USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 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: A2011 LYS NZ :NH3+ -179:sc= 2.59 (180deg=2.36) USER MOD Set 1.2: A2015 TYR OH : rot -138:sc= 0.205 USER MOD Set 1.3: A2024 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A1964 GLN : amide:sc= 0 X(o=1.3,f=0.97) USER MOD Set 2.2: A2002 THR OG1 : rot 90:sc= 1.26 USER MOD Set 3.1: A1953 ASN : amide:sc= -0.734 X(o=-0.57,f=-0.82) USER MOD Set 3.2: A1955 SER OG : rot 180:sc= 0.166 USER MOD Single : A1958 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1959 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A1962 LYS NZ :NH3+ -164:sc= 0.135 (180deg=-0.294) USER MOD Single : A1963 GLN : amide:sc= -0.607 K(o=-0.61,f=-0.091) USER MOD Single : A1970 TYR OH : rot 180:sc= 0 USER MOD Single : A1971 THR OG1 : rot -175:sc= 1.28 USER MOD Single : A1974 SER OG : rot 180:sc= 0 USER MOD Single : A1980 GLN : amide:sc= -2.54! K(o=-2.5!,f=-0.018) USER MOD Single : A1981 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0022) USER MOD Single : A1989 SER OG : rot 180:sc= 0 USER MOD Single : A1996 THR OG1 : rot 140:sc= 0 USER MOD Single : A1997 THR OG1 : rot 180:sc= 0 USER MOD Single : A1998 THR OG1 : rot 180:sc= 0.00236 USER MOD Single : A2000 ASN : amide:sc= 0.292 K(o=0.29,f=-6.5!) USER MOD Single : A2001 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2003 TYR OH : rot 30:sc= -0.424 USER MOD Single : A2004 ASN : amide:sc= -0.0594 X(o=-0.059,f=-0.044) USER MOD Single : A2006 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.26) USER MOD Single : A2008 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2010 THR OG1 : rot 180:sc= 0 USER MOD Single : A2013 TYR OH : rot 180:sc= 0 USER MOD Single : A2017 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A2022 SER OG : rot -100:sc= 1.02 USER MOD Single : A2027 GLN : amide:sc= -0.0215 X(o=-0.021,f=-0.021) USER MOD Single : A2030 SER OG : rot -94:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 252 N ASN A1953 11.568 -4.609 1.366 1.00 0.00 N ATOM 253 CA ASN A1953 11.489 -3.973 2.678 1.00 0.00 C ATOM 254 C ASN A1953 10.138 -3.310 2.857 1.00 0.00 C ATOM 255 O ASN A1953 9.531 -2.876 1.887 1.00 0.00 O ATOM 256 CB ASN A1953 12.559 -2.884 2.743 1.00 0.00 C ATOM 257 CG ASN A1953 12.378 -1.798 3.789 1.00 0.00 C ATOM 258 OD1 ASN A1953 12.206 -2.049 4.973 1.00 0.00 O ATOM 259 ND2 ASN A1953 12.448 -0.546 3.377 1.00 0.00 N ATOM 0 HA ASN A1953 11.633 -4.725 3.454 1.00 0.00 H new ATOM 0 HB2 ASN A1953 13.521 -3.365 2.918 1.00 0.00 H new ATOM 0 HB3 ASN A1953 12.615 -2.406 1.765 1.00 0.00 H new ATOM 0 HD21 ASN A1953 12.358 0.217 4.048 1.00 0.00 H new ATOM 0 HD22 ASN A1953 12.592 -0.342 2.388 1.00 0.00 H new ATOM 266 N LEU A1954 9.718 -3.129 4.100 1.00 0.00 N ATOM 267 CA LEU A1954 8.468 -2.495 4.487 1.00 0.00 C ATOM 268 C LEU A1954 8.244 -1.159 3.787 1.00 0.00 C ATOM 269 O LEU A1954 7.149 -0.862 3.311 1.00 0.00 O ATOM 270 CB LEU A1954 8.537 -2.238 6.011 1.00 0.00 C ATOM 271 CG LEU A1954 7.353 -2.779 6.821 1.00 0.00 C ATOM 272 CD1 LEU A1954 6.011 -2.396 6.189 1.00 0.00 C ATOM 273 CD2 LEU A1954 7.511 -4.287 7.008 1.00 0.00 C ATOM 0 H LEU A1954 10.266 -3.435 4.904 1.00 0.00 H new ATOM 0 HA LEU A1954 7.646 -3.153 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A1954 9.454 -2.684 6.397 1.00 0.00 H new ATOM 0 HB3 LEU A1954 8.610 -1.163 6.179 1.00 0.00 H new ATOM 0 HG LEU A1954 7.353 -2.316 7.808 1.00 0.00 H new ATOM 0 HD11 LEU A1954 5.197 -2.798 6.792 1.00 0.00 H new ATOM 0 HD12 LEU A1954 5.927 -1.310 6.143 1.00 0.00 H new ATOM 0 HD13 LEU A1954 5.953 -2.807 5.181 1.00 0.00 H new ATOM 0 HD21 LEU A1954 6.670 -4.672 7.584 1.00 0.00 H new ATOM 0 HD22 LEU A1954 7.537 -4.774 6.033 1.00 0.00 H new ATOM 0 HD23 LEU A1954 8.440 -4.492 7.541 1.00 0.00 H new ATOM 285 N SER A1955 9.290 -0.323 3.754 1.00 0.00 N ATOM 286 CA SER A1955 9.191 0.980 3.142 1.00 0.00 C ATOM 287 C SER A1955 8.945 0.870 1.638 1.00 0.00 C ATOM 288 O SER A1955 8.244 1.738 1.120 1.00 0.00 O ATOM 289 CB SER A1955 10.396 1.867 3.459 1.00 0.00 C ATOM 290 OG SER A1955 10.910 1.665 4.765 1.00 0.00 O ATOM 0 H SER A1955 10.206 -0.538 4.147 1.00 0.00 H new ATOM 0 HA SER A1955 8.324 1.473 3.582 1.00 0.00 H new ATOM 0 HB2 SER A1955 11.184 1.672 2.731 1.00 0.00 H new ATOM 0 HB3 SER A1955 10.109 2.912 3.346 1.00 0.00 H new ATOM 0 HG SER A1955 11.678 2.256 4.909 1.00 0.00 H new ATOM 296 N GLU A1956 9.495 -0.144 0.958 1.00 0.00 N ATOM 297 CA GLU A1956 9.307 -0.317 -0.488 1.00 0.00 C ATOM 298 C GLU A1956 7.823 -0.345 -0.840 1.00 0.00 C ATOM 299 O GLU A1956 7.372 0.455 -1.656 1.00 0.00 O ATOM 300 CB GLU A1956 10.003 -1.605 -0.975 1.00 0.00 C ATOM 301 CG GLU A1956 11.543 -1.546 -0.855 1.00 0.00 C ATOM 302 CD GLU A1956 12.277 -1.230 -2.177 1.00 0.00 C ATOM 303 OE1 GLU A1956 12.288 -2.100 -3.077 1.00 0.00 O ATOM 304 OE2 GLU A1956 12.906 -0.156 -2.317 1.00 0.00 O ATOM 0 H GLU A1956 10.078 -0.861 1.390 1.00 0.00 H new ATOM 0 HA GLU A1956 9.762 0.534 -0.995 1.00 0.00 H new ATOM 0 HB2 GLU A1956 9.632 -2.452 -0.397 1.00 0.00 H new ATOM 0 HB3 GLU A1956 9.732 -1.786 -2.015 1.00 0.00 H new ATOM 0 HG2 GLU A1956 11.809 -0.789 -0.117 1.00 0.00 H new ATOM 0 HG3 GLU A1956 11.902 -2.502 -0.474 1.00 0.00 H new ATOM 311 N ILE A1957 7.040 -1.196 -0.172 1.00 0.00 N ATOM 312 CA ILE A1957 5.616 -1.329 -0.435 1.00 0.00 C ATOM 313 C ILE A1957 4.863 -0.107 0.084 1.00 0.00 C ATOM 314 O ILE A1957 3.963 0.373 -0.591 1.00 0.00 O ATOM 315 CB ILE A1957 5.066 -2.619 0.203 1.00 0.00 C ATOM 316 CG1 ILE A1957 5.987 -3.843 -0.007 1.00 0.00 C ATOM 317 CG2 ILE A1957 3.658 -2.976 -0.281 1.00 0.00 C ATOM 318 CD1 ILE A1957 6.666 -4.170 1.319 1.00 0.00 C ATOM 0 H ILE A1957 7.382 -1.811 0.567 1.00 0.00 H new ATOM 0 HA ILE A1957 5.467 -1.392 -1.513 1.00 0.00 H new ATOM 0 HB ILE A1957 5.025 -2.388 1.268 1.00 0.00 H new ATOM 0 HG12 ILE A1957 5.408 -4.697 -0.357 1.00 0.00 H new ATOM 0 HG13 ILE A1957 6.733 -3.629 -0.772 1.00 0.00 H new ATOM 0 HG21 ILE A1957 3.328 -3.894 0.205 1.00 0.00 H new ATOM 0 HG22 ILE A1957 2.972 -2.167 -0.032 1.00 0.00 H new ATOM 0 HG23 ILE A1957 3.671 -3.122 -1.361 1.00 0.00 H new ATOM 0 HD11 ILE A1957 7.320 -5.032 1.190 1.00 0.00 H new ATOM 0 HD12 ILE A1957 7.255 -3.313 1.647 1.00 0.00 H new ATOM 0 HD13 ILE A1957 5.909 -4.399 2.069 1.00 0.00 H new ATOM 330 N LYS A1958 5.183 0.415 1.271 1.00 0.00 N ATOM 331 CA LYS A1958 4.492 1.561 1.834 1.00 0.00 C ATOM 332 C LYS A1958 4.563 2.754 0.895 1.00 0.00 C ATOM 333 O LYS A1958 3.524 3.317 0.552 1.00 0.00 O ATOM 334 CB LYS A1958 5.150 1.863 3.178 1.00 0.00 C ATOM 335 CG LYS A1958 4.720 3.198 3.795 1.00 0.00 C ATOM 336 CD LYS A1958 5.957 4.068 4.001 1.00 0.00 C ATOM 337 CE LYS A1958 6.922 3.515 5.044 1.00 0.00 C ATOM 338 NZ LYS A1958 7.951 4.498 5.450 1.00 0.00 N ATOM 0 H LYS A1958 5.929 0.050 1.863 1.00 0.00 H new ATOM 0 HA LYS A1958 3.432 1.346 1.973 1.00 0.00 H new ATOM 0 HB2 LYS A1958 4.914 1.059 3.875 1.00 0.00 H new ATOM 0 HB3 LYS A1958 6.232 1.866 3.049 1.00 0.00 H new ATOM 0 HG2 LYS A1958 4.008 3.703 3.142 1.00 0.00 H new ATOM 0 HG3 LYS A1958 4.215 3.029 4.746 1.00 0.00 H new ATOM 0 HD2 LYS A1958 6.481 4.171 3.051 1.00 0.00 H new ATOM 0 HD3 LYS A1958 5.643 5.067 4.302 1.00 0.00 H new ATOM 0 HE2 LYS A1958 6.359 3.201 5.923 1.00 0.00 H new ATOM 0 HE3 LYS A1958 7.412 2.627 4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A1958 8.579 4.070 6.160 1.00 0.00 H new ATOM 0 HZ2 LYS A1958 8.509 4.780 4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A1958 7.489 5.336 5.857 1.00 0.00 H new ATOM 352 N GLN A1959 5.773 3.124 0.479 1.00 0.00 N ATOM 353 CA GLN A1959 5.914 4.265 -0.405 1.00 0.00 C ATOM 354 C GLN A1959 5.143 4.040 -1.717 1.00 0.00 C ATOM 355 O GLN A1959 4.552 4.972 -2.255 1.00 0.00 O ATOM 356 CB GLN A1959 7.382 4.640 -0.681 1.00 0.00 C ATOM 357 CG GLN A1959 8.158 3.661 -1.579 1.00 0.00 C ATOM 358 CD GLN A1959 9.432 4.239 -2.160 1.00 0.00 C ATOM 359 OE1 GLN A1959 9.942 5.284 -1.753 1.00 0.00 O ATOM 360 NE2 GLN A1959 9.946 3.599 -3.195 1.00 0.00 N ATOM 0 H GLN A1959 6.645 2.661 0.735 1.00 0.00 H new ATOM 0 HA GLN A1959 5.476 5.116 0.117 1.00 0.00 H new ATOM 0 HB2 GLN A1959 7.406 5.627 -1.143 1.00 0.00 H new ATOM 0 HB3 GLN A1959 7.903 4.722 0.273 1.00 0.00 H new ATOM 0 HG2 GLN A1959 8.405 2.771 -1.001 1.00 0.00 H new ATOM 0 HG3 GLN A1959 7.511 3.341 -2.395 1.00 0.00 H new ATOM 0 HE21 GLN A1959 9.517 2.734 -3.525 1.00 0.00 H new ATOM 0 HE22 GLN A1959 10.772 3.969 -3.665 1.00 0.00 H new ATOM 369 N VAL A1960 5.149 2.802 -2.223 1.00 0.00 N ATOM 370 CA VAL A1960 4.490 2.411 -3.459 1.00 0.00 C ATOM 371 C VAL A1960 2.985 2.574 -3.291 1.00 0.00 C ATOM 372 O VAL A1960 2.332 3.189 -4.128 1.00 0.00 O ATOM 373 CB VAL A1960 4.958 0.990 -3.843 1.00 0.00 C ATOM 374 CG1 VAL A1960 3.972 0.205 -4.707 1.00 0.00 C ATOM 375 CG2 VAL A1960 6.307 1.069 -4.572 1.00 0.00 C ATOM 0 H VAL A1960 5.629 2.027 -1.765 1.00 0.00 H new ATOM 0 HA VAL A1960 4.763 3.052 -4.297 1.00 0.00 H new ATOM 0 HB VAL A1960 5.041 0.446 -2.902 1.00 0.00 H new ATOM 0 HG11 VAL A1960 4.385 -0.780 -4.927 1.00 0.00 H new ATOM 0 HG12 VAL A1960 3.029 0.092 -4.172 1.00 0.00 H new ATOM 0 HG13 VAL A1960 3.798 0.742 -5.640 1.00 0.00 H new ATOM 0 HG21 VAL A1960 6.634 0.065 -4.841 1.00 0.00 H new ATOM 0 HG22 VAL A1960 6.198 1.670 -5.475 1.00 0.00 H new ATOM 0 HG23 VAL A1960 7.048 1.529 -3.918 1.00 0.00 H new ATOM 385 N LEU A1961 2.421 2.071 -2.199 1.00 0.00 N ATOM 386 CA LEU A1961 1.007 2.174 -1.909 1.00 0.00 C ATOM 387 C LEU A1961 0.572 3.646 -1.864 1.00 0.00 C ATOM 388 O LEU A1961 -0.586 3.905 -2.153 1.00 0.00 O ATOM 389 CB LEU A1961 0.698 1.455 -0.606 1.00 0.00 C ATOM 390 CG LEU A1961 0.770 -0.080 -0.676 1.00 0.00 C ATOM 391 CD1 LEU A1961 0.630 -0.597 0.753 1.00 0.00 C ATOM 392 CD2 LEU A1961 -0.284 -0.686 -1.613 1.00 0.00 C ATOM 0 H LEU A1961 2.948 1.573 -1.482 1.00 0.00 H new ATOM 0 HA LEU A1961 0.438 1.693 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A1961 1.395 1.802 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A1961 -0.301 1.742 -0.279 1.00 0.00 H new ATOM 0 HG LEU A1961 1.724 -0.386 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A1961 0.676 -1.686 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A1961 1.441 -0.200 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A1961 -0.326 -0.274 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A1961 -0.183 -1.771 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A1961 -1.280 -0.417 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A1961 -0.138 -0.301 -2.622 1.00 0.00 H new ATOM 404 N LYS A1962 1.420 4.615 -1.475 1.00 0.00 N ATOM 405 CA LYS A1962 1.025 6.024 -1.433 1.00 0.00 C ATOM 406 C LYS A1962 0.640 6.497 -2.819 1.00 0.00 C ATOM 407 O LYS A1962 -0.472 6.984 -2.997 1.00 0.00 O ATOM 408 CB LYS A1962 2.152 6.932 -0.892 1.00 0.00 C ATOM 409 CG LYS A1962 1.867 8.409 -1.200 1.00 0.00 C ATOM 410 CD LYS A1962 2.283 9.383 -0.105 1.00 0.00 C ATOM 411 CE LYS A1962 3.774 9.710 -0.098 1.00 0.00 C ATOM 412 NZ LYS A1962 4.611 8.566 0.317 1.00 0.00 N ATOM 0 H LYS A1962 2.383 4.442 -1.186 1.00 0.00 H new ATOM 0 HA LYS A1962 0.174 6.095 -0.755 1.00 0.00 H new ATOM 0 HB2 LYS A1962 2.249 6.794 0.185 1.00 0.00 H new ATOM 0 HB3 LYS A1962 3.103 6.641 -1.338 1.00 0.00 H new ATOM 0 HG2 LYS A1962 2.382 8.679 -2.122 1.00 0.00 H new ATOM 0 HG3 LYS A1962 0.799 8.527 -1.385 1.00 0.00 H new ATOM 0 HD2 LYS A1962 1.719 10.308 -0.223 1.00 0.00 H new ATOM 0 HD3 LYS A1962 2.009 8.964 0.863 1.00 0.00 H new ATOM 0 HE2 LYS A1962 4.075 10.031 -1.095 1.00 0.00 H new ATOM 0 HE3 LYS A1962 3.954 10.548 0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A1962 5.563 8.904 0.565 1.00 0.00 H new ATOM 0 HZ2 LYS A1962 4.182 8.103 1.144 1.00 0.00 H new ATOM 0 HZ3 LYS A1962 4.679 7.884 -0.465 1.00 0.00 H new ATOM 426 N GLN A1963 1.572 6.385 -3.760 1.00 0.00 N ATOM 427 CA GLN A1963 1.363 6.831 -5.131 1.00 0.00 C ATOM 428 C GLN A1963 0.100 6.191 -5.702 1.00 0.00 C ATOM 429 O GLN A1963 -0.718 6.860 -6.324 1.00 0.00 O ATOM 430 CB GLN A1963 2.648 6.622 -5.964 1.00 0.00 C ATOM 431 CG GLN A1963 2.797 5.272 -6.665 1.00 0.00 C ATOM 432 CD GLN A1963 4.245 4.908 -6.969 1.00 0.00 C ATOM 433 OE1 GLN A1963 5.034 5.692 -7.489 1.00 0.00 O ATOM 434 NE2 GLN A1963 4.651 3.682 -6.684 1.00 0.00 N ATOM 0 H GLN A1963 2.494 5.982 -3.592 1.00 0.00 H new ATOM 0 HA GLN A1963 1.179 7.905 -5.166 1.00 0.00 H new ATOM 0 HB2 GLN A1963 2.695 7.406 -6.720 1.00 0.00 H new ATOM 0 HB3 GLN A1963 3.506 6.761 -5.307 1.00 0.00 H new ATOM 0 HG2 GLN A1963 2.358 4.495 -6.039 1.00 0.00 H new ATOM 0 HG3 GLN A1963 2.231 5.289 -7.596 1.00 0.00 H new ATOM 0 HE21 GLN A1963 4.007 3.019 -6.252 1.00 0.00 H new ATOM 0 HE22 GLN A1963 5.608 3.399 -6.896 1.00 0.00 H new ATOM 443 N GLN A1964 -0.066 4.902 -5.402 1.00 0.00 N ATOM 444 CA GLN A1964 -1.170 4.063 -5.819 1.00 0.00 C ATOM 445 C GLN A1964 -2.485 4.501 -5.163 1.00 0.00 C ATOM 446 O GLN A1964 -3.543 4.358 -5.770 1.00 0.00 O ATOM 447 CB GLN A1964 -0.832 2.619 -5.418 1.00 0.00 C ATOM 448 CG GLN A1964 0.354 1.998 -6.175 1.00 0.00 C ATOM 449 CD GLN A1964 -0.045 1.323 -7.480 1.00 0.00 C ATOM 450 OE1 GLN A1964 -0.504 1.965 -8.418 1.00 0.00 O ATOM 451 NE2 GLN A1964 0.098 0.014 -7.568 1.00 0.00 N ATOM 0 H GLN A1964 0.609 4.395 -4.829 1.00 0.00 H new ATOM 0 HA GLN A1964 -1.308 4.146 -6.897 1.00 0.00 H new ATOM 0 HB2 GLN A1964 -0.615 2.595 -4.350 1.00 0.00 H new ATOM 0 HB3 GLN A1964 -1.713 1.997 -5.579 1.00 0.00 H new ATOM 0 HG2 GLN A1964 1.087 2.776 -6.387 1.00 0.00 H new ATOM 0 HG3 GLN A1964 0.843 1.267 -5.531 1.00 0.00 H new ATOM 0 HE21 GLN A1964 0.481 -0.511 -6.782 1.00 0.00 H new ATOM 0 HE22 GLN A1964 -0.174 -0.473 -8.422 1.00 0.00 H new ATOM 460 N LEU A1965 -2.452 4.990 -3.921 1.00 0.00 N ATOM 461 CA LEU A1965 -3.632 5.425 -3.191 1.00 0.00 C ATOM 462 C LEU A1965 -4.049 6.797 -3.675 1.00 0.00 C ATOM 463 O LEU A1965 -5.231 6.998 -3.931 1.00 0.00 O ATOM 464 CB LEU A1965 -3.351 5.436 -1.674 1.00 0.00 C ATOM 465 CG LEU A1965 -4.563 5.656 -0.747 1.00 0.00 C ATOM 466 CD1 LEU A1965 -4.922 7.114 -0.487 1.00 0.00 C ATOM 467 CD2 LEU A1965 -5.787 4.826 -1.147 1.00 0.00 C ATOM 0 H LEU A1965 -1.587 5.094 -3.391 1.00 0.00 H new ATOM 0 HA LEU A1965 -4.448 4.726 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A1965 -2.886 4.487 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU A1965 -2.620 6.218 -1.469 1.00 0.00 H new ATOM 0 HG LEU A1965 -4.218 5.277 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A1965 -5.786 7.163 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A1965 -4.077 7.619 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A1965 -5.160 7.604 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A1965 -6.605 5.027 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A1965 -6.093 5.094 -2.158 1.00 0.00 H new ATOM 0 HD23 LEU A1965 -5.535 3.766 -1.113 1.00 0.00 H new ATOM 479 N ALA A1966 -3.098 7.730 -3.808 1.00 0.00 N ATOM 480 CA ALA A1966 -3.421 9.072 -4.251 1.00 0.00 C ATOM 481 C ALA A1966 -4.097 9.028 -5.614 1.00 0.00 C ATOM 482 O ALA A1966 -5.113 9.689 -5.790 1.00 0.00 O ATOM 483 CB ALA A1966 -2.191 9.995 -4.278 1.00 0.00 C ATOM 0 H ALA A1966 -2.109 7.572 -3.614 1.00 0.00 H new ATOM 0 HA ALA A1966 -4.113 9.496 -3.524 1.00 0.00 H new ATOM 0 HB1 ALA A1966 -2.488 10.987 -4.617 1.00 0.00 H new ATOM 0 HB2 ALA A1966 -1.767 10.065 -3.276 1.00 0.00 H new ATOM 0 HB3 ALA A1966 -1.445 9.587 -4.960 1.00 0.00 H new ATOM 489 N GLU A1967 -3.586 8.214 -6.543 1.00 0.00 N ATOM 490 CA GLU A1967 -4.194 8.118 -7.865 1.00 0.00 C ATOM 491 C GLU A1967 -5.605 7.521 -7.787 1.00 0.00 C ATOM 492 O GLU A1967 -6.504 7.965 -8.497 1.00 0.00 O ATOM 493 CB GLU A1967 -3.294 7.350 -8.852 1.00 0.00 C ATOM 494 CG GLU A1967 -3.074 5.863 -8.522 1.00 0.00 C ATOM 495 CD GLU A1967 -2.348 5.039 -9.592 1.00 0.00 C ATOM 496 OE1 GLU A1967 -1.361 5.503 -10.208 1.00 0.00 O ATOM 497 OE2 GLU A1967 -2.811 3.894 -9.842 1.00 0.00 O ATOM 0 H GLU A1967 -2.766 7.623 -6.404 1.00 0.00 H new ATOM 0 HA GLU A1967 -4.294 9.131 -8.255 1.00 0.00 H new ATOM 0 HB2 GLU A1967 -3.730 7.423 -9.848 1.00 0.00 H new ATOM 0 HB3 GLU A1967 -2.323 7.844 -8.892 1.00 0.00 H new ATOM 0 HG2 GLU A1967 -2.507 5.797 -7.594 1.00 0.00 H new ATOM 0 HG3 GLU A1967 -4.045 5.405 -8.335 1.00 0.00 H new ATOM 504 N ALA A1968 -5.818 6.532 -6.911 1.00 0.00 N ATOM 505 CA ALA A1968 -7.120 5.893 -6.749 1.00 0.00 C ATOM 506 C ALA A1968 -8.130 6.879 -6.170 1.00 0.00 C ATOM 507 O ALA A1968 -9.314 6.809 -6.499 1.00 0.00 O ATOM 508 CB ALA A1968 -7.008 4.640 -5.876 1.00 0.00 C ATOM 0 H ALA A1968 -5.093 6.157 -6.299 1.00 0.00 H new ATOM 0 HA ALA A1968 -7.475 5.582 -7.731 1.00 0.00 H new ATOM 0 HB1 ALA A1968 -7.991 4.181 -5.770 1.00 0.00 H new ATOM 0 HB2 ALA A1968 -6.325 3.931 -6.344 1.00 0.00 H new ATOM 0 HB3 ALA A1968 -6.628 4.915 -4.892 1.00 0.00 H new ATOM 514 N LEU A1969 -7.662 7.797 -5.322 1.00 0.00 N ATOM 515 CA LEU A1969 -8.481 8.819 -4.692 1.00 0.00 C ATOM 516 C LEU A1969 -8.479 10.123 -5.500 1.00 0.00 C ATOM 517 O LEU A1969 -9.087 11.097 -5.055 1.00 0.00 O ATOM 518 CB LEU A1969 -8.003 9.080 -3.255 1.00 0.00 C ATOM 519 CG LEU A1969 -8.128 7.883 -2.293 1.00 0.00 C ATOM 520 CD1 LEU A1969 -8.059 8.409 -0.864 1.00 0.00 C ATOM 521 CD2 LEU A1969 -9.425 7.087 -2.445 1.00 0.00 C ATOM 0 H LEU A1969 -6.680 7.846 -5.052 1.00 0.00 H new ATOM 0 HA LEU A1969 -9.506 8.449 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU A1969 -6.959 9.392 -3.288 1.00 0.00 H new ATOM 0 HB3 LEU A1969 -8.572 9.915 -2.846 1.00 0.00 H new ATOM 0 HG LEU A1969 -7.312 7.203 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A1969 -8.146 7.577 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A1969 -7.107 8.916 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A1969 -8.875 9.111 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A1969 -9.432 6.263 -1.731 1.00 0.00 H new ATOM 0 HD22 LEU A1969 -10.277 7.740 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU A1969 -9.492 6.690 -3.458 1.00 0.00 H new ATOM 533 N TYR A1970 -7.830 10.136 -6.670 1.00 0.00 N ATOM 534 CA TYR A1970 -7.689 11.263 -7.574 1.00 0.00 C ATOM 535 C TYR A1970 -7.184 12.512 -6.830 1.00 0.00 C ATOM 536 O TYR A1970 -7.811 13.575 -6.843 1.00 0.00 O ATOM 537 CB TYR A1970 -8.983 11.445 -8.380 1.00 0.00 C ATOM 538 CG TYR A1970 -8.815 12.343 -9.586 1.00 0.00 C ATOM 539 CD1 TYR A1970 -8.107 11.882 -10.710 1.00 0.00 C ATOM 540 CD2 TYR A1970 -9.343 13.645 -9.576 1.00 0.00 C ATOM 541 CE1 TYR A1970 -7.921 12.724 -11.820 1.00 0.00 C ATOM 542 CE2 TYR A1970 -9.155 14.498 -10.675 1.00 0.00 C ATOM 543 CZ TYR A1970 -8.439 14.038 -11.803 1.00 0.00 C ATOM 544 OH TYR A1970 -8.255 14.852 -12.878 1.00 0.00 O ATOM 0 H TYR A1970 -7.363 9.302 -7.025 1.00 0.00 H new ATOM 0 HA TYR A1970 -6.912 11.068 -8.313 1.00 0.00 H new ATOM 0 HB2 TYR A1970 -9.338 10.469 -8.709 1.00 0.00 H new ATOM 0 HB3 TYR A1970 -9.752 11.861 -7.730 1.00 0.00 H new ATOM 0 HD1 TYR A1970 -7.706 10.879 -10.720 1.00 0.00 H new ATOM 0 HD2 TYR A1970 -9.897 13.992 -8.717 1.00 0.00 H new ATOM 0 HE1 TYR A1970 -7.382 12.367 -12.685 1.00 0.00 H new ATOM 0 HE2 TYR A1970 -9.556 15.501 -10.658 1.00 0.00 H new ATOM 0 HH TYR A1970 -8.674 15.721 -12.706 1.00 0.00 H new ATOM 554 N THR A1971 -6.047 12.378 -6.145 1.00 0.00 N ATOM 555 CA THR A1971 -5.406 13.442 -5.383 1.00 0.00 C ATOM 556 C THR A1971 -3.885 13.363 -5.571 1.00 0.00 C ATOM 557 O THR A1971 -3.386 12.601 -6.404 1.00 0.00 O ATOM 558 CB THR A1971 -5.875 13.364 -3.915 1.00 0.00 C ATOM 559 OG1 THR A1971 -5.728 14.616 -3.272 1.00 0.00 O ATOM 560 CG2 THR A1971 -5.149 12.277 -3.115 1.00 0.00 C ATOM 0 H THR A1971 -5.534 11.497 -6.106 1.00 0.00 H new ATOM 0 HA THR A1971 -5.699 14.427 -5.745 1.00 0.00 H new ATOM 0 HB THR A1971 -6.930 13.093 -3.945 1.00 0.00 H new ATOM 0 HG1 THR A1971 -5.951 14.524 -2.322 1.00 0.00 H new ATOM 0 HG21 THR A1971 -5.521 12.270 -2.090 1.00 0.00 H new ATOM 0 HG22 THR A1971 -5.331 11.305 -3.574 1.00 0.00 H new ATOM 0 HG23 THR A1971 -4.078 12.482 -3.111 1.00 0.00 H new ATOM 568 N GLU A1972 -3.147 14.186 -4.829 1.00 0.00 N ATOM 569 CA GLU A1972 -1.693 14.251 -4.874 1.00 0.00 C ATOM 570 C GLU A1972 -1.087 13.530 -3.680 1.00 0.00 C ATOM 571 O GLU A1972 -1.597 13.568 -2.563 1.00 0.00 O ATOM 572 CB GLU A1972 -1.230 15.711 -4.856 1.00 0.00 C ATOM 573 CG GLU A1972 -1.600 16.440 -6.151 1.00 0.00 C ATOM 574 CD GLU A1972 -1.209 17.918 -6.131 1.00 0.00 C ATOM 575 OE1 GLU A1972 -0.262 18.306 -5.408 1.00 0.00 O ATOM 576 OE2 GLU A1972 -1.810 18.721 -6.886 1.00 0.00 O ATOM 0 H GLU A1972 -3.557 14.842 -4.164 1.00 0.00 H new ATOM 0 HA GLU A1972 -1.362 13.768 -5.794 1.00 0.00 H new ATOM 0 HB2 GLU A1972 -1.681 16.225 -4.008 1.00 0.00 H new ATOM 0 HB3 GLU A1972 -0.150 15.748 -4.714 1.00 0.00 H new ATOM 0 HG2 GLU A1972 -1.108 15.950 -6.992 1.00 0.00 H new ATOM 0 HG3 GLU A1972 -2.674 16.355 -6.316 1.00 0.00 H new ATOM 583 N GLU A1973 0.079 12.935 -3.887 1.00 0.00 N ATOM 584 CA GLU A1973 0.797 12.199 -2.863 1.00 0.00 C ATOM 585 C GLU A1973 1.245 13.110 -1.727 1.00 0.00 C ATOM 586 O GLU A1973 1.466 12.654 -0.608 1.00 0.00 O ATOM 587 CB GLU A1973 2.012 11.505 -3.477 1.00 0.00 C ATOM 588 CG GLU A1973 1.664 10.698 -4.730 1.00 0.00 C ATOM 589 CD GLU A1973 2.881 9.944 -5.258 1.00 0.00 C ATOM 590 OE1 GLU A1973 3.589 9.306 -4.449 1.00 0.00 O ATOM 591 OE2 GLU A1973 3.099 10.003 -6.493 1.00 0.00 O ATOM 0 H GLU A1973 0.558 12.952 -4.787 1.00 0.00 H new ATOM 0 HA GLU A1973 0.117 11.454 -2.449 1.00 0.00 H new ATOM 0 HB2 GLU A1973 2.763 12.253 -3.730 1.00 0.00 H new ATOM 0 HB3 GLU A1973 2.459 10.842 -2.736 1.00 0.00 H new ATOM 0 HG2 GLU A1973 0.867 9.991 -4.500 1.00 0.00 H new ATOM 0 HG3 GLU A1973 1.284 11.367 -5.502 1.00 0.00 H new ATOM 598 N SER A1974 1.382 14.404 -1.995 1.00 0.00 N ATOM 599 CA SER A1974 1.785 15.400 -1.016 1.00 0.00 C ATOM 600 C SER A1974 0.696 15.614 0.041 1.00 0.00 C ATOM 601 O SER A1974 0.924 16.352 1.001 1.00 0.00 O ATOM 602 CB SER A1974 2.073 16.716 -1.742 1.00 0.00 C ATOM 603 OG SER A1974 3.076 16.538 -2.725 1.00 0.00 O ATOM 0 H SER A1974 1.211 14.796 -2.921 1.00 0.00 H new ATOM 0 HA SER A1974 2.680 15.048 -0.503 1.00 0.00 H new ATOM 0 HB2 SER A1974 1.161 17.086 -2.210 1.00 0.00 H new ATOM 0 HB3 SER A1974 2.392 17.471 -1.023 1.00 0.00 H new ATOM 0 HG SER A1974 3.244 17.390 -3.179 1.00 0.00 H new ATOM 609 N GLU A1975 -0.472 14.980 -0.103 1.00 0.00 N ATOM 610 CA GLU A1975 -1.585 15.121 0.823 1.00 0.00 C ATOM 611 C GLU A1975 -1.802 13.865 1.678 1.00 0.00 C ATOM 612 O GLU A1975 -2.399 13.923 2.755 1.00 0.00 O ATOM 613 CB GLU A1975 -2.803 15.549 -0.003 1.00 0.00 C ATOM 614 CG GLU A1975 -3.696 14.406 -0.523 1.00 0.00 C ATOM 615 CD GLU A1975 -5.115 14.478 0.058 1.00 0.00 C ATOM 616 OE1 GLU A1975 -5.278 14.867 1.243 1.00 0.00 O ATOM 617 OE2 GLU A1975 -6.083 14.250 -0.690 1.00 0.00 O ATOM 0 H GLU A1975 -0.667 14.347 -0.879 1.00 0.00 H new ATOM 0 HA GLU A1975 -1.379 15.888 1.569 1.00 0.00 H new ATOM 0 HB2 GLU A1975 -3.415 16.215 0.605 1.00 0.00 H new ATOM 0 HB3 GLU A1975 -2.453 16.129 -0.857 1.00 0.00 H new ATOM 0 HG2 GLU A1975 -3.747 14.451 -1.611 1.00 0.00 H new ATOM 0 HG3 GLU A1975 -3.246 13.447 -0.264 1.00 0.00 H new ATOM 624 N ILE A1976 -1.280 12.729 1.220 1.00 0.00 N ATOM 625 CA ILE A1976 -1.399 11.434 1.863 1.00 0.00 C ATOM 626 C ILE A1976 -0.374 11.327 2.991 1.00 0.00 C ATOM 627 O ILE A1976 0.632 12.042 3.040 1.00 0.00 O ATOM 628 CB ILE A1976 -1.181 10.294 0.832 1.00 0.00 C ATOM 629 CG1 ILE A1976 -1.683 10.565 -0.603 1.00 0.00 C ATOM 630 CG2 ILE A1976 -1.694 8.912 1.284 1.00 0.00 C ATOM 631 CD1 ILE A1976 -3.082 10.108 -0.982 1.00 0.00 C ATOM 0 H ILE A1976 -0.741 12.690 0.355 1.00 0.00 H new ATOM 0 HA ILE A1976 -2.402 11.335 2.277 1.00 0.00 H new ATOM 0 HB ILE A1976 -0.092 10.276 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A1976 -1.628 11.640 -0.776 1.00 0.00 H new ATOM 0 HG13 ILE A1976 -0.983 10.095 -1.293 1.00 0.00 H new ATOM 0 HG21 ILE A1976 -1.500 8.178 0.502 1.00 0.00 H new ATOM 0 HG22 ILE A1976 -1.179 8.614 2.197 1.00 0.00 H new ATOM 0 HG23 ILE A1976 -2.766 8.966 1.473 1.00 0.00 H new ATOM 0 HD11 ILE A1976 -3.282 10.372 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE A1976 -3.157 9.027 -0.862 1.00 0.00 H new ATOM 0 HD13 ILE A1976 -3.812 10.596 -0.336 1.00 0.00 H new ATOM 643 N ALA A1977 -0.664 10.421 3.914 1.00 0.00 N ATOM 644 CA ALA A1977 0.149 10.072 5.057 1.00 0.00 C ATOM 645 C ALA A1977 0.157 8.551 5.088 1.00 0.00 C ATOM 646 O ALA A1977 -0.782 7.915 4.611 1.00 0.00 O ATOM 647 CB ALA A1977 -0.428 10.661 6.334 1.00 0.00 C ATOM 0 H ALA A1977 -1.528 9.880 3.877 1.00 0.00 H new ATOM 0 HA ALA A1977 1.160 10.472 4.982 1.00 0.00 H new ATOM 0 HB1 ALA A1977 0.202 10.384 7.179 1.00 0.00 H new ATOM 0 HB2 ALA A1977 -0.465 11.747 6.249 1.00 0.00 H new ATOM 0 HB3 ALA A1977 -1.435 10.275 6.490 1.00 0.00 H new ATOM 653 N GLU A1978 1.155 7.969 5.735 1.00 0.00 N ATOM 654 CA GLU A1978 1.328 6.522 5.834 1.00 0.00 C ATOM 655 C GLU A1978 0.621 5.921 7.042 1.00 0.00 C ATOM 656 O GLU A1978 0.464 4.708 7.094 1.00 0.00 O ATOM 657 CB GLU A1978 2.818 6.166 5.867 1.00 0.00 C ATOM 658 CG GLU A1978 3.777 7.105 5.134 1.00 0.00 C ATOM 659 CD GLU A1978 3.621 7.348 3.621 1.00 0.00 C ATOM 660 OE1 GLU A1978 2.944 8.334 3.257 1.00 0.00 O ATOM 661 OE2 GLU A1978 4.328 6.718 2.803 1.00 0.00 O ATOM 0 H GLU A1978 1.883 8.497 6.216 1.00 0.00 H new ATOM 0 HA GLU A1978 0.865 6.090 4.947 1.00 0.00 H new ATOM 0 HB2 GLU A1978 3.129 6.112 6.910 1.00 0.00 H new ATOM 0 HB3 GLU A1978 2.936 5.167 5.447 1.00 0.00 H new ATOM 0 HG2 GLU A1978 3.716 8.076 5.625 1.00 0.00 H new ATOM 0 HG3 GLU A1978 4.786 6.728 5.298 1.00 0.00 H new ATOM 668 N ASP A1979 0.182 6.753 7.984 1.00 0.00 N ATOM 669 CA ASP A1979 -0.494 6.359 9.219 1.00 0.00 C ATOM 670 C ASP A1979 -1.922 6.930 9.312 1.00 0.00 C ATOM 671 O ASP A1979 -2.611 6.746 10.315 1.00 0.00 O ATOM 672 CB ASP A1979 0.412 6.793 10.375 1.00 0.00 C ATOM 673 CG ASP A1979 -0.091 6.328 11.737 1.00 0.00 C ATOM 674 OD1 ASP A1979 -0.126 5.100 11.993 1.00 0.00 O ATOM 675 OD2 ASP A1979 -0.430 7.217 12.552 1.00 0.00 O ATOM 0 H ASP A1979 0.292 7.764 7.904 1.00 0.00 H new ATOM 0 HA ASP A1979 -0.643 5.280 9.254 1.00 0.00 H new ATOM 0 HB2 ASP A1979 1.415 6.398 10.211 1.00 0.00 H new ATOM 0 HB3 ASP A1979 0.494 7.880 10.376 1.00 0.00 H new ATOM 680 N GLN A1980 -2.377 7.658 8.287 1.00 0.00 N ATOM 681 CA GLN A1980 -3.724 8.234 8.242 1.00 0.00 C ATOM 682 C GLN A1980 -4.603 7.251 7.504 1.00 0.00 C ATOM 683 O GLN A1980 -4.170 6.609 6.543 1.00 0.00 O ATOM 684 CB GLN A1980 -3.711 9.601 7.574 1.00 0.00 C ATOM 685 CG GLN A1980 -5.060 10.327 7.521 1.00 0.00 C ATOM 686 CD GLN A1980 -4.836 11.822 7.300 1.00 0.00 C ATOM 687 OE1 GLN A1980 -4.346 12.516 8.186 1.00 0.00 O ATOM 688 NE2 GLN A1980 -5.107 12.341 6.116 1.00 0.00 N ATOM 0 H GLN A1980 -1.817 7.865 7.460 1.00 0.00 H new ATOM 0 HA GLN A1980 -4.112 8.397 9.248 1.00 0.00 H new ATOM 0 HB2 GLN A1980 -2.998 10.236 8.100 1.00 0.00 H new ATOM 0 HB3 GLN A1980 -3.342 9.484 6.555 1.00 0.00 H new ATOM 0 HG2 GLN A1980 -5.671 9.919 6.716 1.00 0.00 H new ATOM 0 HG3 GLN A1980 -5.607 10.165 8.450 1.00 0.00 H new ATOM 0 HE21 GLN A1980 -5.514 11.758 5.385 1.00 0.00 H new ATOM 0 HE22 GLN A1980 -4.909 13.325 5.933 1.00 0.00 H new ATOM 697 N LYS A1981 -5.828 7.101 7.984 1.00 0.00 N ATOM 698 CA LYS A1981 -6.754 6.155 7.389 1.00 0.00 C ATOM 699 C LYS A1981 -7.134 6.599 5.994 1.00 0.00 C ATOM 700 O LYS A1981 -7.560 7.738 5.821 1.00 0.00 O ATOM 701 CB LYS A1981 -7.991 5.953 8.274 1.00 0.00 C ATOM 702 CG LYS A1981 -7.674 5.678 9.752 1.00 0.00 C ATOM 703 CD LYS A1981 -6.811 4.449 10.032 1.00 0.00 C ATOM 704 CE LYS A1981 -5.737 4.707 11.094 1.00 0.00 C ATOM 705 NZ LYS A1981 -6.320 5.064 12.399 1.00 0.00 N ATOM 0 H LYS A1981 -6.201 7.620 8.779 1.00 0.00 H new ATOM 0 HA LYS A1981 -6.256 5.189 7.312 1.00 0.00 H new ATOM 0 HB2 LYS A1981 -8.619 6.842 8.209 1.00 0.00 H new ATOM 0 HB3 LYS A1981 -8.574 5.121 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A1981 -7.171 6.553 10.164 1.00 0.00 H new ATOM 0 HG3 LYS A1981 -8.615 5.568 10.291 1.00 0.00 H new ATOM 0 HD2 LYS A1981 -7.450 3.629 10.360 1.00 0.00 H new ATOM 0 HD3 LYS A1981 -6.331 4.129 9.107 1.00 0.00 H new ATOM 0 HE2 LYS A1981 -5.118 3.817 11.206 1.00 0.00 H new ATOM 0 HE3 LYS A1981 -5.082 5.511 10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A1981 -5.558 5.213 13.091 1.00 0.00 H new ATOM 0 HZ2 LYS A1981 -6.876 5.937 12.303 1.00 0.00 H new ATOM 0 HZ3 LYS A1981 -6.938 4.294 12.725 1.00 0.00 H new ATOM 719 N PHE A1982 -7.060 5.696 5.015 1.00 0.00 N ATOM 720 CA PHE A1982 -7.409 5.978 3.636 1.00 0.00 C ATOM 721 C PHE A1982 -8.816 6.552 3.554 1.00 0.00 C ATOM 722 O PHE A1982 -9.063 7.427 2.734 1.00 0.00 O ATOM 723 CB PHE A1982 -7.344 4.698 2.800 1.00 0.00 C ATOM 724 CG PHE A1982 -6.073 3.899 2.865 1.00 0.00 C ATOM 725 CD1 PHE A1982 -4.844 4.543 2.676 1.00 0.00 C ATOM 726 CD2 PHE A1982 -6.121 2.510 3.076 1.00 0.00 C ATOM 727 CE1 PHE A1982 -3.663 3.797 2.715 1.00 0.00 C ATOM 728 CE2 PHE A1982 -4.934 1.762 3.097 1.00 0.00 C ATOM 729 CZ PHE A1982 -3.702 2.405 2.911 1.00 0.00 C ATOM 0 H PHE A1982 -6.750 4.736 5.168 1.00 0.00 H new ATOM 0 HA PHE A1982 -6.696 6.705 3.246 1.00 0.00 H new ATOM 0 HB2 PHE A1982 -8.166 4.051 3.108 1.00 0.00 H new ATOM 0 HB3 PHE A1982 -7.522 4.965 1.758 1.00 0.00 H new ATOM 0 HD1 PHE A1982 -4.809 5.608 2.501 1.00 0.00 H new ATOM 0 HD2 PHE A1982 -7.072 2.019 3.222 1.00 0.00 H new ATOM 0 HE1 PHE A1982 -2.712 4.294 2.594 1.00 0.00 H new ATOM 0 HE2 PHE A1982 -4.969 0.694 3.256 1.00 0.00 H new ATOM 0 HZ PHE A1982 -2.786 1.833 2.918 1.00 0.00 H new ATOM 739 N VAL A1983 -9.739 6.068 4.390 1.00 0.00 N ATOM 740 CA VAL A1983 -11.117 6.543 4.409 1.00 0.00 C ATOM 741 C VAL A1983 -11.164 8.054 4.611 1.00 0.00 C ATOM 742 O VAL A1983 -11.994 8.714 3.991 1.00 0.00 O ATOM 743 CB VAL A1983 -11.973 5.778 5.437 1.00 0.00 C ATOM 744 CG1 VAL A1983 -11.828 4.261 5.257 1.00 0.00 C ATOM 745 CG2 VAL A1983 -11.654 6.104 6.902 1.00 0.00 C ATOM 0 H VAL A1983 -9.547 5.334 5.072 1.00 0.00 H new ATOM 0 HA VAL A1983 -11.561 6.335 3.436 1.00 0.00 H new ATOM 0 HB VAL A1983 -12.991 6.110 5.235 1.00 0.00 H new ATOM 0 HG11 VAL A1983 -12.443 3.747 5.996 1.00 0.00 H new ATOM 0 HG12 VAL A1983 -12.154 3.981 4.255 1.00 0.00 H new ATOM 0 HG13 VAL A1983 -10.784 3.977 5.392 1.00 0.00 H new ATOM 0 HG21 VAL A1983 -12.304 5.521 7.554 1.00 0.00 H new ATOM 0 HG22 VAL A1983 -10.613 5.857 7.111 1.00 0.00 H new ATOM 0 HG23 VAL A1983 -11.818 7.166 7.082 1.00 0.00 H new ATOM 755 N ASP A1984 -10.262 8.605 5.427 1.00 0.00 N ATOM 756 CA ASP A1984 -10.203 10.032 5.700 1.00 0.00 C ATOM 757 C ASP A1984 -9.693 10.788 4.476 1.00 0.00 C ATOM 758 O ASP A1984 -10.135 11.908 4.230 1.00 0.00 O ATOM 759 CB ASP A1984 -9.342 10.287 6.944 1.00 0.00 C ATOM 760 CG ASP A1984 -9.683 11.604 7.643 1.00 0.00 C ATOM 761 OD1 ASP A1984 -10.842 11.778 8.090 1.00 0.00 O ATOM 762 OD2 ASP A1984 -8.756 12.412 7.882 1.00 0.00 O ATOM 0 H ASP A1984 -9.550 8.064 5.917 1.00 0.00 H new ATOM 0 HA ASP A1984 -11.205 10.407 5.910 1.00 0.00 H new ATOM 0 HB2 ASP A1984 -9.474 9.464 7.646 1.00 0.00 H new ATOM 0 HB3 ASP A1984 -8.291 10.295 6.657 1.00 0.00 H new ATOM 767 N LEU A1985 -8.780 10.174 3.706 1.00 0.00 N ATOM 768 CA LEU A1985 -8.240 10.760 2.474 1.00 0.00 C ATOM 769 C LEU A1985 -9.386 10.788 1.438 1.00 0.00 C ATOM 770 O LEU A1985 -9.429 11.688 0.602 1.00 0.00 O ATOM 771 CB LEU A1985 -7.005 10.003 1.919 1.00 0.00 C ATOM 772 CG LEU A1985 -5.646 10.234 2.615 1.00 0.00 C ATOM 773 CD1 LEU A1985 -5.070 11.632 2.356 1.00 0.00 C ATOM 774 CD2 LEU A1985 -5.674 9.906 4.101 1.00 0.00 C ATOM 0 H LEU A1985 -8.396 9.254 3.923 1.00 0.00 H new ATOM 0 HA LEU A1985 -7.878 11.765 2.692 1.00 0.00 H new ATOM 0 HB2 LEU A1985 -7.223 8.936 1.955 1.00 0.00 H new ATOM 0 HB3 LEU A1985 -6.893 10.270 0.868 1.00 0.00 H new ATOM 0 HG LEU A1985 -4.964 9.522 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A1985 -4.115 11.733 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A1985 -4.921 11.772 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A1985 -5.764 12.386 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A1985 -4.690 10.089 4.533 1.00 0.00 H new ATOM 0 HD22 LEU A1985 -6.411 10.536 4.599 1.00 0.00 H new ATOM 0 HD23 LEU A1985 -5.941 8.858 4.237 1.00 0.00 H new ATOM 786 N GLY A1986 -10.319 9.823 1.516 1.00 0.00 N ATOM 787 CA GLY A1986 -11.491 9.668 0.649 1.00 0.00 C ATOM 788 C GLY A1986 -11.773 8.231 0.190 1.00 0.00 C ATOM 789 O GLY A1986 -12.560 8.022 -0.729 1.00 0.00 O ATOM 0 H GLY A1986 -10.269 9.092 2.226 1.00 0.00 H new ATOM 0 HA2 GLY A1986 -12.367 10.043 1.178 1.00 0.00 H new ATOM 0 HA3 GLY A1986 -11.358 10.295 -0.232 1.00 0.00 H new ATOM 793 N LEU A1987 -11.139 7.224 0.797 1.00 0.00 N ATOM 794 CA LEU A1987 -11.306 5.811 0.434 1.00 0.00 C ATOM 795 C LEU A1987 -12.649 5.276 0.868 1.00 0.00 C ATOM 796 O LEU A1987 -12.864 4.893 2.024 1.00 0.00 O ATOM 797 CB LEU A1987 -10.147 4.988 1.013 1.00 0.00 C ATOM 798 CG LEU A1987 -9.847 3.564 0.517 1.00 0.00 C ATOM 799 CD1 LEU A1987 -10.877 2.543 0.992 1.00 0.00 C ATOM 800 CD2 LEU A1987 -9.627 3.506 -0.999 1.00 0.00 C ATOM 0 H LEU A1987 -10.485 7.368 1.566 1.00 0.00 H new ATOM 0 HA LEU A1987 -11.281 5.726 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A1987 -9.239 5.573 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A1987 -10.312 4.921 2.088 1.00 0.00 H new ATOM 0 HG LEU A1987 -8.902 3.279 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A1987 -10.614 1.556 0.611 1.00 0.00 H new ATOM 0 HD12 LEU A1987 -10.891 2.520 2.082 1.00 0.00 H new ATOM 0 HD13 LEU A1987 -11.864 2.823 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A1987 -9.419 2.479 -1.297 1.00 0.00 H new ATOM 0 HD22 LEU A1987 -10.523 3.858 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A1987 -8.783 4.140 -1.269 1.00 0.00 H new ATOM 812 N ASP A1988 -13.537 5.139 -0.104 1.00 0.00 N ATOM 813 CA ASP A1988 -14.854 4.621 0.184 1.00 0.00 C ATOM 814 C ASP A1988 -14.848 3.119 0.008 1.00 0.00 C ATOM 815 O ASP A1988 -13.926 2.544 -0.568 1.00 0.00 O ATOM 816 CB ASP A1988 -15.903 5.195 -0.745 1.00 0.00 C ATOM 817 CG ASP A1988 -16.298 6.610 -0.380 1.00 0.00 C ATOM 818 OD1 ASP A1988 -16.818 6.799 0.748 1.00 0.00 O ATOM 819 OD2 ASP A1988 -16.154 7.501 -1.239 1.00 0.00 O ATOM 0 H ASP A1988 -13.369 5.376 -1.082 1.00 0.00 H new ATOM 0 HA ASP A1988 -15.100 4.902 1.208 1.00 0.00 H new ATOM 0 HB2 ASP A1988 -15.524 5.180 -1.767 1.00 0.00 H new ATOM 0 HB3 ASP A1988 -16.788 4.559 -0.724 1.00 0.00 H new ATOM 824 N SER A1989 -15.912 2.489 0.485 1.00 0.00 N ATOM 825 CA SER A1989 -16.089 1.057 0.432 1.00 0.00 C ATOM 826 C SER A1989 -15.936 0.456 -0.971 1.00 0.00 C ATOM 827 O SER A1989 -15.493 -0.689 -1.093 1.00 0.00 O ATOM 828 CB SER A1989 -17.483 0.764 0.957 1.00 0.00 C ATOM 829 OG SER A1989 -17.512 -0.521 1.538 1.00 0.00 O ATOM 0 H SER A1989 -16.690 2.977 0.929 1.00 0.00 H new ATOM 0 HA SER A1989 -15.304 0.598 1.032 1.00 0.00 H new ATOM 0 HB2 SER A1989 -17.769 1.514 1.695 1.00 0.00 H new ATOM 0 HB3 SER A1989 -18.208 0.823 0.145 1.00 0.00 H new ATOM 0 HG SER A1989 -18.413 -0.706 1.877 1.00 0.00 H new ATOM 834 N ILE A1990 -16.382 1.161 -2.016 1.00 0.00 N ATOM 835 CA ILE A1990 -16.316 0.696 -3.393 1.00 0.00 C ATOM 836 C ILE A1990 -14.881 0.854 -3.891 1.00 0.00 C ATOM 837 O ILE A1990 -14.316 -0.058 -4.487 1.00 0.00 O ATOM 838 CB ILE A1990 -17.334 1.490 -4.242 1.00 0.00 C ATOM 839 CG1 ILE A1990 -18.786 1.238 -3.762 1.00 0.00 C ATOM 840 CG2 ILE A1990 -17.213 1.122 -5.730 1.00 0.00 C ATOM 841 CD1 ILE A1990 -19.685 2.447 -4.030 1.00 0.00 C ATOM 0 H ILE A1990 -16.804 2.084 -1.920 1.00 0.00 H new ATOM 0 HA ILE A1990 -16.581 -0.358 -3.473 1.00 0.00 H new ATOM 0 HB ILE A1990 -17.104 2.548 -4.117 1.00 0.00 H new ATOM 0 HG12 ILE A1990 -19.191 0.363 -4.270 1.00 0.00 H new ATOM 0 HG13 ILE A1990 -18.784 1.015 -2.695 1.00 0.00 H new ATOM 0 HG21 ILE A1990 -17.940 1.694 -6.307 1.00 0.00 H new ATOM 0 HG22 ILE A1990 -16.208 1.354 -6.082 1.00 0.00 H new ATOM 0 HG23 ILE A1990 -17.406 0.057 -5.858 1.00 0.00 H new ATOM 0 HD11 ILE A1990 -20.695 2.234 -3.680 1.00 0.00 H new ATOM 0 HD12 ILE A1990 -19.294 3.316 -3.501 1.00 0.00 H new ATOM 0 HD13 ILE A1990 -19.707 2.654 -5.100 1.00 0.00 H new ATOM 853 N VAL A1991 -14.291 2.018 -3.628 1.00 0.00 N ATOM 854 CA VAL A1991 -12.935 2.353 -4.021 1.00 0.00 C ATOM 855 C VAL A1991 -11.944 1.401 -3.331 1.00 0.00 C ATOM 856 O VAL A1991 -10.949 0.993 -3.925 1.00 0.00 O ATOM 857 CB VAL A1991 -12.677 3.838 -3.706 1.00 0.00 C ATOM 858 CG1 VAL A1991 -11.347 4.292 -4.298 1.00 0.00 C ATOM 859 CG2 VAL A1991 -13.766 4.750 -4.297 1.00 0.00 C ATOM 0 H VAL A1991 -14.760 2.770 -3.122 1.00 0.00 H new ATOM 0 HA VAL A1991 -12.793 2.220 -5.094 1.00 0.00 H new ATOM 0 HB VAL A1991 -12.673 3.920 -2.619 1.00 0.00 H new ATOM 0 HG11 VAL A1991 -11.185 5.344 -4.064 1.00 0.00 H new ATOM 0 HG12 VAL A1991 -10.538 3.697 -3.874 1.00 0.00 H new ATOM 0 HG13 VAL A1991 -11.366 4.160 -5.380 1.00 0.00 H new ATOM 0 HG21 VAL A1991 -13.544 5.788 -4.051 1.00 0.00 H new ATOM 0 HG22 VAL A1991 -13.791 4.632 -5.380 1.00 0.00 H new ATOM 0 HG23 VAL A1991 -14.735 4.477 -3.879 1.00 0.00 H new ATOM 869 N GLY A1992 -12.230 0.974 -2.098 1.00 0.00 N ATOM 870 CA GLY A1992 -11.363 0.088 -1.359 1.00 0.00 C ATOM 871 C GLY A1992 -11.364 -1.310 -1.959 1.00 0.00 C ATOM 872 O GLY A1992 -10.297 -1.905 -2.111 1.00 0.00 O ATOM 0 H GLY A1992 -13.075 1.241 -1.593 1.00 0.00 H new ATOM 0 HA2 GLY A1992 -10.348 0.485 -1.358 1.00 0.00 H new ATOM 0 HA3 GLY A1992 -11.688 0.041 -0.320 1.00 0.00 H new ATOM 876 N VAL A1993 -12.546 -1.846 -2.290 1.00 0.00 N ATOM 877 CA VAL A1993 -12.622 -3.179 -2.869 1.00 0.00 C ATOM 878 C VAL A1993 -11.951 -3.209 -4.240 1.00 0.00 C ATOM 879 O VAL A1993 -11.280 -4.186 -4.550 1.00 0.00 O ATOM 880 CB VAL A1993 -14.079 -3.719 -2.886 1.00 0.00 C ATOM 881 CG1 VAL A1993 -15.029 -2.990 -3.823 1.00 0.00 C ATOM 882 CG2 VAL A1993 -14.098 -5.195 -3.291 1.00 0.00 C ATOM 0 H VAL A1993 -13.445 -1.380 -2.167 1.00 0.00 H new ATOM 0 HA VAL A1993 -12.065 -3.865 -2.230 1.00 0.00 H new ATOM 0 HB VAL A1993 -14.431 -3.558 -1.867 1.00 0.00 H new ATOM 0 HG11 VAL A1993 -16.019 -3.442 -3.762 1.00 0.00 H new ATOM 0 HG12 VAL A1993 -15.091 -1.941 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A1993 -14.659 -3.064 -4.846 1.00 0.00 H new ATOM 0 HG21 VAL A1993 -15.126 -5.557 -3.298 1.00 0.00 H new ATOM 0 HG22 VAL A1993 -13.668 -5.305 -4.287 1.00 0.00 H new ATOM 0 HG23 VAL A1993 -13.513 -5.776 -2.577 1.00 0.00 H new ATOM 892 N GLU A1994 -12.076 -2.162 -5.054 1.00 0.00 N ATOM 893 CA GLU A1994 -11.461 -2.182 -6.372 1.00 0.00 C ATOM 894 C GLU A1994 -9.948 -1.970 -6.323 1.00 0.00 C ATOM 895 O GLU A1994 -9.220 -2.701 -6.998 1.00 0.00 O ATOM 896 CB GLU A1994 -12.179 -1.218 -7.306 1.00 0.00 C ATOM 897 CG GLU A1994 -12.048 0.255 -6.946 1.00 0.00 C ATOM 898 CD GLU A1994 -12.917 1.147 -7.844 1.00 0.00 C ATOM 899 OE1 GLU A1994 -13.795 0.620 -8.576 1.00 0.00 O ATOM 900 OE2 GLU A1994 -12.733 2.381 -7.782 1.00 0.00 O ATOM 0 H GLU A1994 -12.587 -1.308 -4.828 1.00 0.00 H new ATOM 0 HA GLU A1994 -11.582 -3.183 -6.786 1.00 0.00 H new ATOM 0 HB2 GLU A1994 -11.796 -1.364 -8.316 1.00 0.00 H new ATOM 0 HB3 GLU A1994 -13.237 -1.478 -7.326 1.00 0.00 H new ATOM 0 HG2 GLU A1994 -12.335 0.400 -5.905 1.00 0.00 H new ATOM 0 HG3 GLU A1994 -11.005 0.558 -7.035 1.00 0.00 H new ATOM 907 N TRP A1995 -9.467 -1.025 -5.508 1.00 0.00 N ATOM 908 CA TRP A1995 -8.040 -0.730 -5.362 1.00 0.00 C ATOM 909 C TRP A1995 -7.277 -1.957 -4.894 1.00 0.00 C ATOM 910 O TRP A1995 -6.133 -2.179 -5.298 1.00 0.00 O ATOM 911 CB TRP A1995 -7.845 0.430 -4.396 1.00 0.00 C ATOM 912 CG TRP A1995 -6.442 0.951 -4.294 1.00 0.00 C ATOM 913 CD1 TRP A1995 -5.698 1.434 -5.311 1.00 0.00 C ATOM 914 CD2 TRP A1995 -5.604 1.082 -3.110 1.00 0.00 C ATOM 915 NE1 TRP A1995 -4.478 1.863 -4.830 1.00 0.00 N ATOM 916 CE2 TRP A1995 -4.347 1.646 -3.472 1.00 0.00 C ATOM 917 CE3 TRP A1995 -5.813 0.798 -1.753 1.00 0.00 C ATOM 918 CZ2 TRP A1995 -3.336 1.890 -2.520 1.00 0.00 C ATOM 919 CZ3 TRP A1995 -4.834 1.078 -0.784 1.00 0.00 C ATOM 920 CH2 TRP A1995 -3.591 1.612 -1.167 1.00 0.00 C ATOM 0 H TRP A1995 -10.065 -0.438 -4.926 1.00 0.00 H new ATOM 0 HA TRP A1995 -7.643 -0.444 -6.336 1.00 0.00 H new ATOM 0 HB2 TRP A1995 -8.498 1.248 -4.700 1.00 0.00 H new ATOM 0 HB3 TRP A1995 -8.171 0.114 -3.405 1.00 0.00 H new ATOM 0 HD1 TRP A1995 -6.010 1.478 -6.344 1.00 0.00 H new ATOM 0 HE1 TRP A1995 -3.756 2.291 -5.410 1.00 0.00 H new ATOM 0 HE3 TRP A1995 -6.748 0.354 -1.445 1.00 0.00 H new ATOM 0 HZ2 TRP A1995 -2.379 2.285 -2.827 1.00 0.00 H new ATOM 0 HZ3 TRP A1995 -5.037 0.882 0.258 1.00 0.00 H new ATOM 0 HH2 TRP A1995 -2.834 1.808 -0.422 1.00 0.00 H new ATOM 931 N THR A1996 -7.936 -2.784 -4.078 1.00 0.00 N ATOM 932 CA THR A1996 -7.340 -4.011 -3.573 1.00 0.00 C ATOM 933 C THR A1996 -6.835 -4.890 -4.738 1.00 0.00 C ATOM 934 O THR A1996 -5.843 -5.606 -4.581 1.00 0.00 O ATOM 935 CB THR A1996 -8.367 -4.723 -2.667 1.00 0.00 C ATOM 936 OG1 THR A1996 -7.745 -5.151 -1.473 1.00 0.00 O ATOM 937 CG2 THR A1996 -9.083 -5.921 -3.294 1.00 0.00 C ATOM 0 H THR A1996 -8.889 -2.619 -3.755 1.00 0.00 H new ATOM 0 HA THR A1996 -6.460 -3.791 -2.968 1.00 0.00 H new ATOM 0 HB THR A1996 -9.135 -3.971 -2.485 1.00 0.00 H new ATOM 0 HG1 THR A1996 -8.349 -4.999 -0.717 1.00 0.00 H new ATOM 0 HG21 THR A1996 -9.781 -6.346 -2.573 1.00 0.00 H new ATOM 0 HG22 THR A1996 -9.629 -5.596 -4.179 1.00 0.00 H new ATOM 0 HG23 THR A1996 -8.349 -6.676 -3.577 1.00 0.00 H new ATOM 945 N THR A1997 -7.477 -4.825 -5.910 1.00 0.00 N ATOM 946 CA THR A1997 -7.070 -5.631 -7.053 1.00 0.00 C ATOM 947 C THR A1997 -5.769 -5.108 -7.661 1.00 0.00 C ATOM 948 O THR A1997 -4.901 -5.916 -7.986 1.00 0.00 O ATOM 949 CB THR A1997 -8.196 -5.703 -8.091 1.00 0.00 C ATOM 950 OG1 THR A1997 -9.375 -6.213 -7.491 1.00 0.00 O ATOM 951 CG2 THR A1997 -7.823 -6.623 -9.254 1.00 0.00 C ATOM 0 H THR A1997 -8.280 -4.221 -6.086 1.00 0.00 H new ATOM 0 HA THR A1997 -6.876 -6.646 -6.706 1.00 0.00 H new ATOM 0 HB THR A1997 -8.358 -4.693 -8.466 1.00 0.00 H new ATOM 0 HG1 THR A1997 -10.091 -6.255 -8.159 1.00 0.00 H new ATOM 0 HG21 THR A1997 -8.642 -6.652 -9.972 1.00 0.00 H new ATOM 0 HG22 THR A1997 -6.925 -6.245 -9.743 1.00 0.00 H new ATOM 0 HG23 THR A1997 -7.635 -7.628 -8.877 1.00 0.00 H new ATOM 959 N THR A1998 -5.598 -3.790 -7.785 1.00 0.00 N ATOM 960 CA THR A1998 -4.396 -3.199 -8.365 1.00 0.00 C ATOM 961 C THR A1998 -3.163 -3.692 -7.599 1.00 0.00 C ATOM 962 O THR A1998 -2.156 -4.062 -8.203 1.00 0.00 O ATOM 963 CB THR A1998 -4.538 -1.668 -8.391 1.00 0.00 C ATOM 964 OG1 THR A1998 -5.800 -1.320 -8.937 1.00 0.00 O ATOM 965 CG2 THR A1998 -3.423 -1.029 -9.227 1.00 0.00 C ATOM 0 H THR A1998 -6.291 -3.104 -7.485 1.00 0.00 H new ATOM 0 HA THR A1998 -4.265 -3.515 -9.400 1.00 0.00 H new ATOM 0 HB THR A1998 -4.460 -1.295 -7.370 1.00 0.00 H new ATOM 0 HG1 THR A1998 -5.892 -0.344 -8.952 1.00 0.00 H new ATOM 0 HG21 THR A1998 -3.546 0.054 -9.230 1.00 0.00 H new ATOM 0 HG22 THR A1998 -2.454 -1.283 -8.797 1.00 0.00 H new ATOM 0 HG23 THR A1998 -3.475 -1.403 -10.250 1.00 0.00 H new ATOM 973 N ILE A1999 -3.248 -3.776 -6.270 1.00 0.00 N ATOM 974 CA ILE A1999 -2.177 -4.254 -5.408 1.00 0.00 C ATOM 975 C ILE A1999 -1.842 -5.709 -5.774 1.00 0.00 C ATOM 976 O ILE A1999 -0.664 -6.049 -5.901 1.00 0.00 O ATOM 977 CB ILE A1999 -2.606 -4.114 -3.928 1.00 0.00 C ATOM 978 CG1 ILE A1999 -2.848 -2.637 -3.543 1.00 0.00 C ATOM 979 CG2 ILE A1999 -1.531 -4.705 -3.006 1.00 0.00 C ATOM 980 CD1 ILE A1999 -3.637 -2.431 -2.254 1.00 0.00 C ATOM 0 H ILE A1999 -4.086 -3.506 -5.755 1.00 0.00 H new ATOM 0 HA ILE A1999 -1.277 -3.657 -5.551 1.00 0.00 H new ATOM 0 HB ILE A1999 -3.541 -4.661 -3.807 1.00 0.00 H new ATOM 0 HG12 ILE A1999 -1.883 -2.139 -3.445 1.00 0.00 H new ATOM 0 HG13 ILE A1999 -3.378 -2.146 -4.359 1.00 0.00 H new ATOM 0 HG21 ILE A1999 -1.845 -4.600 -1.967 1.00 0.00 H new ATOM 0 HG22 ILE A1999 -1.393 -5.761 -3.239 1.00 0.00 H new ATOM 0 HG23 ILE A1999 -0.591 -4.174 -3.156 1.00 0.00 H new ATOM 0 HD11 ILE A1999 -3.756 -1.364 -2.067 1.00 0.00 H new ATOM 0 HD12 ILE A1999 -4.619 -2.894 -2.350 1.00 0.00 H new ATOM 0 HD13 ILE A1999 -3.101 -2.887 -1.422 1.00 0.00 H new ATOM 992 N ASN A2000 -2.853 -6.564 -5.953 1.00 0.00 N ATOM 993 CA ASN A2000 -2.661 -7.970 -6.301 1.00 0.00 C ATOM 994 C ASN A2000 -1.955 -8.081 -7.629 1.00 0.00 C ATOM 995 O ASN A2000 -1.026 -8.865 -7.746 1.00 0.00 O ATOM 996 CB ASN A2000 -3.984 -8.731 -6.456 1.00 0.00 C ATOM 997 CG ASN A2000 -4.800 -8.716 -5.197 1.00 0.00 C ATOM 998 OD1 ASN A2000 -4.265 -8.545 -4.113 1.00 0.00 O ATOM 999 ND2 ASN A2000 -6.098 -8.881 -5.314 1.00 0.00 N ATOM 0 H ASN A2000 -3.833 -6.296 -5.859 1.00 0.00 H new ATOM 0 HA ASN A2000 -2.083 -8.402 -5.484 1.00 0.00 H new ATOM 0 HB2 ASN A2000 -4.563 -8.288 -7.267 1.00 0.00 H new ATOM 0 HB3 ASN A2000 -3.776 -9.763 -6.739 1.00 0.00 H new ATOM 0 HD21 ASN A2000 -6.691 -8.868 -4.484 1.00 0.00 H new ATOM 0 HD22 ASN A2000 -6.513 -9.022 -6.235 1.00 0.00 H new ATOM 1006 N GLN A2001 -2.402 -7.312 -8.620 1.00 0.00 N ATOM 1007 CA GLN A2001 -1.815 -7.309 -9.951 1.00 0.00 C ATOM 1008 C GLN A2001 -0.352 -6.886 -9.845 1.00 0.00 C ATOM 1009 O GLN A2001 0.516 -7.491 -10.474 1.00 0.00 O ATOM 1010 CB GLN A2001 -2.584 -6.360 -10.893 1.00 0.00 C ATOM 1011 CG GLN A2001 -4.072 -6.722 -11.061 1.00 0.00 C ATOM 1012 CD GLN A2001 -4.534 -6.712 -12.517 1.00 0.00 C ATOM 1013 OE1 GLN A2001 -4.244 -7.636 -13.276 1.00 0.00 O ATOM 1014 NE2 GLN A2001 -5.289 -5.717 -12.946 1.00 0.00 N ATOM 0 H GLN A2001 -3.188 -6.670 -8.517 1.00 0.00 H new ATOM 0 HA GLN A2001 -1.878 -8.312 -10.372 1.00 0.00 H new ATOM 0 HB2 GLN A2001 -2.508 -5.343 -10.509 1.00 0.00 H new ATOM 0 HB3 GLN A2001 -2.105 -6.368 -11.872 1.00 0.00 H new ATOM 0 HG2 GLN A2001 -4.249 -7.711 -10.638 1.00 0.00 H new ATOM 0 HG3 GLN A2001 -4.677 -6.018 -10.490 1.00 0.00 H new ATOM 0 HE21 GLN A2001 -5.529 -4.951 -12.317 1.00 0.00 H new ATOM 0 HE22 GLN A2001 -5.632 -5.714 -13.907 1.00 0.00 H new ATOM 1023 N THR A2002 -0.079 -5.893 -8.994 1.00 0.00 N ATOM 1024 CA THR A2002 1.249 -5.358 -8.796 1.00 0.00 C ATOM 1025 C THR A2002 2.226 -6.380 -8.197 1.00 0.00 C ATOM 1026 O THR A2002 3.324 -6.560 -8.731 1.00 0.00 O ATOM 1027 CB THR A2002 1.175 -4.068 -7.953 1.00 0.00 C ATOM 1028 OG1 THR A2002 0.295 -3.129 -8.548 1.00 0.00 O ATOM 1029 CG2 THR A2002 2.530 -3.378 -7.777 1.00 0.00 C ATOM 0 H THR A2002 -0.791 -5.440 -8.421 1.00 0.00 H new ATOM 0 HA THR A2002 1.655 -5.113 -9.778 1.00 0.00 H new ATOM 0 HB THR A2002 0.816 -4.386 -6.974 1.00 0.00 H new ATOM 0 HG1 THR A2002 -0.613 -3.271 -8.208 1.00 0.00 H new ATOM 0 HG21 THR A2002 2.405 -2.478 -7.175 1.00 0.00 H new ATOM 0 HG22 THR A2002 3.221 -4.056 -7.277 1.00 0.00 H new ATOM 0 HG23 THR A2002 2.930 -3.107 -8.754 1.00 0.00 H new ATOM 1037 N TYR A2003 1.842 -7.070 -7.119 1.00 0.00 N ATOM 1038 CA TYR A2003 2.699 -8.037 -6.427 1.00 0.00 C ATOM 1039 C TYR A2003 2.427 -9.510 -6.735 1.00 0.00 C ATOM 1040 O TYR A2003 3.094 -10.370 -6.161 1.00 0.00 O ATOM 1041 CB TYR A2003 2.650 -7.716 -4.927 1.00 0.00 C ATOM 1042 CG TYR A2003 3.242 -6.360 -4.618 1.00 0.00 C ATOM 1043 CD1 TYR A2003 4.624 -6.174 -4.786 1.00 0.00 C ATOM 1044 CD2 TYR A2003 2.433 -5.290 -4.191 1.00 0.00 C ATOM 1045 CE1 TYR A2003 5.218 -4.942 -4.477 1.00 0.00 C ATOM 1046 CE2 TYR A2003 3.017 -4.044 -3.893 1.00 0.00 C ATOM 1047 CZ TYR A2003 4.417 -3.875 -4.021 1.00 0.00 C ATOM 1048 OH TYR A2003 5.003 -2.694 -3.704 1.00 0.00 O ATOM 0 H TYR A2003 0.918 -6.972 -6.698 1.00 0.00 H new ATOM 0 HA TYR A2003 3.711 -7.917 -6.814 1.00 0.00 H new ATOM 0 HB2 TYR A2003 1.616 -7.747 -4.583 1.00 0.00 H new ATOM 0 HB3 TYR A2003 3.193 -8.483 -4.374 1.00 0.00 H new ATOM 0 HD1 TYR A2003 5.233 -6.985 -5.156 1.00 0.00 H new ATOM 0 HD2 TYR A2003 1.366 -5.425 -4.092 1.00 0.00 H new ATOM 0 HE1 TYR A2003 6.284 -4.811 -4.588 1.00 0.00 H new ATOM 0 HE2 TYR A2003 2.399 -3.220 -3.568 1.00 0.00 H new ATOM 0 HH TYR A2003 5.804 -2.569 -4.254 1.00 0.00 H new ATOM 1058 N ASN A2004 1.518 -9.801 -7.668 1.00 0.00 N ATOM 1059 CA ASN A2004 1.092 -11.138 -8.092 1.00 0.00 C ATOM 1060 C ASN A2004 0.492 -11.922 -6.912 1.00 0.00 C ATOM 1061 O ASN A2004 0.644 -13.139 -6.815 1.00 0.00 O ATOM 1062 CB ASN A2004 2.254 -11.867 -8.791 1.00 0.00 C ATOM 1063 CG ASN A2004 1.797 -13.051 -9.614 1.00 0.00 C ATOM 1064 OD1 ASN A2004 2.096 -14.206 -9.327 1.00 0.00 O ATOM 1065 ND2 ASN A2004 1.072 -12.801 -10.680 1.00 0.00 N ATOM 0 H ASN A2004 1.030 -9.066 -8.179 1.00 0.00 H new ATOM 0 HA ASN A2004 0.292 -11.051 -8.827 1.00 0.00 H new ATOM 0 HB2 ASN A2004 2.781 -11.164 -9.436 1.00 0.00 H new ATOM 0 HB3 ASN A2004 2.967 -12.207 -8.040 1.00 0.00 H new ATOM 0 HD21 ASN A2004 0.755 -13.568 -11.273 1.00 0.00 H new ATOM 0 HD22 ASN A2004 0.826 -11.840 -10.915 1.00 0.00 H new ATOM 1072 N LEU A2005 -0.165 -11.217 -5.982 1.00 0.00 N ATOM 1073 CA LEU A2005 -0.766 -11.784 -4.774 1.00 0.00 C ATOM 1074 C LEU A2005 -2.280 -11.957 -4.900 1.00 0.00 C ATOM 1075 O LEU A2005 -2.846 -11.913 -5.992 1.00 0.00 O ATOM 1076 CB LEU A2005 -0.371 -10.948 -3.538 1.00 0.00 C ATOM 1077 CG LEU A2005 1.145 -10.751 -3.353 1.00 0.00 C ATOM 1078 CD1 LEU A2005 1.396 -10.026 -2.032 1.00 0.00 C ATOM 1079 CD2 LEU A2005 1.947 -12.057 -3.399 1.00 0.00 C ATOM 0 H LEU A2005 -0.295 -10.208 -6.054 1.00 0.00 H new ATOM 0 HA LEU A2005 -0.367 -12.790 -4.642 1.00 0.00 H new ATOM 0 HB2 LEU A2005 -0.845 -9.969 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A2005 -0.773 -11.430 -2.647 1.00 0.00 H new ATOM 0 HG LEU A2005 1.495 -10.155 -4.196 1.00 0.00 H new ATOM 0 HD11 LEU A2005 2.468 -9.883 -1.894 1.00 0.00 H new ATOM 0 HD12 LEU A2005 0.899 -9.056 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU A2005 1.000 -10.621 -1.209 1.00 0.00 H new ATOM 0 HD21 LEU A2005 3.006 -11.839 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU A2005 1.607 -12.721 -2.604 1.00 0.00 H new ATOM 0 HD23 LEU A2005 1.799 -12.541 -4.364 1.00 0.00 H new ATOM 1091 N ASN A2006 -2.933 -12.240 -3.772 1.00 0.00 N ATOM 1092 CA ASN A2006 -4.368 -12.429 -3.639 1.00 0.00 C ATOM 1093 C ASN A2006 -4.794 -11.702 -2.372 1.00 0.00 C ATOM 1094 O ASN A2006 -4.409 -12.058 -1.259 1.00 0.00 O ATOM 1095 CB ASN A2006 -4.761 -13.915 -3.616 1.00 0.00 C ATOM 1096 CG ASN A2006 -4.305 -14.696 -2.391 1.00 0.00 C ATOM 1097 OD1 ASN A2006 -5.043 -14.857 -1.425 1.00 0.00 O ATOM 1098 ND2 ASN A2006 -3.089 -15.209 -2.404 1.00 0.00 N ATOM 0 H ASN A2006 -2.444 -12.348 -2.883 1.00 0.00 H new ATOM 0 HA ASN A2006 -4.886 -12.018 -4.506 1.00 0.00 H new ATOM 0 HB2 ASN A2006 -5.846 -13.987 -3.687 1.00 0.00 H new ATOM 0 HB3 ASN A2006 -4.351 -14.395 -4.504 1.00 0.00 H new ATOM 0 HD21 ASN A2006 -2.754 -15.746 -1.605 1.00 0.00 H new ATOM 0 HD22 ASN A2006 -2.485 -15.068 -3.214 1.00 0.00 H new ATOM 1105 N LEU A2007 -5.586 -10.650 -2.524 1.00 0.00 N ATOM 1106 CA LEU A2007 -6.102 -9.816 -1.450 1.00 0.00 C ATOM 1107 C LEU A2007 -7.467 -9.340 -1.878 1.00 0.00 C ATOM 1108 O LEU A2007 -7.837 -9.370 -3.054 1.00 0.00 O ATOM 1109 CB LEU A2007 -5.203 -8.590 -1.201 1.00 0.00 C ATOM 1110 CG LEU A2007 -3.695 -8.864 -1.021 1.00 0.00 C ATOM 1111 CD1 LEU A2007 -2.911 -7.562 -1.165 1.00 0.00 C ATOM 1112 CD2 LEU A2007 -3.369 -9.493 0.333 1.00 0.00 C ATOM 0 H LEU A2007 -5.901 -10.341 -3.444 1.00 0.00 H new ATOM 0 HA LEU A2007 -6.137 -10.394 -0.526 1.00 0.00 H new ATOM 0 HB2 LEU A2007 -5.327 -7.901 -2.037 1.00 0.00 H new ATOM 0 HB3 LEU A2007 -5.565 -8.078 -0.310 1.00 0.00 H new ATOM 0 HG LEU A2007 -3.408 -9.574 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A2007 -1.847 -7.762 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A2007 -3.084 -7.140 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A2007 -3.241 -6.853 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A2007 -2.295 -9.664 0.406 1.00 0.00 H new ATOM 0 HD22 LEU A2007 -3.684 -8.821 1.132 1.00 0.00 H new ATOM 0 HD23 LEU A2007 -3.895 -10.443 0.429 1.00 0.00 H new ATOM 1124 N LYS A2008 -8.226 -8.938 -0.875 1.00 0.00 N ATOM 1125 CA LYS A2008 -9.577 -8.453 -0.998 1.00 0.00 C ATOM 1126 C LYS A2008 -9.794 -7.241 -0.136 1.00 0.00 C ATOM 1127 O LYS A2008 -8.931 -6.892 0.667 1.00 0.00 O ATOM 1128 CB LYS A2008 -10.557 -9.577 -0.688 1.00 0.00 C ATOM 1129 CG LYS A2008 -10.147 -10.701 0.264 1.00 0.00 C ATOM 1130 CD LYS A2008 -11.175 -10.863 1.363 1.00 0.00 C ATOM 1131 CE LYS A2008 -12.496 -11.428 0.841 1.00 0.00 C ATOM 1132 NZ LYS A2008 -13.247 -12.125 1.898 1.00 0.00 N ATOM 0 H LYS A2008 -7.896 -8.943 0.090 1.00 0.00 H new ATOM 0 HA LYS A2008 -9.756 -8.134 -2.025 1.00 0.00 H new ATOM 0 HB2 LYS A2008 -11.459 -9.119 -0.282 1.00 0.00 H new ATOM 0 HB3 LYS A2008 -10.833 -10.038 -1.636 1.00 0.00 H new ATOM 0 HG2 LYS A2008 -10.046 -11.635 -0.288 1.00 0.00 H new ATOM 0 HG3 LYS A2008 -9.172 -10.480 0.699 1.00 0.00 H new ATOM 0 HD2 LYS A2008 -10.779 -11.524 2.134 1.00 0.00 H new ATOM 0 HD3 LYS A2008 -11.356 -9.897 1.834 1.00 0.00 H new ATOM 0 HE2 LYS A2008 -13.103 -10.618 0.437 1.00 0.00 H new ATOM 0 HE3 LYS A2008 -12.298 -12.118 0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A2008 -14.137 -12.494 1.506 1.00 0.00 H new ATOM 0 HZ2 LYS A2008 -12.677 -12.913 2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A2008 -13.458 -11.460 2.670 1.00 0.00 H new ATOM 1146 N ALA A2009 -11.009 -6.697 -0.220 1.00 0.00 N ATOM 1147 CA ALA A2009 -11.464 -5.525 0.520 1.00 0.00 C ATOM 1148 C ALA A2009 -11.159 -5.614 2.020 1.00 0.00 C ATOM 1149 O ALA A2009 -11.019 -4.579 2.664 1.00 0.00 O ATOM 1150 CB ALA A2009 -12.962 -5.352 0.322 1.00 0.00 C ATOM 0 H ALA A2009 -11.731 -7.079 -0.831 1.00 0.00 H new ATOM 0 HA ALA A2009 -10.919 -4.666 0.128 1.00 0.00 H new ATOM 0 HB1 ALA A2009 -13.303 -4.477 0.874 1.00 0.00 H new ATOM 0 HB2 ALA A2009 -13.176 -5.218 -0.738 1.00 0.00 H new ATOM 0 HB3 ALA A2009 -13.482 -6.237 0.688 1.00 0.00 H new ATOM 1156 N THR A2010 -11.039 -6.830 2.573 1.00 0.00 N ATOM 1157 CA THR A2010 -10.712 -7.038 3.978 1.00 0.00 C ATOM 1158 C THR A2010 -9.417 -6.287 4.275 1.00 0.00 C ATOM 1159 O THR A2010 -9.316 -5.633 5.304 1.00 0.00 O ATOM 1160 CB THR A2010 -10.569 -8.548 4.273 1.00 0.00 C ATOM 1161 OG1 THR A2010 -10.366 -8.807 5.639 1.00 0.00 O ATOM 1162 CG2 THR A2010 -9.384 -9.236 3.576 1.00 0.00 C ATOM 0 H THR A2010 -11.168 -7.696 2.050 1.00 0.00 H new ATOM 0 HA THR A2010 -11.507 -6.658 4.620 1.00 0.00 H new ATOM 0 HB THR A2010 -11.512 -8.944 3.897 1.00 0.00 H new ATOM 0 HG1 THR A2010 -10.283 -9.773 5.780 1.00 0.00 H new ATOM 0 HG21 THR A2010 -9.367 -10.292 3.844 1.00 0.00 H new ATOM 0 HG22 THR A2010 -9.490 -9.138 2.496 1.00 0.00 H new ATOM 0 HG23 THR A2010 -8.453 -8.766 3.893 1.00 0.00 H new ATOM 1170 N LYS A2011 -8.442 -6.334 3.354 1.00 0.00 N ATOM 1171 CA LYS A2011 -7.173 -5.647 3.568 1.00 0.00 C ATOM 1172 C LYS A2011 -7.368 -4.154 3.789 1.00 0.00 C ATOM 1173 O LYS A2011 -6.777 -3.597 4.705 1.00 0.00 O ATOM 1174 CB LYS A2011 -6.245 -5.871 2.378 1.00 0.00 C ATOM 1175 CG LYS A2011 -5.685 -7.287 2.291 1.00 0.00 C ATOM 1176 CD LYS A2011 -4.913 -7.738 3.536 1.00 0.00 C ATOM 1177 CE LYS A2011 -5.672 -8.787 4.359 1.00 0.00 C ATOM 1178 NZ LYS A2011 -4.874 -9.404 5.448 1.00 0.00 N ATOM 0 H LYS A2011 -8.512 -6.835 2.468 1.00 0.00 H new ATOM 0 HA LYS A2011 -6.724 -6.066 4.469 1.00 0.00 H new ATOM 0 HB2 LYS A2011 -6.788 -5.648 1.459 1.00 0.00 H new ATOM 0 HB3 LYS A2011 -5.416 -5.166 2.438 1.00 0.00 H new ATOM 0 HG2 LYS A2011 -6.508 -7.980 2.117 1.00 0.00 H new ATOM 0 HG3 LYS A2011 -5.025 -7.352 1.426 1.00 0.00 H new ATOM 0 HD2 LYS A2011 -3.950 -8.149 3.232 1.00 0.00 H new ATOM 0 HD3 LYS A2011 -4.706 -6.871 4.163 1.00 0.00 H new ATOM 0 HE2 LYS A2011 -6.557 -8.321 4.792 1.00 0.00 H new ATOM 0 HE3 LYS A2011 -6.021 -9.574 3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A2011 -5.452 -10.112 5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A2011 -4.034 -9.865 5.044 1.00 0.00 H new ATOM 0 HZ3 LYS A2011 -4.576 -8.668 6.120 1.00 0.00 H new ATOM 1192 N LEU A2012 -8.191 -3.508 2.965 1.00 0.00 N ATOM 1193 CA LEU A2012 -8.456 -2.074 3.066 1.00 0.00 C ATOM 1194 C LEU A2012 -9.175 -1.700 4.361 1.00 0.00 C ATOM 1195 O LEU A2012 -9.133 -0.534 4.749 1.00 0.00 O ATOM 1196 CB LEU A2012 -9.273 -1.605 1.841 1.00 0.00 C ATOM 1197 CG LEU A2012 -8.408 -1.046 0.699 1.00 0.00 C ATOM 1198 CD1 LEU A2012 -7.794 0.287 1.156 1.00 0.00 C ATOM 1199 CD2 LEU A2012 -7.347 -2.048 0.224 1.00 0.00 C ATOM 0 H LEU A2012 -8.695 -3.966 2.206 1.00 0.00 H new ATOM 0 HA LEU A2012 -7.493 -1.564 3.083 1.00 0.00 H new ATOM 0 HB2 LEU A2012 -9.860 -2.443 1.464 1.00 0.00 H new ATOM 0 HB3 LEU A2012 -9.980 -0.838 2.159 1.00 0.00 H new ATOM 0 HG LEU A2012 -9.038 -0.868 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A2012 -7.177 0.697 0.356 1.00 0.00 H new ATOM 0 HD12 LEU A2012 -8.591 0.991 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A2012 -7.178 0.120 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A2012 -6.763 -1.605 -0.583 1.00 0.00 H new ATOM 0 HD22 LEU A2012 -6.687 -2.299 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A2012 -7.837 -2.953 -0.137 1.00 0.00 H new ATOM 1211 N TYR A2013 -9.824 -2.663 5.018 1.00 0.00 N ATOM 1212 CA TYR A2013 -10.559 -2.447 6.252 1.00 0.00 C ATOM 1213 C TYR A2013 -9.745 -2.806 7.495 1.00 0.00 C ATOM 1214 O TYR A2013 -9.940 -2.172 8.534 1.00 0.00 O ATOM 1215 CB TYR A2013 -11.861 -3.257 6.170 1.00 0.00 C ATOM 1216 CG TYR A2013 -12.952 -2.849 7.143 1.00 0.00 C ATOM 1217 CD1 TYR A2013 -13.550 -1.579 7.038 1.00 0.00 C ATOM 1218 CD2 TYR A2013 -13.428 -3.765 8.100 1.00 0.00 C ATOM 1219 CE1 TYR A2013 -14.629 -1.227 7.870 1.00 0.00 C ATOM 1220 CE2 TYR A2013 -14.513 -3.424 8.927 1.00 0.00 C ATOM 1221 CZ TYR A2013 -15.113 -2.149 8.825 1.00 0.00 C ATOM 1222 OH TYR A2013 -16.154 -1.828 9.641 1.00 0.00 O ATOM 0 H TYR A2013 -9.850 -3.631 4.696 1.00 0.00 H new ATOM 0 HA TYR A2013 -10.781 -1.385 6.357 1.00 0.00 H new ATOM 0 HB2 TYR A2013 -12.254 -3.176 5.157 1.00 0.00 H new ATOM 0 HB3 TYR A2013 -11.625 -4.308 6.337 1.00 0.00 H new ATOM 0 HD1 TYR A2013 -13.178 -0.870 6.314 1.00 0.00 H new ATOM 0 HD2 TYR A2013 -12.959 -4.733 8.199 1.00 0.00 H new ATOM 0 HE1 TYR A2013 -15.087 -0.253 7.779 1.00 0.00 H new ATOM 0 HE2 TYR A2013 -14.889 -4.140 9.643 1.00 0.00 H new ATOM 0 HH TYR A2013 -16.351 -2.584 10.233 1.00 0.00 H new ATOM 1232 N ASP A2014 -8.853 -3.800 7.418 1.00 0.00 N ATOM 1233 CA ASP A2014 -8.022 -4.243 8.538 1.00 0.00 C ATOM 1234 C ASP A2014 -6.757 -3.404 8.611 1.00 0.00 C ATOM 1235 O ASP A2014 -6.246 -3.156 9.702 1.00 0.00 O ATOM 1236 CB ASP A2014 -7.621 -5.723 8.353 1.00 0.00 C ATOM 1237 CG ASP A2014 -8.090 -6.649 9.481 1.00 0.00 C ATOM 1238 OD1 ASP A2014 -9.111 -6.359 10.148 1.00 0.00 O ATOM 1239 OD2 ASP A2014 -7.475 -7.726 9.660 1.00 0.00 O ATOM 0 H ASP A2014 -8.687 -4.327 6.560 1.00 0.00 H new ATOM 0 HA ASP A2014 -8.597 -4.129 9.457 1.00 0.00 H new ATOM 0 HB2 ASP A2014 -8.030 -6.083 7.409 1.00 0.00 H new ATOM 0 HB3 ASP A2014 -6.536 -5.786 8.274 1.00 0.00 H new ATOM 1244 N TYR A2015 -6.272 -2.948 7.454 1.00 0.00 N ATOM 1245 CA TYR A2015 -5.075 -2.145 7.305 1.00 0.00 C ATOM 1246 C TYR A2015 -5.403 -0.862 6.533 1.00 0.00 C ATOM 1247 O TYR A2015 -4.984 -0.688 5.389 1.00 0.00 O ATOM 1248 CB TYR A2015 -4.014 -2.964 6.588 1.00 0.00 C ATOM 1249 CG TYR A2015 -3.747 -4.365 7.075 1.00 0.00 C ATOM 1250 CD1 TYR A2015 -3.720 -4.693 8.443 1.00 0.00 C ATOM 1251 CD2 TYR A2015 -3.576 -5.364 6.110 1.00 0.00 C ATOM 1252 CE1 TYR A2015 -3.724 -6.049 8.829 1.00 0.00 C ATOM 1253 CE2 TYR A2015 -3.459 -6.700 6.496 1.00 0.00 C ATOM 1254 CZ TYR A2015 -3.621 -7.061 7.845 1.00 0.00 C ATOM 1255 OH TYR A2015 -3.712 -8.386 8.137 1.00 0.00 O ATOM 0 H TYR A2015 -6.728 -3.141 6.563 1.00 0.00 H new ATOM 0 HA TYR A2015 -4.691 -1.858 8.284 1.00 0.00 H new ATOM 0 HB2 TYR A2015 -4.294 -3.025 5.536 1.00 0.00 H new ATOM 0 HB3 TYR A2015 -3.076 -2.410 6.637 1.00 0.00 H new ATOM 0 HD1 TYR A2015 -3.696 -3.914 9.190 1.00 0.00 H new ATOM 0 HD2 TYR A2015 -3.534 -5.100 5.064 1.00 0.00 H new ATOM 0 HE1 TYR A2015 -3.805 -6.315 9.873 1.00 0.00 H new ATOM 0 HE2 TYR A2015 -3.244 -7.458 5.757 1.00 0.00 H new ATOM 0 HH TYR A2015 -3.034 -8.880 7.631 1.00 0.00 H new ATOM 1265 N PRO A2016 -6.147 0.065 7.143 1.00 0.00 N ATOM 1266 CA PRO A2016 -6.527 1.324 6.517 1.00 0.00 C ATOM 1267 C PRO A2016 -5.377 2.332 6.336 1.00 0.00 C ATOM 1268 O PRO A2016 -5.652 3.451 5.911 1.00 0.00 O ATOM 1269 CB PRO A2016 -7.597 1.892 7.443 1.00 0.00 C ATOM 1270 CG PRO A2016 -7.259 1.314 8.813 1.00 0.00 C ATOM 1271 CD PRO A2016 -6.698 -0.052 8.485 1.00 0.00 C ATOM 0 HA PRO A2016 -6.866 1.144 5.497 1.00 0.00 H new ATOM 0 HB2 PRO A2016 -7.574 2.982 7.455 1.00 0.00 H new ATOM 0 HB3 PRO A2016 -8.596 1.597 7.123 1.00 0.00 H new ATOM 0 HG2 PRO A2016 -6.533 1.931 9.342 1.00 0.00 H new ATOM 0 HG3 PRO A2016 -8.141 1.244 9.449 1.00 0.00 H new ATOM 0 HD2 PRO A2016 -5.929 -0.342 9.201 1.00 0.00 H new ATOM 0 HD3 PRO A2016 -7.475 -0.815 8.525 1.00 0.00 H new ATOM 1279 N THR A2017 -4.128 2.009 6.666 1.00 0.00 N ATOM 1280 CA THR A2017 -2.979 2.919 6.526 1.00 0.00 C ATOM 1281 C THR A2017 -1.916 2.324 5.598 1.00 0.00 C ATOM 1282 O THR A2017 -1.937 1.113 5.353 1.00 0.00 O ATOM 1283 CB THR A2017 -2.400 3.275 7.902 1.00 0.00 C ATOM 1284 OG1 THR A2017 -1.887 2.127 8.542 1.00 0.00 O ATOM 1285 CG2 THR A2017 -3.411 3.952 8.818 1.00 0.00 C ATOM 0 H THR A2017 -3.876 1.096 7.044 1.00 0.00 H new ATOM 0 HA THR A2017 -3.326 3.844 6.066 1.00 0.00 H new ATOM 0 HB THR A2017 -1.597 3.988 7.714 1.00 0.00 H new ATOM 0 HG1 THR A2017 -1.521 2.376 9.416 1.00 0.00 H new ATOM 0 HG21 THR A2017 -2.941 4.178 9.775 1.00 0.00 H new ATOM 0 HG22 THR A2017 -3.758 4.877 8.357 1.00 0.00 H new ATOM 0 HG23 THR A2017 -4.259 3.286 8.979 1.00 0.00 H new ATOM 1293 N LEU A2018 -0.968 3.109 5.047 1.00 0.00 N ATOM 1294 CA LEU A2018 0.034 2.524 4.161 1.00 0.00 C ATOM 1295 C LEU A2018 0.944 1.657 4.993 1.00 0.00 C ATOM 1296 O LEU A2018 1.387 0.623 4.507 1.00 0.00 O ATOM 1297 CB LEU A2018 0.875 3.586 3.443 1.00 0.00 C ATOM 1298 CG LEU A2018 0.067 4.586 2.602 1.00 0.00 C ATOM 1299 CD1 LEU A2018 0.989 5.692 2.120 1.00 0.00 C ATOM 1300 CD2 LEU A2018 -0.529 3.928 1.363 1.00 0.00 C ATOM 0 H LEU A2018 -0.883 4.114 5.198 1.00 0.00 H new ATOM 0 HA LEU A2018 -0.484 1.948 3.394 1.00 0.00 H new ATOM 0 HB2 LEU A2018 1.449 4.139 4.187 1.00 0.00 H new ATOM 0 HB3 LEU A2018 1.593 3.084 2.795 1.00 0.00 H new ATOM 0 HG LEU A2018 -0.736 4.969 3.232 1.00 0.00 H new ATOM 0 HD11 LEU A2018 0.421 6.405 1.522 1.00 0.00 H new ATOM 0 HD12 LEU A2018 1.424 6.204 2.979 1.00 0.00 H new ATOM 0 HD13 LEU A2018 1.786 5.263 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A2018 -1.093 4.667 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A2018 0.273 3.527 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A2018 -1.193 3.118 1.665 1.00 0.00 H new ATOM 1312 N LEU A2019 1.228 2.050 6.234 1.00 0.00 N ATOM 1313 CA LEU A2019 2.099 1.289 7.111 1.00 0.00 C ATOM 1314 C LEU A2019 1.509 -0.092 7.400 1.00 0.00 C ATOM 1315 O LEU A2019 2.230 -1.083 7.318 1.00 0.00 O ATOM 1316 CB LEU A2019 2.393 2.082 8.390 1.00 0.00 C ATOM 1317 CG LEU A2019 3.190 3.374 8.156 1.00 0.00 C ATOM 1318 CD1 LEU A2019 3.277 4.190 9.443 1.00 0.00 C ATOM 1319 CD2 LEU A2019 4.589 3.194 7.570 1.00 0.00 C ATOM 0 H LEU A2019 0.859 2.903 6.653 1.00 0.00 H new ATOM 0 HA LEU A2019 3.052 1.123 6.608 1.00 0.00 H new ATOM 0 HB2 LEU A2019 1.449 2.332 8.875 1.00 0.00 H new ATOM 0 HB3 LEU A2019 2.947 1.446 9.080 1.00 0.00 H new ATOM 0 HG LEU A2019 2.623 3.904 7.391 1.00 0.00 H new ATOM 0 HD11 LEU A2019 3.845 5.102 9.258 1.00 0.00 H new ATOM 0 HD12 LEU A2019 2.273 4.450 9.778 1.00 0.00 H new ATOM 0 HD13 LEU A2019 3.775 3.602 10.214 1.00 0.00 H new ATOM 0 HD21 LEU A2019 5.060 4.169 7.447 1.00 0.00 H new ATOM 0 HD22 LEU A2019 5.190 2.583 8.244 1.00 0.00 H new ATOM 0 HD23 LEU A2019 4.517 2.701 6.601 1.00 0.00 H new ATOM 1331 N GLU A2020 0.218 -0.199 7.701 1.00 0.00 N ATOM 1332 CA GLU A2020 -0.395 -1.501 7.976 1.00 0.00 C ATOM 1333 C GLU A2020 -0.566 -2.301 6.686 1.00 0.00 C ATOM 1334 O GLU A2020 -0.259 -3.497 6.656 1.00 0.00 O ATOM 1335 CB GLU A2020 -1.739 -1.342 8.702 1.00 0.00 C ATOM 1336 CG GLU A2020 -1.539 -0.736 10.097 1.00 0.00 C ATOM 1337 CD GLU A2020 -2.111 -1.487 11.297 1.00 0.00 C ATOM 1338 OE1 GLU A2020 -2.600 -2.633 11.177 1.00 0.00 O ATOM 1339 OE2 GLU A2020 -2.035 -0.907 12.409 1.00 0.00 O ATOM 0 H GLU A2020 -0.423 0.592 7.761 1.00 0.00 H new ATOM 0 HA GLU A2020 0.275 -2.053 8.635 1.00 0.00 H new ATOM 0 HB2 GLU A2020 -2.401 -0.704 8.116 1.00 0.00 H new ATOM 0 HB3 GLU A2020 -2.227 -2.313 8.789 1.00 0.00 H new ATOM 0 HG2 GLU A2020 -0.468 -0.617 10.258 1.00 0.00 H new ATOM 0 HG3 GLU A2020 -1.973 0.264 10.092 1.00 0.00 H new ATOM 1346 N LEU A2021 -1.012 -1.650 5.604 1.00 0.00 N ATOM 1347 CA LEU A2021 -1.245 -2.324 4.331 1.00 0.00 C ATOM 1348 C LEU A2021 0.056 -2.886 3.770 1.00 0.00 C ATOM 1349 O LEU A2021 0.053 -3.989 3.220 1.00 0.00 O ATOM 1350 CB LEU A2021 -1.934 -1.361 3.349 1.00 0.00 C ATOM 1351 CG LEU A2021 -2.697 -2.058 2.209 1.00 0.00 C ATOM 1352 CD1 LEU A2021 -4.019 -2.654 2.697 1.00 0.00 C ATOM 1353 CD2 LEU A2021 -3.061 -1.048 1.122 1.00 0.00 C ATOM 0 H LEU A2021 -1.218 -0.651 5.591 1.00 0.00 H new ATOM 0 HA LEU A2021 -1.912 -3.172 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A2021 -2.629 -0.731 3.904 1.00 0.00 H new ATOM 0 HB3 LEU A2021 -1.181 -0.701 2.917 1.00 0.00 H new ATOM 0 HG LEU A2021 -2.041 -2.842 1.832 1.00 0.00 H new ATOM 0 HD11 LEU A2021 -4.529 -3.138 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A2021 -3.821 -3.389 3.477 1.00 0.00 H new ATOM 0 HD13 LEU A2021 -4.650 -1.861 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A2021 -3.600 -1.554 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A2021 -3.691 -0.267 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A2021 -2.151 -0.601 0.721 1.00 0.00 H new ATOM 1365 N SER A2022 1.150 -2.134 3.917 1.00 0.00 N ATOM 1366 CA SER A2022 2.463 -2.529 3.450 1.00 0.00 C ATOM 1367 C SER A2022 3.031 -3.653 4.296 1.00 0.00 C ATOM 1368 O SER A2022 3.549 -4.600 3.713 1.00 0.00 O ATOM 1369 CB SER A2022 3.463 -1.374 3.465 1.00 0.00 C ATOM 1370 OG SER A2022 3.553 -0.748 4.721 1.00 0.00 O ATOM 0 H SER A2022 1.138 -1.221 4.372 1.00 0.00 H new ATOM 0 HA SER A2022 2.322 -2.862 2.422 1.00 0.00 H new ATOM 0 HB2 SER A2022 4.446 -1.747 3.179 1.00 0.00 H new ATOM 0 HB3 SER A2022 3.171 -0.637 2.717 1.00 0.00 H new ATOM 0 HG SER A2022 3.022 0.076 4.715 1.00 0.00 H new ATOM 1376 N GLY A2023 2.869 -3.598 5.625 1.00 0.00 N ATOM 1377 CA GLY A2023 3.397 -4.598 6.540 1.00 0.00 C ATOM 1378 C GLY A2023 2.953 -5.996 6.169 1.00 0.00 C ATOM 1379 O GLY A2023 3.763 -6.920 6.162 1.00 0.00 O ATOM 0 H GLY A2023 2.361 -2.847 6.092 1.00 0.00 H new ATOM 0 HA2 GLY A2023 4.486 -4.551 6.539 1.00 0.00 H new ATOM 0 HA3 GLY A2023 3.069 -4.371 7.554 1.00 0.00 H new ATOM 1383 N TYR A2024 1.691 -6.144 5.777 1.00 0.00 N ATOM 1384 CA TYR A2024 1.156 -7.439 5.409 1.00 0.00 C ATOM 1385 C TYR A2024 1.877 -8.008 4.191 1.00 0.00 C ATOM 1386 O TYR A2024 2.377 -9.134 4.212 1.00 0.00 O ATOM 1387 CB TYR A2024 -0.339 -7.290 5.134 1.00 0.00 C ATOM 1388 CG TYR A2024 -1.038 -8.616 4.961 1.00 0.00 C ATOM 1389 CD1 TYR A2024 -1.094 -9.486 6.057 1.00 0.00 C ATOM 1390 CD2 TYR A2024 -1.614 -8.989 3.736 1.00 0.00 C ATOM 1391 CE1 TYR A2024 -1.736 -10.729 5.955 1.00 0.00 C ATOM 1392 CE2 TYR A2024 -2.265 -10.231 3.622 1.00 0.00 C ATOM 1393 CZ TYR A2024 -2.315 -11.105 4.727 1.00 0.00 C ATOM 1394 OH TYR A2024 -3.021 -12.256 4.631 1.00 0.00 O ATOM 0 H TYR A2024 1.022 -5.377 5.708 1.00 0.00 H new ATOM 0 HA TYR A2024 1.311 -8.140 6.230 1.00 0.00 H new ATOM 0 HB2 TYR A2024 -0.802 -6.745 5.957 1.00 0.00 H new ATOM 0 HB3 TYR A2024 -0.480 -6.690 4.235 1.00 0.00 H new ATOM 0 HD1 TYR A2024 -0.637 -9.196 6.992 1.00 0.00 H new ATOM 0 HD2 TYR A2024 -1.558 -8.326 2.886 1.00 0.00 H new ATOM 0 HE1 TYR A2024 -1.786 -11.390 6.808 1.00 0.00 H new ATOM 0 HE2 TYR A2024 -2.727 -10.515 2.688 1.00 0.00 H new ATOM 0 HH TYR A2024 -3.351 -12.362 3.714 1.00 0.00 H new ATOM 1404 N ILE A2025 1.905 -7.214 3.121 1.00 0.00 N ATOM 1405 CA ILE A2025 2.519 -7.548 1.847 1.00 0.00 C ATOM 1406 C ILE A2025 4.030 -7.755 2.023 1.00 0.00 C ATOM 1407 O ILE A2025 4.589 -8.645 1.385 1.00 0.00 O ATOM 1408 CB ILE A2025 2.195 -6.424 0.832 1.00 0.00 C ATOM 1409 CG1 ILE A2025 0.685 -6.124 0.658 1.00 0.00 C ATOM 1410 CG2 ILE A2025 2.806 -6.759 -0.533 1.00 0.00 C ATOM 1411 CD1 ILE A2025 0.377 -4.842 -0.145 1.00 0.00 C ATOM 0 H ILE A2025 1.483 -6.286 3.123 1.00 0.00 H new ATOM 0 HA ILE A2025 2.116 -8.485 1.463 1.00 0.00 H new ATOM 0 HB ILE A2025 2.637 -5.520 1.251 1.00 0.00 H new ATOM 0 HG12 ILE A2025 0.214 -6.972 0.160 1.00 0.00 H new ATOM 0 HG13 ILE A2025 0.228 -6.039 1.644 1.00 0.00 H new ATOM 0 HG21 ILE A2025 2.573 -5.963 -1.241 1.00 0.00 H new ATOM 0 HG22 ILE A2025 3.888 -6.852 -0.434 1.00 0.00 H new ATOM 0 HG23 ILE A2025 2.392 -7.700 -0.896 1.00 0.00 H new ATOM 0 HD11 ILE A2025 -0.702 -4.709 -0.218 1.00 0.00 H new ATOM 0 HD12 ILE A2025 0.815 -3.982 0.361 1.00 0.00 H new ATOM 0 HD13 ILE A2025 0.801 -4.929 -1.146 1.00 0.00 H new ATOM 1423 N ALA A2026 4.689 -6.964 2.875 1.00 0.00 N ATOM 1424 CA ALA A2026 6.117 -7.042 3.152 1.00 0.00 C ATOM 1425 C ALA A2026 6.459 -8.445 3.633 1.00 0.00 C ATOM 1426 O ALA A2026 7.498 -8.959 3.222 1.00 0.00 O ATOM 1427 CB ALA A2026 6.500 -6.055 4.256 1.00 0.00 C ATOM 0 H ALA A2026 4.223 -6.229 3.406 1.00 0.00 H new ATOM 0 HA ALA A2026 6.661 -6.802 2.239 1.00 0.00 H new ATOM 0 HB1 ALA A2026 7.570 -6.125 4.452 1.00 0.00 H new ATOM 0 HB2 ALA A2026 6.255 -5.041 3.939 1.00 0.00 H new ATOM 0 HB3 ALA A2026 5.949 -6.294 5.165 1.00 0.00 H new ATOM 1433 N GLN A2027 5.631 -9.057 4.500 1.00 0.00 N ATOM 1434 CA GLN A2027 5.938 -10.402 4.975 1.00 0.00 C ATOM 1435 C GLN A2027 5.853 -11.371 3.792 1.00 0.00 C ATOM 1436 O GLN A2027 6.810 -12.081 3.518 1.00 0.00 O ATOM 1437 CB GLN A2027 5.001 -10.848 6.111 1.00 0.00 C ATOM 1438 CG GLN A2027 4.949 -9.941 7.352 1.00 0.00 C ATOM 1439 CD GLN A2027 6.311 -9.698 7.997 1.00 0.00 C ATOM 1440 OE1 GLN A2027 7.030 -10.644 8.299 1.00 0.00 O ATOM 1441 NE2 GLN A2027 6.675 -8.451 8.253 1.00 0.00 N ATOM 0 H GLN A2027 4.772 -8.650 4.871 1.00 0.00 H new ATOM 0 HA GLN A2027 6.946 -10.401 5.389 1.00 0.00 H new ATOM 0 HB2 GLN A2027 3.992 -10.933 5.708 1.00 0.00 H new ATOM 0 HB3 GLN A2027 5.302 -11.846 6.430 1.00 0.00 H new ATOM 0 HG2 GLN A2027 4.514 -8.982 7.071 1.00 0.00 H new ATOM 0 HG3 GLN A2027 4.283 -10.389 8.090 1.00 0.00 H new ATOM 0 HE21 GLN A2027 6.063 -7.678 7.994 1.00 0.00 H new ATOM 0 HE22 GLN A2027 7.568 -8.264 8.709 1.00 0.00 H new ATOM 1450 N ILE A2028 4.756 -11.324 3.023 1.00 0.00 N ATOM 1451 CA ILE A2028 4.541 -12.216 1.886 1.00 0.00 C ATOM 1452 C ILE A2028 5.690 -12.126 0.877 1.00 0.00 C ATOM 1453 O ILE A2028 6.301 -13.134 0.527 1.00 0.00 O ATOM 1454 CB ILE A2028 3.204 -11.876 1.163 1.00 0.00 C ATOM 1455 CG1 ILE A2028 1.972 -11.839 2.091 1.00 0.00 C ATOM 1456 CG2 ILE A2028 2.982 -12.900 0.036 1.00 0.00 C ATOM 1457 CD1 ILE A2028 0.728 -11.205 1.453 1.00 0.00 C ATOM 0 H ILE A2028 3.994 -10.663 3.176 1.00 0.00 H new ATOM 0 HA ILE A2028 4.497 -13.231 2.280 1.00 0.00 H new ATOM 0 HB ILE A2028 3.303 -10.864 0.771 1.00 0.00 H new ATOM 0 HG12 ILE A2028 1.731 -12.857 2.399 1.00 0.00 H new ATOM 0 HG13 ILE A2028 2.227 -11.285 2.994 1.00 0.00 H new ATOM 0 HG21 ILE A2028 2.049 -12.676 -0.481 1.00 0.00 H new ATOM 0 HG22 ILE A2028 3.810 -12.848 -0.671 1.00 0.00 H new ATOM 0 HG23 ILE A2028 2.930 -13.903 0.460 1.00 0.00 H new ATOM 0 HD11 ILE A2028 -0.094 -11.217 2.169 1.00 0.00 H new ATOM 0 HD12 ILE A2028 0.948 -10.176 1.171 1.00 0.00 H new ATOM 0 HD13 ILE A2028 0.445 -11.772 0.566 1.00 0.00 H new ATOM 1469 N LEU A2029 5.993 -10.923 0.411 1.00 0.00 N ATOM 1470 CA LEU A2029 7.030 -10.685 -0.574 1.00 0.00 C ATOM 1471 C LEU A2029 8.410 -11.041 -0.070 1.00 0.00 C ATOM 1472 O LEU A2029 9.178 -11.636 -0.824 1.00 0.00 O ATOM 1473 CB LEU A2029 7.014 -9.219 -0.971 1.00 0.00 C ATOM 1474 CG LEU A2029 5.838 -8.831 -1.885 1.00 0.00 C ATOM 1475 CD1 LEU A2029 5.892 -7.321 -2.084 1.00 0.00 C ATOM 1476 CD2 LEU A2029 5.931 -9.542 -3.241 1.00 0.00 C ATOM 0 H LEU A2029 5.516 -10.074 0.713 1.00 0.00 H new ATOM 0 HA LEU A2029 6.817 -11.328 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A2029 6.976 -8.609 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A2029 7.949 -8.980 -1.478 1.00 0.00 H new ATOM 0 HG LEU A2029 4.897 -9.132 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A2029 5.070 -7.009 -2.729 1.00 0.00 H new ATOM 0 HD12 LEU A2029 5.804 -6.823 -1.118 1.00 0.00 H new ATOM 0 HD13 LEU A2029 6.840 -7.049 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A2029 5.087 -9.248 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A2029 6.862 -9.263 -3.735 1.00 0.00 H new ATOM 0 HD23 LEU A2029 5.911 -10.621 -3.088 1.00 0.00 H new ATOM 1488 N SER A2030 8.759 -10.647 1.155 1.00 0.00 N ATOM 1489 CA SER A2030 10.077 -10.990 1.668 1.00 0.00 C ATOM 1490 C SER A2030 10.206 -12.515 1.744 1.00 0.00 C ATOM 1491 O SER A2030 11.275 -13.046 1.453 1.00 0.00 O ATOM 1492 CB SER A2030 10.380 -10.262 2.983 1.00 0.00 C ATOM 1493 OG SER A2030 9.455 -10.541 4.016 1.00 0.00 O ATOM 0 H SER A2030 8.168 -10.109 1.789 1.00 0.00 H new ATOM 0 HA SER A2030 10.848 -10.638 0.982 1.00 0.00 H new ATOM 0 HB2 SER A2030 11.380 -10.538 3.319 1.00 0.00 H new ATOM 0 HB3 SER A2030 10.391 -9.188 2.799 1.00 0.00 H new ATOM 0 HG SER A2030 8.751 -9.859 4.017 1.00 0.00 H new