2001 -2.301 -7.104 -11.870 1.00 0.00 H new ATOM 0 HG2 GLN A2001 -4.208 -8.733 -10.466 1.00 0.00 H new ATOM 0 HG3 GLN A2001 -4.953 -7.164 -10.694 1.00 0.00 H new ATOM 0 HE21 GLN A2001 -2.671 -8.951 -12.910 1.00 0.00 H new ATOM 0 HE22 GLN A2001 -3.851 -9.112 -14.215 1.00 0.00 H new ATOM 1023 N THR A2002 -0.198 -6.345 -9.060 1.00 0.00 N ATOM 1024 CA THR A2002 1.132 -5.772 -9.002 1.00 0.00 C ATOM 1025 C THR A2002 2.152 -6.815 -8.514 1.00 0.00 C ATOM 1026 O THR A2002 3.145 -7.102 -9.189 1.00 0.00 O ATOM 1027 CB THR A2002 1.140 -4.518 -8.102 1.00 0.00 C ATOM 1028 OG1 THR A2002 0.242 -3.519 -8.551 1.00 0.00 O ATOM 1029 CG2 THR A2002 2.522 -3.867 -8.048 1.00 0.00 C ATOM 0 H THR A2002 -0.872 -5.917 -8.425 1.00 0.00 H new ATOM 0 HA THR A2002 1.423 -5.467 -10.007 1.00 0.00 H new ATOM 0 HB THR A2002 0.839 -4.880 -7.119 1.00 0.00 H new ATOM 0 HG1 THR A2002 -0.677 -3.856 -8.495 1.00 0.00 H new ATOM 0 HG21 THR A2002 2.485 -2.988 -7.404 1.00 0.00 H new ATOM 0 HG22 THR A2002 3.244 -4.579 -7.649 1.00 0.00 H new ATOM 0 HG23 THR A2002 2.823 -3.569 -9.052 1.00 0.00 H new ATOM 1037 N TYR A2003 1.885 -7.417 -7.354 1.00 0.00 N ATOM 1038 CA TYR A2003 2.771 -8.396 -6.721 1.00 0.00 C ATOM 1039 C TYR A2003 2.426 -9.858 -6.998 1.00 0.00 C ATOM 1040 O TYR A2003 3.075 -10.752 -6.455 1.00 0.00 O ATOM 1041 CB TYR A2003 2.765 -8.089 -5.222 1.00 0.00 C ATOM 1042 CG TYR A2003 3.135 -6.653 -4.920 1.00 0.00 C ATOM 1043 CD1 TYR A2003 4.386 -6.152 -5.322 1.00 0.00 C ATOM 1044 CD2 TYR A2003 2.200 -5.800 -4.307 1.00 0.00 C ATOM 1045 CE1 TYR A2003 4.715 -4.809 -5.088 1.00 0.00 C ATOM 1046 CE2 TYR A2003 2.526 -4.461 -4.055 1.00 0.00 C ATOM 1047 CZ TYR A2003 3.792 -3.967 -4.431 1.00 0.00 C ATOM 1048 OH TYR A2003 4.112 -2.685 -4.130 1.00 0.00 O ATOM 0 H TYR A2003 1.035 -7.236 -6.820 1.00 0.00 H new ATOM 0 HA TYR A2003 3.765 -8.291 -7.157 1.00 0.00 H new ATOM 0 HB2 TYR A2003 1.775 -8.298 -4.816 1.00 0.00 H new ATOM 0 HB3 TYR A2003 3.464 -8.755 -4.716 1.00 0.00 H new ATOM 0 HD1 TYR A2003 5.095 -6.803 -5.812 1.00 0.00 H new ATOM 0 HD2 TYR A2003 1.227 -6.178 -4.030 1.00 0.00 H new ATOM 0 HE1 TYR A2003 5.670 -4.421 -5.409 1.00 0.00 H new ATOM 0 HE2 TYR A2003 1.811 -3.810 -3.575 1.00 0.00 H new ATOM 0 HH TYR A2003 3.300 -2.194 -3.886 1.00 0.00 H new ATOM 1058 N ASN A2004 1.450 -10.111 -7.868 1.00 0.00 N ATOM 1059 CA ASN A2004 0.955 -11.432 -8.251 1.00 0.00 C ATOM 1060 C ASN A2004 0.437 -12.215 -7.028 1.00 0.00 C ATOM 1061 O ASN A2004 0.620 -13.430 -6.942 1.00 0.00 O ATOM 1062 CB ASN A2004 2.034 -12.180 -9.048 1.00 0.00 C ATOM 1063 CG ASN A2004 1.396 -13.201 -9.977 1.00 0.00 C ATOM 1064 OD1 ASN A2004 0.829 -12.839 -11.006 1.00 0.00 O ATOM 1065 ND2 ASN A2004 1.480 -14.476 -9.666 1.00 0.00 N ATOM 0 H ASN A2004 0.957 -9.360 -8.350 1.00 0.00 H new ATOM 0 HA ASN A2004 0.092 -11.320 -8.907 1.00 0.00 H new ATOM 0 HB2 ASN A2004 2.624 -11.470 -9.628 1.00 0.00 H new ATOM 0 HB3 ASN A2004 2.719 -12.680 -8.364 1.00 0.00 H new ATOM 0 HD21 ASN A2004 1.072 -15.179 -10.282 1.00 0.00 H new ATOM 0 HD22 ASN A2004 1.953 -14.762 -8.809 1.00 0.00 H new ATOM 1072 N LEU A2005 -0.183 -11.522 -6.061 1.00 0.00 N ATOM 1073 CA LEU A2005 -0.706 -12.098 -4.815 1.00 0.00 C ATOM 1074 C LEU A2005 -2.228 -12.218 -4.855 1.00 0.00 C ATOM 1075 O LEU A2005 -2.826 -12.096 -5.922 1.00 0.00 O ATOM 1076 CB LEU A2005 -0.230 -11.259 -3.615 1.00 0.00 C ATOM 1077 CG LEU A2005 1.296 -11.058 -3.531 1.00 0.00 C ATOM 1078 CD1 LEU A2005 1.658 -10.260 -2.277 1.00 0.00 C ATOM 1079 CD2 LEU A2005 2.074 -12.380 -3.573 1.00 0.00 C ATOM 0 H LEU A2005 -0.338 -10.516 -6.127 1.00 0.00 H new ATOM 0 HA LEU A2005 -0.316 -13.109 -4.703 1.00 0.00 H new ATOM 0 HB2 LEU A2005 -0.709 -10.281 -3.661 1.00 0.00 H new ATOM 0 HB3 LEU A2005 -0.570 -11.738 -2.697 1.00 0.00 H new ATOM 0 HG LEU A2005 1.591 -10.494 -4.416 1.00 0.00 H new ATOM 0 HD11 LEU A2005 2.739 -10.126 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A2005 1.172 -9.285 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A2005 1.321 -10.800 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A2005 3.143 -12.175 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A2005 1.774 -13.005 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A2005 1.858 -12.900 -4.507 1.00 0.00 H new ATOM 1091 N ASN A2006 -2.862 -12.509 -3.716 1.00 0.00 N ATOM 1092 CA ASN A2006 -4.310 -12.657 -3.594 1.00 0.00 C ATOM 1093 C ASN A2006 -4.773 -12.033 -2.285 1.00 0.00 C ATOM 1094 O ASN A2006 -4.459 -12.539 -1.204 1.00 0.00 O ATOM 1095 CB ASN A2006 -4.728 -14.131 -3.642 1.00 0.00 C ATOM 1096 CG ASN A2006 -6.184 -14.298 -3.218 1.00 0.00 C ATOM 1097 OD1 ASN A2006 -6.492 -15.078 -2.330 1.00 0.00 O ATOM 1098 ND2 ASN A2006 -7.116 -13.557 -3.804 1.00 0.00 N ATOM 0 H ASN A2006 -2.369 -12.651 -2.834 1.00 0.00 H new ATOM 0 HA ASN A2006 -4.779 -12.148 -4.436 1.00 0.00 H new ATOM 0 HB2 ASN A2006 -4.592 -14.519 -4.652 1.00 0.00 H new ATOM 0 HB3 ASN A2006 -4.084 -14.717 -2.986 1.00 0.00 H new ATOM 0 HD21 ASN A2006 -8.090 -13.639 -3.513 1.00 0.00 H new ATOM 0 HD22 ASN A2006 -6.858 -12.906 -4.546 1.00 0.00 H new ATOM 1105 N LEU A2007 -5.559 -10.966 -2.392 1.00 0.00 N ATOM 1106 CA LEU A2007 -6.120 -10.171 -1.311 1.00 0.00 C ATOM 1107 C LEU A2007 -7.510 -9.706 -1.705 1.00 0.00 C ATOM 1108 O LEU A2007 -7.948 -9.824 -2.854 1.00 0.00 O ATOM 1109 CB LEU A2007 -5.241 -8.930 -1.070 1.00 0.00 C ATOM 1110 CG LEU A2007 -3.724 -9.173 -0.921 1.00 0.00 C ATOM 1111 CD1 LEU A2007 -2.977 -7.856 -1.142 1.00 0.00 C ATOM 1112 CD2 LEU A2007 -3.368 -9.856 0.399 1.00 0.00 C ATOM 0 H LEU A2007 -5.840 -10.610 -3.306 1.00 0.00 H new ATOM 0 HA LEU A2007 -6.164 -10.776 -0.406 1.00 0.00 H new ATOM 0 HB2 LEU A2007 -5.395 -8.238 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A2007 -5.596 -8.432 -0.168 1.00 0.00 H new ATOM 0 HG LEU A2007 -3.402 -9.877 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A2007 -1.905 -8.024 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A2007 -3.190 -7.481 -2.143 1.00 0.00 H new ATOM 0 HD13 LEU A2007 -3.303 -7.124 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A2007 -2.289 -10.004 0.453 1.00 0.00 H new ATOM 0 HD22 LEU A2007 -3.691 -9.230 1.231 1.00 0.00 H new ATOM 0 HD23 LEU A2007 -3.870 -10.822 0.456 1.00 0.00 H new ATOM 1124 N LYS A2008 -8.213 -9.219 -0.695 1.00 0.00 N ATOM 1125 CA LYS A2008 -9.566 -8.713 -0.747 1.00 0.00 C ATOM 1126 C LYS A2008 -9.691 -7.438 0.052 1.00 0.00 C ATOM 1127 O LYS A2008 -8.756 -7.056 0.751 1.00 0.00 O ATOM 1128 CB LYS A2008 -10.545 -9.784 -0.269 1.00 0.00 C ATOM 1129 CG LYS A2008 -10.101 -10.812 0.768 1.00 0.00 C ATOM 1130 CD LYS A2008 -11.030 -10.761 1.963 1.00 0.00 C ATOM 1131 CE LYS A2008 -12.441 -11.283 1.682 1.00 0.00 C ATOM 1132 NZ LYS A2008 -13.287 -11.241 2.889 1.00 0.00 N ATOM 0 H LYS A2008 -7.822 -9.165 0.245 1.00 0.00 H new ATOM 0 HA LYS A2008 -9.816 -8.470 -1.780 1.00 0.00 H new ATOM 0 HB2 LYS A2008 -11.416 -9.270 0.136 1.00 0.00 H new ATOM 0 HB3 LYS A2008 -10.880 -10.334 -1.149 1.00 0.00 H new ATOM 0 HG2 LYS A2008 -10.108 -11.811 0.331 1.00 0.00 H new ATOM 0 HG3 LYS A2008 -9.077 -10.609 1.082 1.00 0.00 H new ATOM 0 HD2 LYS A2008 -10.593 -11.344 2.774 1.00 0.00 H new ATOM 0 HD3 LYS A2008 -11.098 -9.731 2.312 1.00 0.00 H new ATOM 0 HE2 LYS A2008 -12.900 -10.686 0.894 1.00 0.00 H new ATOM 0 HE3 LYS A2008 -12.384 -12.307 1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A2008 -14.235 -11.602 2.661 1.00 0.00 H new ATOM 0 HZ2 LYS A2008 -12.861 -11.831 3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A2008 -13.362 -10.260 3.227 1.00 0.00 H new ATOM 1146 N ALA A2009 -10.890 -6.860 0.018 1.00 0.00 N ATOM 1147 CA ALA A2009 -11.251 -5.620 0.704 1.00 0.00 C ATOM 1148 C ALA A2009 -10.857 -5.623 2.181 1.00 0.00 C ATOM 1149 O ALA A2009 -10.552 -4.570 2.729 1.00 0.00 O ATOM 1150 CB ALA A2009 -12.749 -5.394 0.566 1.00 0.00 C ATOM 0 H ALA A2009 -11.668 -7.258 -0.509 1.00 0.00 H new ATOM 0 HA ALA A2009 -10.695 -4.809 0.234 1.00 0.00 H new ATOM 0 HB1 ALA A2009 -13.026 -4.471 1.075 1.00 0.00 H new ATOM 0 HB2 ALA A2009 -13.010 -5.319 -0.490 1.00 0.00 H new ATOM 0 HB3 ALA A2009 -13.286 -6.230 1.013 1.00 0.00 H new ATOM 1156 N THR A2010 -10.797 -6.800 2.812 1.00 0.00 N ATOM 1157 CA THR A2010 -10.402 -6.931 4.210 1.00 0.00 C ATOM 1158 C THR A2010 -9.031 -6.272 4.397 1.00 0.00 C ATOM 1159 O THR A2010 -8.778 -5.669 5.429 1.00 0.00 O ATOM 1160 CB THR A2010 -10.418 -8.425 4.583 1.00 0.00 C ATOM 1161 OG1 THR A2010 -10.587 -8.720 5.948 1.00 0.00 O ATOM 1162 CG2 THR A2010 -9.179 -9.202 4.102 1.00 0.00 C ATOM 0 H THR A2010 -11.022 -7.688 2.363 1.00 0.00 H new ATOM 0 HA THR A2010 -11.094 -6.423 4.881 1.00 0.00 H new ATOM 0 HB THR A2010 -11.310 -8.753 4.049 1.00 0.00 H new ATOM 0 HG1 THR A2010 -10.584 -9.692 6.075 1.00 0.00 H new ATOM 0 HG21 THR A2010 -9.265 -10.246 4.403 1.00 0.00 H new ATOM 0 HG22 THR A2010 -9.111 -9.142 3.016 1.00 0.00 H new ATOM 0 HG23 THR A2010 -8.283 -8.769 4.546 1.00 0.00 H new ATOM 1170 N LYS A2011 -8.139 -6.357 3.398 1.00 0.00 N ATOM 1171 CA LYS A2011 -6.826 -5.730 3.517 1.00 0.00 C ATOM 1172 C LYS A2011 -6.959 -4.225 3.657 1.00 0.00 C ATOM 1173 O LYS A2011 -6.323 -3.644 4.527 1.00 0.00 O ATOM 1174 CB LYS A2011 -5.951 -6.082 2.321 1.00 0.00 C ATOM 1175 CG LYS A2011 -5.408 -7.506 2.367 1.00 0.00 C ATOM 1176 CD LYS A2011 -4.601 -7.852 3.623 1.00 0.00 C ATOM 1177 CE LYS A2011 -5.355 -8.826 4.532 1.00 0.00 C ATOM 1178 NZ LYS A2011 -4.597 -9.247 5.736 1.00 0.00 N ATOM 0 H LYS A2011 -8.303 -6.845 2.518 1.00 0.00 H new ATOM 0 HA LYS A2011 -6.347 -6.115 4.417 1.00 0.00 H new ATOM 0 HB2 LYS A2011 -6.529 -5.951 1.406 1.00 0.00 H new ATOM 0 HB3 LYS A2011 -5.115 -5.384 2.273 1.00 0.00 H new ATOM 0 HG2 LYS A2011 -6.245 -8.200 2.288 1.00 0.00 H new ATOM 0 HG3 LYS A2011 -4.777 -7.667 1.493 1.00 0.00 H new ATOM 0 HD2 LYS A2011 -3.646 -8.291 3.332 1.00 0.00 H new ATOM 0 HD3 LYS A2011 -4.377 -6.939 4.175 1.00 0.00 H new ATOM 0 HE2 LYS A2011 -6.289 -8.361 4.849 1.00 0.00 H new ATOM 0 HE3 LYS A2011 -5.620 -9.712 3.955 1.00 0.00 H new ATOM 0 HZ1 LYS A2011 -5.253 -9.643 6.439 1.00 0.00 H new ATOM 0 HZ2 LYS A2011 -3.897 -9.969 5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A2011 -4.109 -8.424 6.144 1.00 0.00 H new ATOM 1192 N LEU A2012 -7.764 -3.597 2.806 1.00 0.00 N ATOM 1193 CA LEU A2012 -7.993 -2.155 2.838 1.00 0.00 C ATOM 1194 C LEU A2012 -8.688 -1.737 4.126 1.00 0.00 C ATOM 1195 O LEU A2012 -8.598 -0.570 4.505 1.00 0.00 O ATOM 1196 CB LEU A2012 -8.870 -1.746 1.635 1.00 0.00 C ATOM 1197 CG LEU A2012 -8.076 -1.181 0.451 1.00 0.00 C ATOM 1198 CD1 LEU A2012 -7.517 0.193 0.857 1.00 0.00 C ATOM 1199 CD2 LEU A2012 -6.974 -2.155 0.000 1.00 0.00 C ATOM 0 H LEU A2012 -8.280 -4.077 2.069 1.00 0.00 H new ATOM 0 HA LEU A2012 -7.025 -1.656 2.788 1.00 0.00 H new ATOM 0 HB2 LEU A2012 -9.436 -2.615 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A2012 -9.595 -1.001 1.963 1.00 0.00 H new ATOM 0 HG LEU A2012 -8.729 -1.055 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A2012 -6.948 0.614 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A2012 -8.341 0.861 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A2012 -6.866 0.079 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A2012 -6.430 -1.725 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU A2012 -6.285 -2.332 0.826 1.00 0.00 H new ATOM 0 HD23 LEU A2012 -7.425 -3.099 -0.305 1.00 0.00 H new ATOM 1211 N TYR A2013 -9.362 -2.665 4.799 1.00 0.00 N ATOM 1212 CA TYR A2013 -10.087 -2.393 6.014 1.00 0.00 C ATOM 1213 C TYR A2013 -9.271 -2.655 7.276 1.00 0.00 C ATOM 1214 O TYR A2013 -9.511 -1.989 8.281 1.00 0.00 O ATOM 1215 CB TYR A2013 -11.373 -3.219 5.975 1.00 0.00 C ATOM 1216 CG TYR A2013 -12.423 -2.666 6.903 1.00 0.00 C ATOM 1217 CD1 TYR A2013 -13.213 -1.578 6.493 1.00 0.00 C ATOM 1218 CD2 TYR A2013 -12.562 -3.193 8.195 1.00 0.00 C ATOM 1219 CE1 TYR A2013 -14.167 -1.036 7.368 1.00 0.00 C ATOM 1220 CE2 TYR A2013 -13.461 -2.609 9.099 1.00 0.00 C ATOM 1221 CZ TYR A2013 -14.274 -1.531 8.688 1.00 0.00 C ATOM 1222 OH TYR A2013 -15.133 -0.959 9.569 1.00 0.00 O ATOM 0 H TYR A2013 -9.414 -3.639 4.502 1.00 0.00 H new ATOM 0 HA TYR A2013 -10.320 -1.329 6.063 1.00 0.00 H new ATOM 0 HB2 TYR A2013 -11.762 -3.238 4.957 1.00 0.00 H new ATOM 0 HB3 TYR A2013 -11.151 -4.250 6.251 1.00 0.00 H new ATOM 0 HD1 TYR A2013 -13.086 -1.160 5.506 1.00 0.00 H new ATOM 0 HD2 TYR A2013 -11.976 -4.050 8.494 1.00 0.00 H new ATOM 0 HE1 TYR A2013 -14.818 -0.242 7.034 1.00 0.00 H new ATOM 0 HE2 TYR A2013 -13.531 -2.984 10.109 1.00 0.00 H new ATOM 0 HH TYR A2013 -15.078 -1.426 10.429 1.00 0.00 H new ATOM 1232 N ASP A2014 -8.325 -3.599 7.271 1.00 0.00 N ATOM 1233 CA ASP A2014 -7.511 -3.902 8.441 1.00 0.00 C ATOM 1234 C ASP A2014 -6.237 -3.068 8.389 1.00 0.00 C ATOM 1235 O ASP A2014 -5.673 -2.750 9.430 1.00 0.00 O ATOM 1236 CB ASP A2014 -7.162 -5.392 8.441 1.00 0.00 C ATOM 1237 CG ASP A2014 -7.813 -6.208 9.553 1.00 0.00 C ATOM 1238 OD1 ASP A2014 -9.043 -6.100 9.737 1.00 0.00 O ATOM 1239 OD2 ASP A2014 -7.114 -7.057 10.157 1.00 0.00 O ATOM 0 H ASP A2014 -8.106 -4.171 6.455 1.00 0.00 H new ATOM 0 HA ASP A2014 -8.061 -3.665 9.352 1.00 0.00 H new ATOM 0 HB2 ASP A2014 -7.453 -5.818 7.481 1.00 0.00 H new ATOM 0 HB3 ASP A2014 -6.080 -5.496 8.521 1.00 0.00 H new ATOM 1244 N TYR A2015 -5.791 -2.697 7.187 1.00 0.00 N ATOM 1245 CA TYR A2015 -4.605 -1.898 6.945 1.00 0.00 C ATOM 1246 C TYR A2015 -5.027 -0.655 6.162 1.00 0.00 C ATOM 1247 O TYR A2015 -4.803 -0.561 4.956 1.00 0.00 O ATOM 1248 CB TYR A2015 -3.571 -2.710 6.181 1.00 0.00 C ATOM 1249 CG TYR A2015 -3.189 -4.047 6.762 1.00 0.00 C ATOM 1250 CD1 TYR A2015 -3.038 -4.221 8.147 1.00 0.00 C ATOM 1251 CD2 TYR A2015 -3.052 -5.141 5.894 1.00 0.00 C ATOM 1252 CE1 TYR A2015 -2.797 -5.504 8.661 1.00 0.00 C ATOM 1253 CE2 TYR A2015 -2.764 -6.414 6.403 1.00 0.00 C ATOM 1254 CZ TYR A2015 -2.614 -6.603 7.793 1.00 0.00 C ATOM 1255 OH TYR A2015 -2.391 -7.855 8.272 1.00 0.00 O ATOM 0 H TYR A2015 -6.271 -2.960 6.326 1.00 0.00 H new ATOM 0 HA TYR A2015 -4.146 -1.596 7.886 1.00 0.00 H new ATOM 0 HB2 TYR A2015 -3.947 -2.874 5.171 1.00 0.00 H new ATOM 0 HB3 TYR A2015 -2.667 -2.108 6.091 1.00 0.00 H new ATOM 0 HD1 TYR A2015 -3.107 -3.373 8.812 1.00 0.00 H new ATOM 0 HD2 TYR A2015 -3.169 -5.001 4.830 1.00 0.00 H new ATOM 0 HE1 TYR A2015 -2.751 -5.653 9.730 1.00 0.00 H new ATOM 0 HE2 TYR A2015 -2.657 -7.252 5.730 1.00 0.00 H new ATOM 0 HH TYR A2015 -2.291 -8.479 7.523 1.00 0.00 H new ATOM 1265 N PRO A2016 -5.646 0.317 6.836 1.00 0.00 N ATOM 1266 CA PRO A2016 -6.107 1.549 6.217 1.00 0.00 C ATOM 1267 C PRO A2016 -4.993 2.553 5.900 1.00 0.00 C ATOM 1268 O PRO A2016 -5.335 3.642 5.445 1.00 0.00 O ATOM 1269 CB PRO A2016 -7.041 2.132 7.274 1.00 0.00 C ATOM 1270 CG PRO A2016 -6.486 1.657 8.608 1.00 0.00 C ATOM 1271 CD PRO A2016 -5.963 0.282 8.261 1.00 0.00 C ATOM 0 HA PRO A2016 -6.566 1.348 5.249 1.00 0.00 H new ATOM 0 HB2 PRO A2016 -7.062 3.221 7.222 1.00 0.00 H new ATOM 0 HB3 PRO A2016 -8.064 1.786 7.128 1.00 0.00 H new ATOM 0 HG2 PRO A2016 -5.697 2.312 8.978 1.00 0.00 H new ATOM 0 HG3 PRO A2016 -7.255 1.618 9.379 1.00 0.00 H new ATOM 0 HD2 PRO A2016 -5.079 0.041 8.851 1.00 0.00 H new ATOM 0 HD3 PRO A2016 -6.708 -0.484 8.476 1.00 0.00 H new ATOM 1279 N THR A2017 -3.720 2.253 6.164 1.00 0.00 N ATOM 1280 CA THR A2017 -2.601 3.166 5.902 1.00 0.00 C ATOM 1281 C THR A2017 -1.569 2.515 4.982 1.00 0.00 C ATOM 1282 O THR A2017 -1.595 1.292 4.809 1.00 0.00 O ATOM 1283 CB THR A2017 -1.960 3.662 7.210 1.00 0.00 C ATOM 1284 OG1 THR A2017 -1.220 2.639 7.847 1.00 0.00 O ATOM 1285 CG2 THR A2017 -2.956 4.265 8.195 1.00 0.00 C ATOM 0 H THR A2017 -3.432 1.362 6.569 1.00 0.00 H new ATOM 0 HA THR A2017 -2.998 4.041 5.388 1.00 0.00 H new ATOM 0 HB THR A2017 -1.287 4.464 6.906 1.00 0.00 H new ATOM 0 HG1 THR A2017 -0.825 2.987 8.673 1.00 0.00 H new ATOM 0 HG21 THR A2017 -2.429 4.591 9.092 1.00 0.00 H new ATOM 0 HG22 THR A2017 -3.452 5.119 7.734 1.00 0.00 H new ATOM 0 HG23 THR A2017 -3.700 3.516 8.464 1.00 0.00 H new ATOM 1293 N LEU A2018 -0.649 3.276 4.364 1.00 0.00 N ATOM 1294 CA LEU A2018 0.334 2.668 3.479 1.00 0.00 C ATOM 1295 C LEU A2018 1.320 1.893 4.317 1.00 0.00 C ATOM 1296 O LEU A2018 1.828 0.881 3.847 1.00 0.00 O ATOM 1297 CB LEU A2018 1.087 3.710 2.645 1.00 0.00 C ATOM 1298 CG LEU A2018 0.193 4.636 1.805 1.00 0.00 C ATOM 1299 CD1 LEU A2018 1.036 5.774 1.260 1.00 0.00 C ATOM 1300 CD2 LEU A2018 -0.413 3.911 0.608 1.00 0.00 C ATOM 0 H LEU A2018 -0.573 4.288 4.463 1.00 0.00 H new ATOM 0 HA LEU A2018 -0.193 2.013 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A2018 1.691 4.322 3.315 1.00 0.00 H new ATOM 0 HB3 LEU A2018 1.776 3.191 1.978 1.00 0.00 H new ATOM 0 HG LEU A2018 -0.609 4.991 2.452 1.00 0.00 H new ATOM 0 HD11 LEU A2018 0.410 6.437 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A2018 1.470 6.334 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A2018 1.834 5.370 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A2018 -1.037 4.602 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A2018 0.385 3.536 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A2018 -1.021 3.076 0.958 1.00 0.00 H new ATOM 1312 N LEU A2019 1.609 2.346 5.538 1.00 0.00 N ATOM 1313 CA LEU A2019 2.542 1.655 6.410 1.00 0.00 C ATOM 1314 C LEU A2019 1.993 0.273 6.770 1.00 0.00 C ATOM 1315 O LEU A2019 2.720 -0.706 6.619 1.00 0.00 O ATOM 1316 CB LEU A2019 2.864 2.515 7.639 1.00 0.00 C ATOM 1317 CG LEU A2019 3.654 3.797 7.341 1.00 0.00 C ATOM 1318 CD1 LEU A2019 3.827 4.627 8.610 1.00 0.00 C ATOM 1319 CD2 LEU A2019 5.010 3.582 6.673 1.00 0.00 C ATOM 0 H LEU A2019 1.205 3.192 5.941 1.00 0.00 H new ATOM 0 HA LEU A2019 3.487 1.496 5.890 1.00 0.00 H new ATOM 0 HB2 LEU A2019 1.929 2.787 8.129 1.00 0.00 H new ATOM 0 HB3 LEU A2019 3.432 1.912 8.348 1.00 0.00 H new ATOM 0 HG LEU A2019 3.049 4.334 6.610 1.00 0.00 H new ATOM 0 HD11 LEU A2019 4.389 5.532 8.379 1.00 0.00 H new ATOM 0 HD12 LEU A2019 2.847 4.899 9.003 1.00 0.00 H new ATOM 0 HD13 LEU A2019 4.368 4.044 9.355 1.00 0.00 H new ATOM 0 HD21 LEU A2019 5.489 4.546 6.504 1.00 0.00 H new ATOM 0 HD22 LEU A2019 5.641 2.971 7.319 1.00 0.00 H new ATOM 0 HD23 LEU A2019 4.869 3.075 5.719 1.00 0.00 H new ATOM 1331 N GLU A2020 0.718 0.156 7.154 1.00 0.00 N ATOM 1332 CA GLU A2020 0.168 -1.157 7.502 1.00 0.00 C ATOM 1333 C GLU A2020 -0.039 -2.023 6.255 1.00 0.00 C ATOM 1334 O GLU A2020 0.240 -3.227 6.287 1.00 0.00 O ATOM 1335 CB GLU A2020 -1.112 -1.048 8.342 1.00 0.00 C ATOM 1336 CG GLU A2020 -0.863 -0.278 9.648 1.00 0.00 C ATOM 1337 CD GLU A2020 -1.712 -0.688 10.854 1.00 0.00 C ATOM 1338 OE1 GLU A2020 -1.955 -1.894 11.091 1.00 0.00 O ATOM 1339 OE2 GLU A2020 -2.093 0.229 11.625 1.00 0.00 O ATOM 0 H GLU A2020 0.062 0.933 7.231 1.00 0.00 H new ATOM 0 HA GLU A2020 0.906 -1.657 8.129 1.00 0.00 H new ATOM 0 HB2 GLU A2020 -1.887 -0.545 7.763 1.00 0.00 H new ATOM 0 HB3 GLU A2020 -1.484 -2.046 8.572 1.00 0.00 H new ATOM 0 HG2 GLU A2020 0.188 -0.391 9.916 1.00 0.00 H new ATOM 0 HG3 GLU A2020 -1.031 0.782 9.457 1.00 0.00 H new ATOM 1346 N LEU A2021 -0.491 -1.426 5.144 1.00 0.00 N ATOM 1347 CA LEU A2021 -0.737 -2.150 3.896 1.00 0.00 C ATOM 1348 C LEU A2021 0.581 -2.694 3.353 1.00 0.00 C ATOM 1349 O LEU A2021 0.630 -3.820 2.859 1.00 0.00 O ATOM 1350 CB LEU A2021 -1.464 -1.235 2.892 1.00 0.00 C ATOM 1351 CG LEU A2021 -2.264 -1.976 1.807 1.00 0.00 C ATOM 1352 CD1 LEU A2021 -3.525 -2.639 2.374 1.00 0.00 C ATOM 1353 CD2 LEU A2021 -2.757 -0.973 0.763 1.00 0.00 C ATOM 0 H LEU A2021 -0.695 -0.428 5.088 1.00 0.00 H new ATOM 0 HA LEU A2021 -1.390 -3.004 4.077 1.00 0.00 H new ATOM 0 HB2 LEU A2021 -2.142 -0.582 3.442 1.00 0.00 H new ATOM 0 HB3 LEU A2021 -0.728 -0.594 2.407 1.00 0.00 H new ATOM 0 HG LEU A2021 -1.597 -2.729 1.388 1.00 0.00 H new ATOM 0 HD11 LEU A2021 -4.059 -3.150 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A2021 -3.243 -3.361 3.141 1.00 0.00 H new ATOM 0 HD13 LEU A2021 -4.171 -1.878 2.812 1.00 0.00 H new ATOM 0 HD21 LEU A2021 -3.324 -1.497 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A2021 -3.396 -0.232 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A2021 -1.903 -0.473 0.307 1.00 0.00 H new ATOM 1365 N SER A2022 1.652 -1.906 3.462 1.00 0.00 N ATOM 1366 CA SER A2022 2.964 -2.303 2.999 1.00 0.00 C ATOM 1367 C SER A2022 3.558 -3.389 3.881 1.00 0.00 C ATOM 1368 O SER A2022 4.156 -4.310 3.336 1.00 0.00 O ATOM 1369 CB SER A2022 3.936 -1.128 2.905 1.00 0.00 C ATOM 1370 OG SER A2022 4.088 -0.410 4.101 1.00 0.00 O ATOM 0 H SER A2022 1.624 -0.974 3.876 1.00 0.00 H new ATOM 0 HA SER A2022 2.820 -2.697 1.993 1.00 0.00 H new ATOM 0 HB2 SER A2022 4.911 -1.502 2.592 1.00 0.00 H new ATOM 0 HB3 SER A2022 3.591 -0.447 2.127 1.00 0.00 H new ATOM 0 HG SER A2022 3.223 -0.036 4.370 1.00 0.00 H new ATOM 1376 N GLY A2023 3.373 -3.321 5.203 1.00 0.00 N ATOM 1377 CA GLY A2023 3.914 -4.289 6.145 1.00 0.00 C ATOM 1378 C GLY A2023 3.508 -5.710 5.813 1.00 0.00 C ATOM 1379 O GLY A2023 4.343 -6.618 5.852 1.00 0.00 O ATOM 0 H GLY A2023 2.834 -2.579 5.649 1.00 0.00 H new ATOM 0 HA2 GLY A2023 5.002 -4.217 6.151 1.00 0.00 H new ATOM 0 HA3 GLY A2023 3.573 -4.043 7.151 1.00 0.00 H new ATOM 1383 N TYR A2024 2.242 -5.921 5.454 1.00 0.00 N ATOM 1384 CA TYR A2024 1.797 -7.264 5.130 1.00 0.00 C ATOM 1385 C TYR A2024 2.456 -7.723 3.831 1.00 0.00 C ATOM 1386 O TYR A2024 3.063 -8.789 3.792 1.00 0.00 O ATOM 1387 CB TYR A2024 0.269 -7.328 5.093 1.00 0.00 C ATOM 1388 CG TYR A2024 -0.294 -8.736 4.967 1.00 0.00 C ATOM 1389 CD1 TYR A2024 0.131 -9.760 5.837 1.00 0.00 C ATOM 1390 CD2 TYR A2024 -1.245 -9.027 3.971 1.00 0.00 C ATOM 1391 CE1 TYR A2024 -0.385 -11.062 5.705 1.00 0.00 C ATOM 1392 CE2 TYR A2024 -1.772 -10.325 3.840 1.00 0.00 C ATOM 1393 CZ TYR A2024 -1.337 -11.352 4.705 1.00 0.00 C ATOM 1394 OH TYR A2024 -1.824 -12.616 4.566 1.00 0.00 O ATOM 0 H TYR A2024 1.527 -5.197 5.383 1.00 0.00 H new ATOM 0 HA TYR A2024 2.109 -7.960 5.908 1.00 0.00 H new ATOM 0 HB2 TYR A2024 -0.125 -6.871 6.001 1.00 0.00 H new ATOM 0 HB3 TYR A2024 -0.088 -6.730 4.255 1.00 0.00 H new ATOM 0 HD1 TYR A2024 0.856 -9.544 6.608 1.00 0.00 H new ATOM 0 HD2 TYR A2024 -1.573 -8.246 3.301 1.00 0.00 H new ATOM 0 HE1 TYR A2024 -0.051 -11.843 6.372 1.00 0.00 H new ATOM 0 HE2 TYR A2024 -2.508 -10.535 3.079 1.00 0.00 H new ATOM 0 HH TYR A2024 -2.471 -12.638 3.830 1.00 0.00 H new ATOM 1404 N ILE A2025 2.382 -6.916 2.770 1.00 0.00 N ATOM 1405 CA ILE A2025 2.971 -7.256 1.477 1.00 0.00 C ATOM 1406 C ILE A2025 4.493 -7.464 1.602 1.00 0.00 C ATOM 1407 O ILE A2025 5.019 -8.361 0.948 1.00 0.00 O ATOM 1408 CB ILE A2025 2.609 -6.178 0.429 1.00 0.00 C ATOM 1409 CG1 ILE A2025 1.087 -5.942 0.271 1.00 0.00 C ATOM 1410 CG2 ILE A2025 3.184 -6.567 -0.942 1.00 0.00 C ATOM 1411 CD1 ILE A2025 0.681 -4.722 -0.568 1.00 0.00 C ATOM 0 H ILE A2025 1.913 -6.011 2.785 1.00 0.00 H new ATOM 0 HA ILE A2025 2.554 -8.203 1.133 1.00 0.00 H new ATOM 0 HB ILE A2025 3.045 -5.249 0.797 1.00 0.00 H new ATOM 0 HG12 ILE A2025 0.646 -6.831 -0.179 1.00 0.00 H new ATOM 0 HG13 ILE A2025 0.650 -5.837 1.264 1.00 0.00 H new ATOM 0 HG21 ILE A2025 2.925 -5.803 -1.675 1.00 0.00 H new ATOM 0 HG22 ILE A2025 4.269 -6.650 -0.872 1.00 0.00 H new ATOM 0 HG23 ILE A2025 2.767 -7.525 -1.253 1.00 0.00 H new ATOM 0 HD11 ILE A2025 -0.406 -4.655 -0.611 1.00 0.00 H new ATOM 0 HD12 ILE A2025 1.082 -3.817 -0.112 1.00 0.00 H new ATOM 0 HD13 ILE A2025 1.078 -4.826 -1.578 1.00 0.00 H new ATOM 1423 N ALA A2026 5.203 -6.686 2.427 1.00 0.00 N ATOM 1424 CA ALA A2026 6.645 -6.782 2.647 1.00 0.00 C ATOM 1425 C ALA A2026 6.994 -8.205 3.078 1.00 0.00 C ATOM 1426 O ALA A2026 7.918 -8.813 2.541 1.00 0.00 O ATOM 1427 CB ALA A2026 7.076 -5.816 3.761 1.00 0.00 C ATOM 0 H ALA A2026 4.770 -5.946 2.979 1.00 0.00 H new ATOM 0 HA ALA A2026 7.161 -6.526 1.721 1.00 0.00 H new ATOM 0 HB1 ALA A2026 8.152 -5.896 3.916 1.00 0.00 H new ATOM 0 HB2 ALA A2026 6.826 -4.795 3.474 1.00 0.00 H new ATOM 0 HB3 ALA A2026 6.556 -6.071 4.685 1.00 0.00 H new ATOM 1433 N GLN A2027 6.243 -8.748 4.040 1.00 0.00 N ATOM 1434 CA GLN A2027 6.449 -10.090 4.571 1.00 0.00 C ATOM 1435 C GLN A2027 6.230 -11.145 3.484 1.00 0.00 C ATOM 1436 O GLN A2027 6.878 -12.187 3.527 1.00 0.00 O ATOM 1437 CB GLN A2027 5.539 -10.307 5.791 1.00 0.00 C ATOM 1438 CG GLN A2027 5.985 -9.371 6.931 1.00 0.00 C ATOM 1439 CD GLN A2027 5.066 -9.295 8.145 1.00 0.00 C ATOM 1440 OE1 GLN A2027 5.515 -8.904 9.215 1.00 0.00 O ATOM 1441 NE2 GLN A2027 3.771 -9.539 8.012 1.00 0.00 N ATOM 0 H GLN A2027 5.463 -8.256 4.476 1.00 0.00 H new ATOM 0 HA GLN A2027 7.482 -10.196 4.902 1.00 0.00 H new ATOM 0 HB2 GLN A2027 4.501 -10.107 5.525 1.00 0.00 H new ATOM 0 HB3 GLN A2027 5.590 -11.346 6.117 1.00 0.00 H new ATOM 0 HG2 GLN A2027 6.971 -9.690 7.269 1.00 0.00 H new ATOM 0 HG3 GLN A2027 6.097 -8.366 6.524 1.00 0.00 H new ATOM 0 HE21 GLN A2027 3.403 -9.865 7.118 1.00 0.00 H new ATOM 0 HE22 GLN A2027 3.142 -9.401 8.803 1.00 0.00 H new ATOM 1450 N ILE A2028 5.330 -10.895 2.529 1.00 0.00 N ATOM 1451 CA ILE A2028 5.045 -11.808 1.428 1.00 0.00 C ATOM 1452 C ILE A2028 6.152 -11.718 0.381 1.00 0.00 C ATOM 1453 O ILE A2028 6.737 -12.718 0.001 1.00 0.00 O ATOM 1454 CB ILE A2028 3.660 -11.550 0.797 1.00 0.00 C ATOM 1455 CG1 ILE A2028 2.535 -11.537 1.850 1.00 0.00 C ATOM 1456 CG2 ILE A2028 3.372 -12.652 -0.243 1.00 0.00 C ATOM 1457 CD1 ILE A2028 1.234 -10.933 1.327 1.00 0.00 C ATOM 0 H ILE A2028 4.774 -10.041 2.502 1.00 0.00 H new ATOM 0 HA ILE A2028 5.017 -12.820 1.832 1.00 0.00 H new ATOM 0 HB ILE A2028 3.682 -10.567 0.327 1.00 0.00 H new ATOM 0 HG12 ILE A2028 2.347 -12.557 2.185 1.00 0.00 H new ATOM 0 HG13 ILE A2028 2.867 -10.972 2.721 1.00 0.00 H new ATOM 0 HG21 ILE A2028 2.395 -12.479 -0.695 1.00 0.00 H new ATOM 0 HG22 ILE A2028 4.139 -12.631 -1.017 1.00 0.00 H new ATOM 0 HG23 ILE A2028 3.378 -13.625 0.247 1.00 0.00 H new ATOM 0 HD11 ILE A2028 0.481 -10.953 2.115 1.00 0.00 H new ATOM 0 HD12 ILE A2028 1.410 -9.902 1.018 1.00 0.00 H new ATOM 0 HD13 ILE A2028 0.881 -11.512 0.474 1.00 0.00 H new ATOM 1469 N LEU A2029 6.463 -10.529 -0.128 1.00 0.00 N ATOM 1470 CA LEU A2029 7.493 -10.372 -1.151 1.00 0.00 C ATOM 1471 C LEU A2029 8.855 -10.833 -0.651 1.00 0.00 C ATOM 1472 O LEU A2029 9.602 -11.466 -1.399 1.00 0.00 O ATOM 1473 CB LEU A2029 7.553 -8.923 -1.603 1.00 0.00 C ATOM 1474 CG LEU A2029 6.349 -8.512 -2.471 1.00 0.00 C ATOM 1475 CD1 LEU A2029 6.381 -6.996 -2.636 1.00 0.00 C ATOM 1476 CD2 LEU A2029 6.388 -9.200 -3.845 1.00 0.00 C ATOM 0 H LEU A2029 6.015 -9.657 0.153 1.00 0.00 H new ATOM 0 HA LEU A2029 7.228 -11.003 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A2029 7.599 -8.277 -0.727 1.00 0.00 H new ATOM 0 HB3 LEU A2029 8.472 -8.762 -2.167 1.00 0.00 H new ATOM 0 HG LEU A2029 5.426 -8.824 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A2029 5.537 -6.679 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A2029 6.317 -6.522 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU A2029 7.312 -6.702 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A2029 5.524 -8.888 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A2029 7.303 -8.919 -4.367 1.00 0.00 H new ATOM 0 HD23 LEU A2029 6.365 -10.281 -3.711 1.00 0.00 H new ATOM 1488 N SER A2030 9.185 -10.525 0.601 1.00 0.00 N ATOM 1489 CA SER A2030 10.451 -10.953 1.183 1.00 0.00 C ATOM 1490 C SER A2030 10.448 -12.485 1.347 1.00 0.00 C ATOM 1491 O SER A2030 11.522 -13.090 1.367 1.00 0.00 O ATOM 1492 CB SER A2030 10.717 -10.213 2.499 1.00 0.00 C ATOM 1493 OG SER A2030 9.748 -10.550 3.466 1.00 0.00 O ATOM 0 H SER A2030 8.593 -9.982 1.230 1.00 0.00 H new ATOM 0 HA SER A2030 11.273 -10.696 0.516 1.00 0.00 H new ATOM 0 HB2 SER A2030 11.711 -10.466 2.869 1.00 0.00 H new ATOM 0 HB3 SER A2030 10.706 -9.137 2.325 1.00 0.00 H new ATOM 0 HG SER A2030 8.893 -10.134 3.231 1.00 0.00 H new