USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 613 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2011 LYS NZ :NH3+ 165:sc= 2.78 (180deg=2.14) USER MOD Set 1.2: A2015 TYR OH : rot -134:sc= 0.816 USER MOD Set 2.1: A1964 GLN : amide:sc= 0.568 K(o=2.4,f=1.2) USER MOD Set 2.2: A2002 THR OG1 : rot 82:sc= 1.85 USER MOD Single : A1955 SER OG : rot 180:sc= 0 USER MOD Single : A1958 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.03) USER MOD Single : A1959 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.7) USER MOD Single : A1962 LYS NZ :NH3+ 172:sc= 0.963 (180deg=0.903) USER MOD Single : A1963 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A1970 TYR OH : rot 180:sc= 0 USER MOD Single : A1971 THR OG1 : rot 162:sc= 1.41 USER MOD Single : A1974 SER OG : rot 180:sc= 0 USER MOD Single : A1980 GLN : amide:sc= 0.213 K(o=0.21,f=-7.2!) 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 168:sc= 0.072 USER MOD Single : A1997 THR OG1 : rot 180:sc= 0 USER MOD Single : A1998 THR OG1 : rot 180:sc= 0 USER MOD Single : A2000 ASN : amide:sc= -0.234 K(o=-0.23,f=-6.4!) USER MOD Single : A2001 GLN : amide:sc= -0.0581 X(o=-0.058,f=0) USER MOD Single : A2003 TYR OH : rot 180:sc= -0.148 USER MOD Single : A2004 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.5) USER MOD Single : A2006 ASN : amide:sc= 0 X(o=0,f=-0.0085) 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= -0.0239 USER MOD Single : A2022 SER OG : rot -73:sc= 1.29 USER MOD Single : A2024 TYR OH : rot 180:sc= 0 USER MOD Single : A2027 GLN : amide:sc= 0.7 K(o=0.7,f=0) USER MOD Single : A2030 SER OG : rot -24:sc= 0.00923 USER MOD Single : A2031 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 285 N SER A1955 -7.868 0.516 -5.367 1.00 0.00 N ATOM 286 CA SER A1955 -7.659 1.919 -5.050 1.00 0.00 C ATOM 287 C SER A1955 -7.510 2.145 -3.542 1.00 0.00 C ATOM 288 O SER A1955 -6.685 2.960 -3.134 1.00 0.00 O ATOM 289 CB SER A1955 -8.811 2.694 -5.702 1.00 0.00 C ATOM 290 OG SER A1955 -8.797 4.089 -5.499 1.00 0.00 O ATOM 0 HA SER A1955 -6.716 2.288 -5.453 1.00 0.00 H new ATOM 0 HB2 SER A1955 -8.794 2.501 -6.775 1.00 0.00 H new ATOM 0 HB3 SER A1955 -9.753 2.299 -5.321 1.00 0.00 H new ATOM 0 HG SER A1955 -9.566 4.493 -5.952 1.00 0.00 H new ATOM 296 N GLU A1956 -8.283 1.432 -2.727 1.00 0.00 N ATOM 297 CA GLU A1956 -8.267 1.519 -1.279 1.00 0.00 C ATOM 298 C GLU A1956 -6.889 1.057 -0.807 1.00 0.00 C ATOM 299 O GLU A1956 -6.194 1.772 -0.103 1.00 0.00 O ATOM 300 CB GLU A1956 -9.342 0.613 -0.654 1.00 0.00 C ATOM 301 CG GLU A1956 -10.688 0.620 -1.375 1.00 0.00 C ATOM 302 CD GLU A1956 -11.761 -0.215 -0.682 1.00 0.00 C ATOM 303 OE1 GLU A1956 -11.691 -0.330 0.556 1.00 0.00 O ATOM 304 OE2 GLU A1956 -12.707 -0.688 -1.358 1.00 0.00 O ATOM 0 H GLU A1956 -8.961 0.754 -3.075 1.00 0.00 H new ATOM 0 HA GLU A1956 -8.474 2.545 -0.974 1.00 0.00 H new ATOM 0 HB2 GLU A1956 -8.965 -0.409 -0.629 1.00 0.00 H new ATOM 0 HB3 GLU A1956 -9.499 0.920 0.380 1.00 0.00 H new ATOM 0 HG2 GLU A1956 -11.039 1.648 -1.460 1.00 0.00 H new ATOM 0 HG3 GLU A1956 -10.548 0.246 -2.389 1.00 0.00 H new ATOM 311 N ILE A1957 -6.435 -0.121 -1.245 1.00 0.00 N ATOM 312 CA ILE A1957 -5.135 -0.623 -0.820 1.00 0.00 C ATOM 313 C ILE A1957 -4.043 0.338 -1.253 1.00 0.00 C ATOM 314 O ILE A1957 -3.159 0.670 -0.475 1.00 0.00 O ATOM 315 CB ILE A1957 -4.861 -2.012 -1.423 1.00 0.00 C ATOM 316 CG1 ILE A1957 -5.920 -3.030 -0.964 1.00 0.00 C ATOM 317 CG2 ILE A1957 -3.445 -2.529 -1.085 1.00 0.00 C ATOM 318 CD1 ILE A1957 -6.199 -4.008 -2.102 1.00 0.00 C ATOM 0 H ILE A1957 -6.943 -0.733 -1.884 1.00 0.00 H new ATOM 0 HA ILE A1957 -5.141 -0.707 0.267 1.00 0.00 H new ATOM 0 HB ILE A1957 -4.921 -1.901 -2.506 1.00 0.00 H new ATOM 0 HG12 ILE A1957 -5.568 -3.568 -0.084 1.00 0.00 H new ATOM 0 HG13 ILE A1957 -6.837 -2.515 -0.677 1.00 0.00 H new ATOM 0 HG21 ILE A1957 -3.300 -3.512 -1.533 1.00 0.00 H new ATOM 0 HG22 ILE A1957 -2.701 -1.837 -1.480 1.00 0.00 H new ATOM 0 HG23 ILE A1957 -3.333 -2.603 -0.003 1.00 0.00 H new ATOM 0 HD11 ILE A1957 -6.949 -4.732 -1.784 1.00 0.00 H new ATOM 0 HD12 ILE A1957 -6.568 -3.461 -2.969 1.00 0.00 H new ATOM 0 HD13 ILE A1957 -5.280 -4.530 -2.367 1.00 0.00 H new ATOM 330 N LYS A1958 -4.086 0.775 -2.505 1.00 0.00 N ATOM 331 CA LYS A1958 -3.099 1.661 -3.087 1.00 0.00 C ATOM 332 C LYS A1958 -2.952 2.944 -2.283 1.00 0.00 C ATOM 333 O LYS A1958 -1.828 3.400 -2.056 1.00 0.00 O ATOM 334 CB LYS A1958 -3.534 1.931 -4.525 1.00 0.00 C ATOM 335 CG LYS A1958 -2.526 2.778 -5.307 1.00 0.00 C ATOM 336 CD LYS A1958 -3.102 3.194 -6.659 1.00 0.00 C ATOM 337 CE LYS A1958 -4.353 4.075 -6.459 1.00 0.00 C ATOM 338 NZ LYS A1958 -4.761 4.809 -7.668 1.00 0.00 N ATOM 0 H LYS A1958 -4.827 0.514 -3.155 1.00 0.00 H new ATOM 0 HA LYS A1958 -2.113 1.198 -3.074 1.00 0.00 H new ATOM 0 HB2 LYS A1958 -3.678 0.981 -5.039 1.00 0.00 H new ATOM 0 HB3 LYS A1958 -4.498 2.439 -4.518 1.00 0.00 H new ATOM 0 HG2 LYS A1958 -2.264 3.665 -4.730 1.00 0.00 H new ATOM 0 HG3 LYS A1958 -1.607 2.212 -5.457 1.00 0.00 H new ATOM 0 HD2 LYS A1958 -2.351 3.741 -7.229 1.00 0.00 H new ATOM 0 HD3 LYS A1958 -3.361 2.309 -7.240 1.00 0.00 H new ATOM 0 HE2 LYS A1958 -5.180 3.446 -6.130 1.00 0.00 H new ATOM 0 HE3 LYS A1958 -4.159 4.790 -5.659 1.00 0.00 H new ATOM 0 HZ1 LYS A1958 -5.419 5.570 -7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A1958 -3.922 5.219 -8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A1958 -5.231 4.157 -8.328 1.00 0.00 H new ATOM 352 N GLN A1959 -4.066 3.554 -1.880 1.00 0.00 N ATOM 353 CA GLN A1959 -3.994 4.786 -1.120 1.00 0.00 C ATOM 354 C GLN A1959 -3.473 4.522 0.299 1.00 0.00 C ATOM 355 O GLN A1959 -2.724 5.349 0.816 1.00 0.00 O ATOM 356 CB GLN A1959 -5.341 5.529 -1.160 1.00 0.00 C ATOM 357 CG GLN A1959 -6.382 5.140 -0.101 1.00 0.00 C ATOM 358 CD GLN A1959 -6.126 5.754 1.290 1.00 0.00 C ATOM 359 OE1 GLN A1959 -6.307 5.086 2.297 1.00 0.00 O ATOM 360 NE2 GLN A1959 -5.704 7.007 1.401 1.00 0.00 N ATOM 0 H GLN A1959 -5.011 3.217 -2.066 1.00 0.00 H new ATOM 0 HA GLN A1959 -3.268 5.454 -1.584 1.00 0.00 H new ATOM 0 HB2 GLN A1959 -5.142 6.596 -1.064 1.00 0.00 H new ATOM 0 HB3 GLN A1959 -5.784 5.375 -2.144 1.00 0.00 H new ATOM 0 HG2 GLN A1959 -7.369 5.449 -0.446 1.00 0.00 H new ATOM 0 HG3 GLN A1959 -6.402 4.054 -0.009 1.00 0.00 H new ATOM 0 HE21 GLN A1959 -5.551 7.570 0.564 1.00 0.00 H new ATOM 0 HE22 GLN A1959 -5.532 7.408 2.323 1.00 0.00 H new ATOM 369 N VAL A1960 -3.833 3.386 0.914 1.00 0.00 N ATOM 370 CA VAL A1960 -3.393 3.058 2.264 1.00 0.00 C ATOM 371 C VAL A1960 -1.900 2.817 2.205 1.00 0.00 C ATOM 372 O VAL A1960 -1.172 3.393 3.001 1.00 0.00 O ATOM 373 CB VAL A1960 -4.138 1.835 2.819 1.00 0.00 C ATOM 374 CG1 VAL A1960 -3.578 1.406 4.183 1.00 0.00 C ATOM 375 CG2 VAL A1960 -5.627 2.125 3.006 1.00 0.00 C ATOM 0 H VAL A1960 -4.432 2.679 0.488 1.00 0.00 H new ATOM 0 HA VAL A1960 -3.617 3.880 2.944 1.00 0.00 H new ATOM 0 HB VAL A1960 -3.998 1.039 2.088 1.00 0.00 H new ATOM 0 HG11 VAL A1960 -4.129 0.538 4.546 1.00 0.00 H new ATOM 0 HG12 VAL A1960 -2.524 1.149 4.079 1.00 0.00 H new ATOM 0 HG13 VAL A1960 -3.684 2.226 4.894 1.00 0.00 H new ATOM 0 HG21 VAL A1960 -6.124 1.238 3.400 1.00 0.00 H new ATOM 0 HG22 VAL A1960 -5.752 2.952 3.705 1.00 0.00 H new ATOM 0 HG23 VAL A1960 -6.069 2.392 2.046 1.00 0.00 H new ATOM 385 N LEU A1961 -1.429 2.017 1.242 1.00 0.00 N ATOM 386 CA LEU A1961 -0.019 1.726 1.075 1.00 0.00 C ATOM 387 C LEU A1961 0.732 3.046 1.065 1.00 0.00 C ATOM 388 O LEU A1961 1.731 3.169 1.760 1.00 0.00 O ATOM 389 CB LEU A1961 0.298 1.050 -0.256 1.00 0.00 C ATOM 390 CG LEU A1961 -0.061 -0.413 -0.444 1.00 0.00 C ATOM 391 CD1 LEU A1961 0.366 -0.790 -1.862 1.00 0.00 C ATOM 392 CD2 LEU A1961 0.612 -1.315 0.591 1.00 0.00 C ATOM 0 H LEU A1961 -2.027 1.555 0.557 1.00 0.00 H new ATOM 0 HA LEU A1961 0.269 1.059 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A1961 -0.206 1.615 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A1961 1.370 1.150 -0.429 1.00 0.00 H new ATOM 0 HG LEU A1961 -1.132 -0.555 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A1961 0.128 -1.837 -2.047 1.00 0.00 H new ATOM 0 HD12 LEU A1961 -0.165 -0.165 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A1961 1.440 -0.637 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A1961 0.323 -2.351 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A1961 1.695 -1.221 0.507 1.00 0.00 H new ATOM 0 HD23 LEU A1961 0.299 -1.017 1.592 1.00 0.00 H new ATOM 404 N LYS A1962 0.253 4.024 0.281 1.00 0.00 N ATOM 405 CA LYS A1962 0.878 5.327 0.191 1.00 0.00 C ATOM 406 C LYS A1962 1.046 5.914 1.587 1.00 0.00 C ATOM 407 O LYS A1962 2.141 6.348 1.926 1.00 0.00 O ATOM 408 CB LYS A1962 0.061 6.248 -0.727 1.00 0.00 C ATOM 409 CG LYS A1962 0.959 7.369 -1.249 1.00 0.00 C ATOM 410 CD LYS A1962 0.223 8.427 -2.070 1.00 0.00 C ATOM 411 CE LYS A1962 -0.122 8.003 -3.495 1.00 0.00 C ATOM 412 NZ LYS A1962 -1.448 7.357 -3.609 1.00 0.00 N ATOM 0 H LYS A1962 -0.577 3.922 -0.302 1.00 0.00 H new ATOM 0 HA LYS A1962 1.869 5.228 -0.251 1.00 0.00 H new ATOM 0 HB2 LYS A1962 -0.350 5.678 -1.560 1.00 0.00 H new ATOM 0 HB3 LYS A1962 -0.784 6.668 -0.181 1.00 0.00 H new ATOM 0 HG2 LYS A1962 1.445 7.855 -0.403 1.00 0.00 H new ATOM 0 HG3 LYS A1962 1.748 6.933 -1.862 1.00 0.00 H new ATOM 0 HD2 LYS A1962 -0.698 8.693 -1.552 1.00 0.00 H new ATOM 0 HD3 LYS A1962 0.837 9.327 -2.112 1.00 0.00 H new ATOM 0 HE2 LYS A1962 -0.095 8.879 -4.144 1.00 0.00 H new ATOM 0 HE3 LYS A1962 0.642 7.315 -3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A1962 -1.680 7.216 -4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A1962 -1.428 6.436 -3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A1962 -2.169 7.964 -3.169 1.00 0.00 H new ATOM 426 N GLN A1963 -0.021 5.916 2.386 1.00 0.00 N ATOM 427 CA GLN A1963 -0.014 6.450 3.734 1.00 0.00 C ATOM 428 C GLN A1963 0.961 5.727 4.653 1.00 0.00 C ATOM 429 O GLN A1963 1.635 6.393 5.430 1.00 0.00 O ATOM 430 CB GLN A1963 -1.459 6.441 4.316 1.00 0.00 C ATOM 431 CG GLN A1963 -1.729 5.455 5.480 1.00 0.00 C ATOM 432 CD GLN A1963 -3.145 5.489 6.044 1.00 0.00 C ATOM 433 OE1 GLN A1963 -4.050 4.790 5.585 1.00 0.00 O ATOM 434 NE2 GLN A1963 -3.349 6.248 7.100 1.00 0.00 N ATOM 0 H GLN A1963 -0.926 5.539 2.103 1.00 0.00 H new ATOM 0 HA GLN A1963 0.340 7.479 3.676 1.00 0.00 H new ATOM 0 HB2 GLN A1963 -1.694 7.448 4.660 1.00 0.00 H new ATOM 0 HB3 GLN A1963 -2.152 6.211 3.506 1.00 0.00 H new ATOM 0 HG2 GLN A1963 -1.517 4.443 5.135 1.00 0.00 H new ATOM 0 HG3 GLN A1963 -1.028 5.670 6.287 1.00 0.00 H new ATOM 0 HE21 GLN A1963 -2.591 6.822 7.470 1.00 0.00 H new ATOM 0 HE22 GLN A1963 -4.265 6.262 7.549 1.00 0.00 H new ATOM 443 N GLN A1964 1.015 4.397 4.580 1.00 0.00 N ATOM 444 CA GLN A1964 1.858 3.574 5.439 1.00 0.00 C ATOM 445 C GLN A1964 3.321 3.778 5.113 1.00 0.00 C ATOM 446 O GLN A1964 4.179 3.835 5.987 1.00 0.00 O ATOM 447 CB GLN A1964 1.486 2.088 5.286 1.00 0.00 C ATOM 448 CG GLN A1964 0.010 1.797 5.567 1.00 0.00 C ATOM 449 CD GLN A1964 -0.204 0.487 6.307 1.00 0.00 C ATOM 450 OE1 GLN A1964 -0.433 0.462 7.502 1.00 0.00 O ATOM 451 NE2 GLN A1964 -0.184 -0.644 5.624 1.00 0.00 N ATOM 0 H GLN A1964 0.466 3.856 3.912 1.00 0.00 H new ATOM 0 HA GLN A1964 1.690 3.878 6.472 1.00 0.00 H new ATOM 0 HB2 GLN A1964 1.726 1.764 4.273 1.00 0.00 H new ATOM 0 HB3 GLN A1964 2.101 1.496 5.964 1.00 0.00 H new ATOM 0 HG2 GLN A1964 -0.411 2.613 6.154 1.00 0.00 H new ATOM 0 HG3 GLN A1964 -0.536 1.769 4.624 1.00 0.00 H new ATOM 0 HE21 GLN A1964 0.007 -0.631 4.622 1.00 0.00 H new ATOM 0 HE22 GLN A1964 -0.360 -1.530 6.099 1.00 0.00 H new ATOM 460 N LEU A1965 3.611 3.822 3.818 1.00 0.00 N ATOM 461 CA LEU A1965 4.968 4.003 3.348 1.00 0.00 C ATOM 462 C LEU A1965 5.404 5.433 3.661 1.00 0.00 C ATOM 463 O LEU A1965 6.578 5.645 3.942 1.00 0.00 O ATOM 464 CB LEU A1965 5.060 3.602 1.865 1.00 0.00 C ATOM 465 CG LEU A1965 5.492 4.726 0.925 1.00 0.00 C ATOM 466 CD1 LEU A1965 7.025 4.759 0.875 1.00 0.00 C ATOM 467 CD2 LEU A1965 4.959 4.475 -0.471 1.00 0.00 C ATOM 0 H LEU A1965 2.917 3.734 3.076 1.00 0.00 H new ATOM 0 HA LEU A1965 5.671 3.349 3.863 1.00 0.00 H new ATOM 0 HB2 LEU A1965 5.765 2.776 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A1965 4.087 3.231 1.542 1.00 0.00 H new ATOM 0 HG LEU A1965 5.099 5.675 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A1965 7.350 5.557 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A1965 7.418 4.940 1.875 1.00 0.00 H new ATOM 0 HD13 LEU A1965 7.398 3.803 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A1965 5.274 5.283 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A1965 5.349 3.528 -0.845 1.00 0.00 H new ATOM 0 HD23 LEU A1965 3.870 4.433 -0.443 1.00 0.00 H new ATOM 479 N ALA A1966 4.476 6.400 3.639 1.00 0.00 N ATOM 480 CA ALA A1966 4.811 7.775 3.928 1.00 0.00 C ATOM 481 C ALA A1966 5.430 7.846 5.315 1.00 0.00 C ATOM 482 O ALA A1966 6.492 8.429 5.501 1.00 0.00 O ATOM 483 CB ALA A1966 3.574 8.665 3.833 1.00 0.00 C ATOM 0 H ALA A1966 3.492 6.241 3.423 1.00 0.00 H new ATOM 0 HA ALA A1966 5.529 8.139 3.193 1.00 0.00 H new ATOM 0 HB1 ALA A1966 3.850 9.696 4.054 1.00 0.00 H new ATOM 0 HB2 ALA A1966 3.161 8.608 2.826 1.00 0.00 H new ATOM 0 HB3 ALA A1966 2.827 8.327 4.551 1.00 0.00 H new ATOM 489 N GLU A1967 4.802 7.187 6.283 1.00 0.00 N ATOM 490 CA GLU A1967 5.304 7.179 7.644 1.00 0.00 C ATOM 491 C GLU A1967 6.648 6.470 7.717 1.00 0.00 C ATOM 492 O GLU A1967 7.537 6.909 8.445 1.00 0.00 O ATOM 493 CB GLU A1967 4.288 6.506 8.563 1.00 0.00 C ATOM 494 CG GLU A1967 2.943 7.220 8.444 1.00 0.00 C ATOM 495 CD GLU A1967 2.115 7.172 9.726 1.00 0.00 C ATOM 496 OE1 GLU A1967 2.640 7.603 10.778 1.00 0.00 O ATOM 497 OE2 GLU A1967 0.955 6.691 9.686 1.00 0.00 O ATOM 0 H GLU A1967 3.944 6.652 6.146 1.00 0.00 H new ATOM 0 HA GLU A1967 5.450 8.208 7.973 1.00 0.00 H new ATOM 0 HB2 GLU A1967 4.179 5.455 8.295 1.00 0.00 H new ATOM 0 HB3 GLU A1967 4.638 6.537 9.595 1.00 0.00 H new ATOM 0 HG2 GLU A1967 3.116 8.261 8.171 1.00 0.00 H new ATOM 0 HG3 GLU A1967 2.371 6.768 7.634 1.00 0.00 H new ATOM 504 N ALA A1968 6.796 5.396 6.939 1.00 0.00 N ATOM 505 CA ALA A1968 8.017 4.608 6.879 1.00 0.00 C ATOM 506 C ALA A1968 9.183 5.450 6.361 1.00 0.00 C ATOM 507 O ALA A1968 10.343 5.132 6.640 1.00 0.00 O ATOM 508 CB ALA A1968 7.819 3.392 5.972 1.00 0.00 C ATOM 0 H ALA A1968 6.058 5.049 6.327 1.00 0.00 H new ATOM 0 HA ALA A1968 8.251 4.270 7.889 1.00 0.00 H new ATOM 0 HB1 ALA A1968 8.741 2.811 5.936 1.00 0.00 H new ATOM 0 HB2 ALA A1968 7.014 2.772 6.366 1.00 0.00 H new ATOM 0 HB3 ALA A1968 7.561 3.726 4.967 1.00 0.00 H new ATOM 514 N LEU A1969 8.886 6.508 5.602 1.00 0.00 N ATOM 515 CA LEU A1969 9.852 7.430 5.029 1.00 0.00 C ATOM 516 C LEU A1969 9.811 8.791 5.731 1.00 0.00 C ATOM 517 O LEU A1969 10.357 9.756 5.202 1.00 0.00 O ATOM 518 CB LEU A1969 9.642 7.586 3.514 1.00 0.00 C ATOM 519 CG LEU A1969 9.841 6.309 2.683 1.00 0.00 C ATOM 520 CD1 LEU A1969 9.982 6.689 1.213 1.00 0.00 C ATOM 521 CD2 LEU A1969 11.070 5.496 3.084 1.00 0.00 C ATOM 0 H LEU A1969 7.924 6.750 5.364 1.00 0.00 H new ATOM 0 HA LEU A1969 10.843 7.005 5.188 1.00 0.00 H new ATOM 0 HB2 LEU A1969 8.632 7.957 3.341 1.00 0.00 H new ATOM 0 HB3 LEU A1969 10.329 8.348 3.146 1.00 0.00 H new ATOM 0 HG LEU A1969 8.966 5.685 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A1969 10.124 5.788 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A1969 9.081 7.205 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A1969 10.843 7.346 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A1969 11.142 4.611 2.452 1.00 0.00 H new ATOM 0 HD22 LEU A1969 11.966 6.105 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A1969 10.980 5.192 4.127 1.00 0.00 H new ATOM 533 N TYR A1970 9.180 8.885 6.908 1.00 0.00 N ATOM 534 CA TYR A1970 9.067 10.121 7.678 1.00 0.00 C ATOM 535 C TYR A1970 8.514 11.270 6.819 1.00 0.00 C ATOM 536 O TYR A1970 9.028 12.390 6.860 1.00 0.00 O ATOM 537 CB TYR A1970 10.423 10.433 8.341 1.00 0.00 C ATOM 538 CG TYR A1970 10.811 9.480 9.452 1.00 0.00 C ATOM 539 CD1 TYR A1970 11.484 8.278 9.160 1.00 0.00 C ATOM 540 CD2 TYR A1970 10.501 9.806 10.786 1.00 0.00 C ATOM 541 CE1 TYR A1970 11.825 7.391 10.195 1.00 0.00 C ATOM 542 CE2 TYR A1970 10.844 8.926 11.826 1.00 0.00 C ATOM 543 CZ TYR A1970 11.492 7.708 11.531 1.00 0.00 C ATOM 544 OH TYR A1970 11.771 6.836 12.538 1.00 0.00 O ATOM 0 H TYR A1970 8.727 8.088 7.356 1.00 0.00 H new ATOM 0 HA TYR A1970 8.338 9.995 8.478 1.00 0.00 H new ATOM 0 HB2 TYR A1970 11.200 10.416 7.577 1.00 0.00 H new ATOM 0 HB3 TYR A1970 10.393 11.446 8.742 1.00 0.00 H new ATOM 0 HD1 TYR A1970 11.739 8.037 8.138 1.00 0.00 H new ATOM 0 HD2 TYR A1970 9.998 10.735 11.010 1.00 0.00 H new ATOM 0 HE1 TYR A1970 12.340 6.469 9.970 1.00 0.00 H new ATOM 0 HE2 TYR A1970 10.612 9.181 12.849 1.00 0.00 H new ATOM 0 HH TYR A1970 11.475 7.216 13.391 1.00 0.00 H new ATOM 554 N THR A1971 7.467 11.006 6.034 1.00 0.00 N ATOM 555 CA THR A1971 6.831 11.982 5.155 1.00 0.00 C ATOM 556 C THR A1971 5.311 11.768 5.129 1.00 0.00 C ATOM 557 O THR A1971 4.764 11.037 5.962 1.00 0.00 O ATOM 558 CB THR A1971 7.493 11.910 3.762 1.00 0.00 C ATOM 559 OG1 THR A1971 7.215 13.128 3.102 1.00 0.00 O ATOM 560 CG2 THR A1971 7.007 10.704 2.943 1.00 0.00 C ATOM 0 H THR A1971 7.030 10.085 5.993 1.00 0.00 H new ATOM 0 HA THR A1971 6.980 12.995 5.530 1.00 0.00 H new ATOM 0 HB THR A1971 8.568 11.769 3.874 1.00 0.00 H new ATOM 0 HG1 THR A1971 7.843 13.248 2.359 1.00 0.00 H new ATOM 0 HG21 THR A1971 7.503 10.700 1.972 1.00 0.00 H new ATOM 0 HG22 THR A1971 7.244 9.783 3.476 1.00 0.00 H new ATOM 0 HG23 THR A1971 5.929 10.773 2.799 1.00 0.00 H new ATOM 568 N GLU A1972 4.615 12.433 4.205 1.00 0.00 N ATOM 569 CA GLU A1972 3.180 12.365 3.988 1.00 0.00 C ATOM 570 C GLU A1972 2.887 11.831 2.588 1.00 0.00 C ATOM 571 O GLU A1972 3.619 12.078 1.631 1.00 0.00 O ATOM 572 CB GLU A1972 2.537 13.732 4.246 1.00 0.00 C ATOM 573 CG GLU A1972 2.952 14.806 3.225 1.00 0.00 C ATOM 574 CD GLU A1972 2.455 16.191 3.631 1.00 0.00 C ATOM 575 OE1 GLU A1972 2.626 16.585 4.804 1.00 0.00 O ATOM 576 OE2 GLU A1972 1.891 16.914 2.778 1.00 0.00 O ATOM 0 H GLU A1972 5.071 13.070 3.552 1.00 0.00 H new ATOM 0 HA GLU A1972 2.735 11.668 4.698 1.00 0.00 H new ATOM 0 HB2 GLU A1972 1.452 13.624 4.228 1.00 0.00 H new ATOM 0 HB3 GLU A1972 2.807 14.069 5.247 1.00 0.00 H new ATOM 0 HG2 GLU A1972 4.038 14.821 3.134 1.00 0.00 H new ATOM 0 HG3 GLU A1972 2.553 14.549 2.244 1.00 0.00 H new ATOM 583 N GLU A1973 1.790 11.086 2.455 1.00 0.00 N ATOM 584 CA GLU A1973 1.369 10.511 1.180 1.00 0.00 C ATOM 585 C GLU A1973 1.006 11.586 0.171 1.00 0.00 C ATOM 586 O GLU A1973 1.044 11.336 -1.031 1.00 0.00 O ATOM 587 CB GLU A1973 0.221 9.515 1.377 1.00 0.00 C ATOM 588 CG GLU A1973 -0.865 9.846 2.393 1.00 0.00 C ATOM 589 CD GLU A1973 -1.747 11.020 1.977 1.00 0.00 C ATOM 590 OE1 GLU A1973 -2.645 10.815 1.125 1.00 0.00 O ATOM 591 OE2 GLU A1973 -1.540 12.140 2.502 1.00 0.00 O ATOM 0 H GLU A1973 1.167 10.864 3.232 1.00 0.00 H new ATOM 0 HA GLU A1973 2.218 9.963 0.771 1.00 0.00 H new ATOM 0 HB2 GLU A1973 -0.262 9.372 0.411 1.00 0.00 H new ATOM 0 HB3 GLU A1973 0.658 8.557 1.660 1.00 0.00 H new ATOM 0 HG2 GLU A1973 -1.491 8.967 2.544 1.00 0.00 H new ATOM 0 HG3 GLU A1973 -0.398 10.074 3.351 1.00 0.00 H new ATOM 598 N SER A1974 0.723 12.792 0.647 1.00 0.00 N ATOM 599 CA SER A1974 0.382 13.904 -0.215 1.00 0.00 C ATOM 600 C SER A1974 1.534 14.172 -1.195 1.00 0.00 C ATOM 601 O SER A1974 1.279 14.684 -2.289 1.00 0.00 O ATOM 602 CB SER A1974 0.046 15.142 0.625 1.00 0.00 C ATOM 603 OG SER A1974 -0.666 16.115 -0.120 1.00 0.00 O ATOM 0 H SER A1974 0.725 13.021 1.641 1.00 0.00 H new ATOM 0 HA SER A1974 -0.504 13.657 -0.799 1.00 0.00 H new ATOM 0 HB2 SER A1974 -0.547 14.843 1.490 1.00 0.00 H new ATOM 0 HB3 SER A1974 0.968 15.581 1.007 1.00 0.00 H new ATOM 0 HG SER A1974 -0.862 16.886 0.452 1.00 0.00 H new ATOM 609 N GLU A1975 2.779 13.788 -0.868 1.00 0.00 N ATOM 610 CA GLU A1975 3.926 14.007 -1.749 1.00 0.00 C ATOM 611 C GLU A1975 4.436 12.727 -2.432 1.00 0.00 C ATOM 612 O GLU A1975 5.526 12.748 -3.003 1.00 0.00 O ATOM 613 CB GLU A1975 5.023 14.783 -1.001 1.00 0.00 C ATOM 614 CG GLU A1975 5.792 14.019 0.095 1.00 0.00 C ATOM 615 CD GLU A1975 7.254 14.491 0.264 1.00 0.00 C ATOM 616 OE1 GLU A1975 7.568 15.676 -0.008 1.00 0.00 O ATOM 617 OE2 GLU A1975 8.087 13.637 0.671 1.00 0.00 O ATOM 0 H GLU A1975 3.012 13.321 0.008 1.00 0.00 H new ATOM 0 HA GLU A1975 3.589 14.624 -2.582 1.00 0.00 H new ATOM 0 HB2 GLU A1975 5.745 15.142 -1.734 1.00 0.00 H new ATOM 0 HB3 GLU A1975 4.567 15.662 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A1975 5.269 14.136 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A1975 5.787 12.955 -0.143 1.00 0.00 H new ATOM 624 N ILE A1976 3.680 11.622 -2.414 1.00 0.00 N ATOM 625 CA ILE A1976 4.102 10.349 -3.008 1.00 0.00 C ATOM 626 C ILE A1976 3.313 10.017 -4.277 1.00 0.00 C ATOM 627 O ILE A1976 2.084 10.103 -4.312 1.00 0.00 O ATOM 628 CB ILE A1976 3.980 9.237 -1.941 1.00 0.00 C ATOM 629 CG1 ILE A1976 4.838 9.588 -0.715 1.00 0.00 C ATOM 630 CG2 ILE A1976 4.288 7.824 -2.486 1.00 0.00 C ATOM 631 CD1 ILE A1976 4.684 8.594 0.425 1.00 0.00 C ATOM 0 H ILE A1976 2.755 11.587 -1.985 1.00 0.00 H new ATOM 0 HA ILE A1976 5.143 10.430 -3.322 1.00 0.00 H new ATOM 0 HB ILE A1976 2.935 9.195 -1.635 1.00 0.00 H new ATOM 0 HG12 ILE A1976 5.886 9.631 -1.013 1.00 0.00 H new ATOM 0 HG13 ILE A1976 4.566 10.582 -0.361 1.00 0.00 H new ATOM 0 HG21 ILE A1976 4.183 7.094 -1.684 1.00 0.00 H new ATOM 0 HG22 ILE A1976 3.591 7.584 -3.289 1.00 0.00 H new ATOM 0 HG23 ILE A1976 5.308 7.797 -2.871 1.00 0.00 H new ATOM 0 HD11 ILE A1976 5.315 8.898 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A1976 3.643 8.568 0.747 1.00 0.00 H new ATOM 0 HD13 ILE A1976 4.983 7.602 0.086 1.00 0.00 H new ATOM 643 N ALA A1977 4.037 9.628 -5.330 1.00 0.00 N ATOM 644 CA ALA A1977 3.471 9.236 -6.610 1.00 0.00 C ATOM 645 C ALA A1977 3.135 7.743 -6.542 1.00 0.00 C ATOM 646 O ALA A1977 3.607 7.021 -5.665 1.00 0.00 O ATOM 647 CB ALA A1977 4.452 9.567 -7.735 1.00 0.00 C ATOM 0 H ALA A1977 5.056 9.578 -5.309 1.00 0.00 H new ATOM 0 HA ALA A1977 2.555 9.787 -6.824 1.00 0.00 H new ATOM 0 HB1 ALA A1977 4.022 9.271 -8.692 1.00 0.00 H new ATOM 0 HB2 ALA A1977 4.649 10.639 -7.742 1.00 0.00 H new ATOM 0 HB3 ALA A1977 5.385 9.028 -7.574 1.00 0.00 H new ATOM 653 N GLU A1978 2.345 7.243 -7.489 1.00 0.00 N ATOM 654 CA GLU A1978 1.936 5.836 -7.498 1.00 0.00 C ATOM 655 C GLU A1978 2.833 4.964 -8.352 1.00 0.00 C ATOM 656 O GLU A1978 2.921 3.764 -8.107 1.00 0.00 O ATOM 657 CB GLU A1978 0.460 5.736 -7.896 1.00 0.00 C ATOM 658 CG GLU A1978 -0.380 6.572 -6.930 1.00 0.00 C ATOM 659 CD GLU A1978 -1.878 6.368 -7.085 1.00 0.00 C ATOM 660 OE1 GLU A1978 -2.378 6.058 -8.194 1.00 0.00 O ATOM 661 OE2 GLU A1978 -2.555 6.483 -6.036 1.00 0.00 O ATOM 0 H GLU A1978 1.973 7.792 -8.264 1.00 0.00 H new ATOM 0 HA GLU A1978 2.050 5.442 -6.488 1.00 0.00 H new ATOM 0 HB2 GLU A1978 0.322 6.091 -8.917 1.00 0.00 H new ATOM 0 HB3 GLU A1978 0.135 4.696 -7.873 1.00 0.00 H new ATOM 0 HG2 GLU A1978 -0.093 6.326 -5.908 1.00 0.00 H new ATOM 0 HG3 GLU A1978 -0.149 7.626 -7.081 1.00 0.00 H new ATOM 668 N ASP A1979 3.511 5.588 -9.308 1.00 0.00 N ATOM 669 CA ASP A1979 4.447 4.976 -10.247 1.00 0.00 C ATOM 670 C ASP A1979 5.892 5.272 -9.825 1.00 0.00 C ATOM 671 O ASP A1979 6.840 4.900 -10.516 1.00 0.00 O ATOM 672 CB ASP A1979 4.161 5.519 -11.656 1.00 0.00 C ATOM 673 CG ASP A1979 4.900 4.727 -12.733 1.00 0.00 C ATOM 674 OD1 ASP A1979 4.474 3.584 -13.026 1.00 0.00 O ATOM 675 OD2 ASP A1979 5.895 5.230 -13.295 1.00 0.00 O ATOM 0 H ASP A1979 3.418 6.593 -9.458 1.00 0.00 H new ATOM 0 HA ASP A1979 4.318 3.894 -10.248 1.00 0.00 H new ATOM 0 HB2 ASP A1979 3.089 5.481 -11.849 1.00 0.00 H new ATOM 0 HB3 ASP A1979 4.457 6.567 -11.708 1.00 0.00 H new ATOM 680 N GLN A1980 6.081 6.020 -8.735 1.00 0.00 N ATOM 681 CA GLN A1980 7.410 6.362 -8.240 1.00 0.00 C ATOM 682 C GLN A1980 7.930 5.215 -7.395 1.00 0.00 C ATOM 683 O GLN A1980 7.168 4.532 -6.705 1.00 0.00 O ATOM 684 CB GLN A1980 7.393 7.675 -7.453 1.00 0.00 C ATOM 685 CG GLN A1980 8.710 8.102 -6.783 1.00 0.00 C ATOM 686 CD GLN A1980 9.895 8.310 -7.733 1.00 0.00 C ATOM 687 OE1 GLN A1980 10.217 7.452 -8.554 1.00 0.00 O ATOM 688 NE2 GLN A1980 10.570 9.438 -7.625 1.00 0.00 N ATOM 0 H GLN A1980 5.319 6.402 -8.175 1.00 0.00 H new ATOM 0 HA GLN A1980 8.080 6.516 -9.086 1.00 0.00 H new ATOM 0 HB2 GLN A1980 7.082 8.472 -8.129 1.00 0.00 H new ATOM 0 HB3 GLN A1980 6.629 7.597 -6.680 1.00 0.00 H new ATOM 0 HG2 GLN A1980 8.536 9.030 -6.238 1.00 0.00 H new ATOM 0 HG3 GLN A1980 8.985 7.347 -6.047 1.00 0.00 H new ATOM 0 HE21 GLN A1980 10.288 10.137 -6.938 1.00 0.00 H new ATOM 0 HE22 GLN A1980 11.374 9.611 -8.228 1.00 0.00 H new ATOM 697 N LYS A1981 9.238 5.002 -7.482 1.00 0.00 N ATOM 698 CA LYS A1981 9.910 3.951 -6.757 1.00 0.00 C ATOM 699 C LYS A1981 10.135 4.389 -5.329 1.00 0.00 C ATOM 700 O LYS A1981 10.701 5.456 -5.095 1.00 0.00 O ATOM 701 CB LYS A1981 11.225 3.581 -7.434 1.00 0.00 C ATOM 702 CG LYS A1981 10.873 3.022 -8.810 1.00 0.00 C ATOM 703 CD LYS A1981 11.901 2.022 -9.308 1.00 0.00 C ATOM 704 CE LYS A1981 11.229 1.408 -10.526 1.00 0.00 C ATOM 705 NZ LYS A1981 12.181 0.616 -11.319 1.00 0.00 N ATOM 0 H LYS A1981 9.859 5.563 -8.065 1.00 0.00 H new ATOM 0 HA LYS A1981 9.283 3.060 -6.756 1.00 0.00 H new ATOM 0 HB2 LYS A1981 11.871 4.454 -7.526 1.00 0.00 H new ATOM 0 HB3 LYS A1981 11.768 2.843 -6.845 1.00 0.00 H new ATOM 0 HG2 LYS A1981 9.895 2.542 -8.765 1.00 0.00 H new ATOM 0 HG3 LYS A1981 10.793 3.843 -9.523 1.00 0.00 H new ATOM 0 HD2 LYS A1981 12.841 2.508 -9.569 1.00 0.00 H new ATOM 0 HD3 LYS A1981 12.130 1.270 -8.553 1.00 0.00 H new ATOM 0 HE2 LYS A1981 10.402 0.774 -10.207 1.00 0.00 H new ATOM 0 HE3 LYS A1981 10.804 2.197 -11.146 1.00 0.00 H new ATOM 0 HZ1 LYS A1981 11.693 0.210 -12.143 1.00 0.00 H new ATOM 0 HZ2 LYS A1981 12.957 1.228 -11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A1981 12.567 -0.151 -10.733 1.00 0.00 H new ATOM 719 N PHE A1982 9.777 3.537 -4.376 1.00 0.00 N ATOM 720 CA PHE A1982 9.959 3.833 -2.963 1.00 0.00 C ATOM 721 C PHE A1982 11.432 4.109 -2.664 1.00 0.00 C ATOM 722 O PHE A1982 11.731 4.989 -1.864 1.00 0.00 O ATOM 723 CB PHE A1982 9.472 2.665 -2.104 1.00 0.00 C ATOM 724 CG PHE A1982 8.154 2.066 -2.488 1.00 0.00 C ATOM 725 CD1 PHE A1982 7.035 2.899 -2.557 1.00 0.00 C ATOM 726 CD2 PHE A1982 8.036 0.689 -2.739 1.00 0.00 C ATOM 727 CE1 PHE A1982 5.793 2.348 -2.887 1.00 0.00 C ATOM 728 CE2 PHE A1982 6.784 0.145 -3.067 1.00 0.00 C ATOM 729 CZ PHE A1982 5.656 0.975 -3.143 1.00 0.00 C ATOM 0 H PHE A1982 9.355 2.627 -4.561 1.00 0.00 H new ATOM 0 HA PHE A1982 9.372 4.720 -2.722 1.00 0.00 H new ATOM 0 HB2 PHE A1982 10.227 1.879 -2.134 1.00 0.00 H new ATOM 0 HB3 PHE A1982 9.406 3.004 -1.070 1.00 0.00 H new ATOM 0 HD1 PHE A1982 7.128 3.956 -2.358 1.00 0.00 H new ATOM 0 HD2 PHE A1982 8.905 0.051 -2.680 1.00 0.00 H new ATOM 0 HE1 PHE A1982 4.926 2.989 -2.946 1.00 0.00 H new ATOM 0 HE2 PHE A1982 6.689 -0.913 -3.261 1.00 0.00 H new ATOM 0 HZ PHE A1982 4.691 0.561 -3.396 1.00 0.00 H new ATOM 739 N VAL A1983 12.357 3.365 -3.284 1.00 0.00 N ATOM 740 CA VAL A1983 13.788 3.552 -3.055 1.00 0.00 C ATOM 741 C VAL A1983 14.217 4.980 -3.387 1.00 0.00 C ATOM 742 O VAL A1983 15.073 5.530 -2.699 1.00 0.00 O ATOM 743 CB VAL A1983 14.640 2.536 -3.843 1.00 0.00 C ATOM 744 CG1 VAL A1983 14.432 1.113 -3.322 1.00 0.00 C ATOM 745 CG2 VAL A1983 14.349 2.519 -5.349 1.00 0.00 C ATOM 0 H VAL A1983 12.134 2.626 -3.950 1.00 0.00 H new ATOM 0 HA VAL A1983 13.963 3.374 -1.994 1.00 0.00 H new ATOM 0 HB VAL A1983 15.667 2.867 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A1983 15.046 0.421 -3.898 1.00 0.00 H new ATOM 0 HG12 VAL A1983 14.719 1.065 -2.272 1.00 0.00 H new ATOM 0 HG13 VAL A1983 13.382 0.838 -3.424 1.00 0.00 H new ATOM 0 HG21 VAL A1983 14.987 1.780 -5.834 1.00 0.00 H new ATOM 0 HG22 VAL A1983 13.303 2.261 -5.515 1.00 0.00 H new ATOM 0 HG23 VAL A1983 14.550 3.504 -5.770 1.00 0.00 H new ATOM 755 N ASP A1984 13.621 5.592 -4.413 1.00 0.00 N ATOM 756 CA ASP A1984 13.949 6.949 -4.828 1.00 0.00 C ATOM 757 C ASP A1984 13.562 7.932 -3.735 1.00 0.00 C ATOM 758 O ASP A1984 14.279 8.894 -3.466 1.00 0.00 O ATOM 759 CB ASP A1984 13.225 7.293 -6.132 1.00 0.00 C ATOM 760 CG ASP A1984 13.915 8.478 -6.794 1.00 0.00 C ATOM 761 OD1 ASP A1984 14.986 8.262 -7.408 1.00 0.00 O ATOM 762 OD2 ASP A1984 13.391 9.608 -6.689 1.00 0.00 O ATOM 0 H ASP A1984 12.894 5.154 -4.979 1.00 0.00 H new ATOM 0 HA ASP A1984 15.023 7.017 -4.999 1.00 0.00 H new ATOM 0 HB2 ASP A1984 13.231 6.433 -6.802 1.00 0.00 H new ATOM 0 HB3 ASP A1984 12.181 7.532 -5.929 1.00 0.00 H new ATOM 767 N LEU A1985 12.428 7.664 -3.082 1.00 0.00 N ATOM 768 CA LEU A1985 11.923 8.492 -1.997 1.00 0.00 C ATOM 769 C LEU A1985 12.800 8.292 -0.756 1.00 0.00 C ATOM 770 O LEU A1985 13.042 9.253 -0.029 1.00 0.00 O ATOM 771 CB LEU A1985 10.455 8.157 -1.688 1.00 0.00 C ATOM 772 CG LEU A1985 9.464 8.295 -2.856 1.00 0.00 C ATOM 773 CD1 LEU A1985 8.023 8.215 -2.349 1.00 0.00 C ATOM 774 CD2 LEU A1985 9.649 9.607 -3.616 1.00 0.00 C ATOM 0 H LEU A1985 11.836 6.862 -3.296 1.00 0.00 H new ATOM 0 HA LEU A1985 11.964 9.538 -2.299 1.00 0.00 H new ATOM 0 HB2 LEU A1985 10.408 7.132 -1.319 1.00 0.00 H new ATOM 0 HB3 LEU A1985 10.120 8.804 -0.877 1.00 0.00 H new ATOM 0 HG LEU A1985 9.667 7.470 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A1985 7.336 8.315 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU A1985 7.862 7.254 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU A1985 7.843 9.019 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A1985 8.928 9.660 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A1985 9.492 10.446 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A1985 10.660 9.653 -4.022 1.00 0.00 H new ATOM 786 N GLY A1986 13.333 7.082 -0.542 1.00 0.00 N ATOM 787 CA GLY A1986 14.205 6.746 0.587 1.00 0.00 C ATOM 788 C GLY A1986 13.959 5.367 1.205 1.00 0.00 C ATOM 789 O GLY A1986 14.364 5.119 2.336 1.00 0.00 O ATOM 0 H GLY A1986 13.165 6.292 -1.165 1.00 0.00 H new ATOM 0 HA2 GLY A1986 15.242 6.799 0.255 1.00 0.00 H new ATOM 0 HA3 GLY A1986 14.080 7.503 1.362 1.00 0.00 H new ATOM 793 N LEU A1987 13.246 4.472 0.518 1.00 0.00 N ATOM 794 CA LEU A1987 12.945 3.129 1.012 1.00 0.00 C ATOM 795 C LEU A1987 14.214 2.302 0.961 1.00 0.00 C ATOM 796 O LEU A1987 14.693 1.906 -0.103 1.00 0.00 O ATOM 797 CB LEU A1987 11.816 2.534 0.179 1.00 0.00 C ATOM 798 CG LEU A1987 10.966 1.396 0.761 1.00 0.00 C ATOM 799 CD1 LEU A1987 11.774 0.255 1.351 1.00 0.00 C ATOM 800 CD2 LEU A1987 9.959 1.918 1.792 1.00 0.00 C ATOM 0 H LEU A1987 12.858 4.662 -0.406 1.00 0.00 H new ATOM 0 HA LEU A1987 12.604 3.149 2.047 1.00 0.00 H new ATOM 0 HB2 LEU A1987 11.139 3.347 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU A1987 12.253 2.172 -0.752 1.00 0.00 H new ATOM 0 HG LEU A1987 10.429 0.983 -0.093 1.00 0.00 H new ATOM 0 HD11 LEU A1987 11.098 -0.506 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A1987 12.406 -0.182 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A1987 12.399 0.632 2.160 1.00 0.00 H new ATOM 0 HD21 LEU A1987 9.374 1.086 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A1987 10.493 2.402 2.610 1.00 0.00 H new ATOM 0 HD23 LEU A1987 9.292 2.638 1.317 1.00 0.00 H new ATOM 812 N ASP A1988 14.690 1.957 2.140 1.00 0.00 N ATOM 813 CA ASP A1988 15.906 1.200 2.313 1.00 0.00 C ATOM 814 C ASP A1988 15.608 -0.286 2.360 1.00 0.00 C ATOM 815 O ASP A1988 14.463 -0.731 2.495 1.00 0.00 O ATOM 816 CB ASP A1988 16.518 1.553 3.672 1.00 0.00 C ATOM 817 CG ASP A1988 16.925 3.009 3.827 1.00 0.00 C ATOM 818 OD1 ASP A1988 17.491 3.565 2.857 1.00 0.00 O ATOM 819 OD2 ASP A1988 16.799 3.530 4.956 1.00 0.00 O ATOM 0 H ASP A1988 14.232 2.201 3.018 1.00 0.00 H new ATOM 0 HA ASP A1988 16.572 1.434 1.482 1.00 0.00 H new ATOM 0 HB2 ASP A1988 15.800 1.306 4.454 1.00 0.00 H new ATOM 0 HB3 ASP A1988 17.395 0.926 3.834 1.00 0.00 H new ATOM 824 N SER A1989 16.666 -1.087 2.290 1.00 0.00 N ATOM 825 CA SER A1989 16.530 -2.528 2.364 1.00 0.00 C ATOM 826 C SER A1989 15.972 -2.905 3.745 1.00 0.00 C ATOM 827 O SER A1989 15.256 -3.897 3.871 1.00 0.00 O ATOM 828 CB SER A1989 17.899 -3.152 2.114 1.00 0.00 C ATOM 829 OG SER A1989 17.794 -4.425 1.502 1.00 0.00 O ATOM 0 H SER A1989 17.625 -0.758 2.182 1.00 0.00 H new ATOM 0 HA SER A1989 15.837 -2.903 1.610 1.00 0.00 H new ATOM 0 HB2 SER A1989 18.489 -2.491 1.479 1.00 0.00 H new ATOM 0 HB3 SER A1989 18.433 -3.246 3.059 1.00 0.00 H new ATOM 0 HG SER A1989 18.691 -4.793 1.356 1.00 0.00 H new ATOM 835 N ILE A1990 16.295 -2.097 4.761 1.00 0.00 N ATOM 836 CA ILE A1990 15.874 -2.268 6.136 1.00 0.00 C ATOM 837 C ILE A1990 14.382 -1.927 6.231 1.00 0.00 C ATOM 838 O ILE A1990 13.572 -2.772 6.607 1.00 0.00 O ATOM 839 CB ILE A1990 16.750 -1.388 7.065 1.00 0.00 C ATOM 840 CG1 ILE A1990 18.257 -1.729 6.950 1.00 0.00 C ATOM 841 CG2 ILE A1990 16.316 -1.563 8.530 1.00 0.00 C ATOM 842 CD1 ILE A1990 19.025 -0.895 5.913 1.00 0.00 C ATOM 0 H ILE A1990 16.883 -1.274 4.631 1.00 0.00 H new ATOM 0 HA ILE A1990 16.007 -3.299 6.464 1.00 0.00 H new ATOM 0 HB ILE A1990 16.606 -0.356 6.745 1.00 0.00 H new ATOM 0 HG12 ILE A1990 18.723 -1.590 7.926 1.00 0.00 H new ATOM 0 HG13 ILE A1990 18.359 -2.784 6.696 1.00 0.00 H new ATOM 0 HG21 ILE A1990 16.939 -0.940 9.171 1.00 0.00 H new ATOM 0 HG22 ILE A1990 15.273 -1.266 8.638 1.00 0.00 H new ATOM 0 HG23 ILE A1990 16.428 -2.608 8.820 1.00 0.00 H new ATOM 0 HD11 ILE A1990 20.071 -1.202 5.902 1.00 0.00 H new ATOM 0 HD12 ILE A1990 18.590 -1.052 4.926 1.00 0.00 H new ATOM 0 HD13 ILE A1990 18.960 0.161 6.175 1.00 0.00 H new ATOM 854 N VAL A1991 14.017 -0.697 5.848 1.00 0.00 N ATOM 855 CA VAL A1991 12.648 -0.182 5.873 1.00 0.00 C ATOM 856 C VAL A1991 11.710 -1.129 5.120 1.00 0.00 C ATOM 857 O VAL A1991 10.593 -1.373 5.564 1.00 0.00 O ATOM 858 CB VAL A1991 12.568 1.250 5.292 1.00 0.00 C ATOM 859 CG1 VAL A1991 11.134 1.798 5.328 1.00 0.00 C ATOM 860 CG2 VAL A1991 13.425 2.270 6.041 1.00 0.00 C ATOM 0 H VAL A1991 14.690 -0.013 5.502 1.00 0.00 H new ATOM 0 HA VAL A1991 12.329 -0.129 6.914 1.00 0.00 H new ATOM 0 HB VAL A1991 12.937 1.137 4.273 1.00 0.00 H new ATOM 0 HG11 VAL A1991 11.119 2.805 4.912 1.00 0.00 H new ATOM 0 HG12 VAL A1991 10.483 1.152 4.739 1.00 0.00 H new ATOM 0 HG13 VAL A1991 10.781 1.826 6.359 1.00 0.00 H new ATOM 0 HG21 VAL A1991 13.316 3.249 5.575 1.00 0.00 H new ATOM 0 HG22 VAL A1991 13.100 2.325 7.080 1.00 0.00 H new ATOM 0 HG23 VAL A1991 14.471 1.964 6.003 1.00 0.00 H new ATOM 870 N GLY A1992 12.151 -1.713 4.005 1.00 0.00 N ATOM 871 CA GLY A1992 11.306 -2.609 3.235 1.00 0.00 C ATOM 872 C GLY A1992 10.895 -3.868 3.992 1.00 0.00 C ATOM 873 O GLY A1992 9.796 -4.374 3.775 1.00 0.00 O ATOM 0 H GLY A1992 13.086 -1.578 3.621 1.00 0.00 H new ATOM 0 HA2 GLY A1992 10.409 -2.072 2.927 1.00 0.00 H new ATOM 0 HA3 GLY A1992 11.833 -2.898 2.326 1.00 0.00 H new ATOM 877 N VAL A1993 11.754 -4.395 4.863 1.00 0.00 N ATOM 878 CA VAL A1993 11.474 -5.599 5.638 1.00 0.00 C ATOM 879 C VAL A1993 10.478 -5.291 6.743 1.00 0.00 C ATOM 880 O VAL A1993 9.588 -6.097 7.003 1.00 0.00 O ATOM 881 CB VAL A1993 12.804 -6.114 6.242 1.00 0.00 C ATOM 882 CG1 VAL A1993 12.616 -7.294 7.208 1.00 0.00 C ATOM 883 CG2 VAL A1993 13.801 -6.550 5.164 1.00 0.00 C ATOM 0 H VAL A1993 12.672 -3.993 5.051 1.00 0.00 H new ATOM 0 HA VAL A1993 11.040 -6.363 4.994 1.00 0.00 H new ATOM 0 HB VAL A1993 13.196 -5.260 6.794 1.00 0.00 H new ATOM 0 HG11 VAL A1993 13.586 -7.606 7.595 1.00 0.00 H new ATOM 0 HG12 VAL A1993 11.976 -6.988 8.036 1.00 0.00 H new ATOM 0 HG13 VAL A1993 12.152 -8.127 6.679 1.00 0.00 H new ATOM 0 HG21 VAL A1993 14.717 -6.903 5.637 1.00 0.00 H new ATOM 0 HG22 VAL A1993 13.366 -7.354 4.570 1.00 0.00 H new ATOM 0 HG23 VAL A1993 14.030 -5.704 4.516 1.00 0.00 H new ATOM 893 N GLU A1994 10.610 -4.156 7.410 1.00 0.00 N ATOM 894 CA GLU A1994 9.679 -3.808 8.467 1.00 0.00 C ATOM 895 C GLU A1994 8.347 -3.347 7.862 1.00 0.00 C ATOM 896 O GLU A1994 7.284 -3.728 8.356 1.00 0.00 O ATOM 897 CB GLU A1994 10.316 -2.793 9.414 1.00 0.00 C ATOM 898 CG GLU A1994 10.803 -1.528 8.711 1.00 0.00 C ATOM 899 CD GLU A1994 11.440 -0.560 9.701 1.00 0.00 C ATOM 900 OE1 GLU A1994 12.476 -0.936 10.292 1.00 0.00 O ATOM 901 OE2 GLU A1994 10.919 0.563 9.870 1.00 0.00 O ATOM 0 H GLU A1994 11.344 -3.468 7.240 1.00 0.00 H new ATOM 0 HA GLU A1994 9.449 -4.684 9.074 1.00 0.00 H new ATOM 0 HB2 GLU A1994 9.591 -2.518 10.180 1.00 0.00 H new ATOM 0 HB3 GLU A1994 11.157 -3.262 9.925 1.00 0.00 H new ATOM 0 HG2 GLU A1994 11.526 -1.793 7.940 1.00 0.00 H new ATOM 0 HG3 GLU A1994 9.966 -1.042 8.210 1.00 0.00 H new ATOM 908 N TRP A1995 8.365 -2.589 6.758 1.00 0.00 N ATOM 909 CA TRP A1995 7.144 -2.111 6.125 1.00 0.00 C ATOM 910 C TRP A1995 6.375 -3.283 5.537 1.00 0.00 C ATOM 911 O TRP A1995 5.145 -3.303 5.613 1.00 0.00 O ATOM 912 CB TRP A1995 7.449 -1.061 5.054 1.00 0.00 C ATOM 913 CG TRP A1995 6.230 -0.403 4.477 1.00 0.00 C ATOM 914 CD1 TRP A1995 5.263 0.231 5.177 1.00 0.00 C ATOM 915 CD2 TRP A1995 5.817 -0.321 3.079 1.00 0.00 C ATOM 916 NE1 TRP A1995 4.269 0.646 4.315 1.00 0.00 N ATOM 917 CE2 TRP A1995 4.557 0.340 3.003 1.00 0.00 C ATOM 918 CE3 TRP A1995 6.393 -0.735 1.864 1.00 0.00 C ATOM 919 CZ2 TRP A1995 3.905 0.573 1.779 1.00 0.00 C ATOM 920 CZ3 TRP A1995 5.778 -0.463 0.627 1.00 0.00 C ATOM 921 CH2 TRP A1995 4.540 0.201 0.584 1.00 0.00 C ATOM 0 H TRP A1995 9.221 -2.296 6.287 1.00 0.00 H new ATOM 0 HA TRP A1995 6.525 -1.630 6.883 1.00 0.00 H new ATOM 0 HB2 TRP A1995 8.093 -0.294 5.485 1.00 0.00 H new ATOM 0 HB3 TRP A1995 8.010 -1.533 4.247 1.00 0.00 H new ATOM 0 HD1 TRP A1995 5.268 0.388 6.245 1.00 0.00 H new ATOM 0 HE1 TRP A1995 3.419 1.124 4.614 1.00 0.00 H new ATOM 0 HE3 TRP A1995 7.329 -1.274 1.881 1.00 0.00 H new ATOM 0 HZ2 TRP A1995 2.928 1.032 1.759 1.00 0.00 H new ATOM 0 HZ3 TRP A1995 6.259 -0.765 -0.291 1.00 0.00 H new ATOM 0 HH2 TRP A1995 4.078 0.424 -0.366 1.00 0.00 H new ATOM 932 N THR A1996 7.081 -4.294 5.004 1.00 0.00 N ATOM 933 CA THR A1996 6.369 -5.438 4.447 1.00 0.00 C ATOM 934 C THR A1996 5.505 -6.105 5.530 1.00 0.00 C ATOM 935 O THR A1996 4.492 -6.721 5.201 1.00 0.00 O ATOM 936 CB THR A1996 7.266 -6.422 3.684 1.00 0.00 C ATOM 937 OG1 THR A1996 6.487 -7.096 2.714 1.00 0.00 O ATOM 938 CG2 THR A1996 7.915 -7.467 4.585 1.00 0.00 C ATOM 0 H THR A1996 8.099 -4.338 4.950 1.00 0.00 H new ATOM 0 HA THR A1996 5.700 -5.058 3.675 1.00 0.00 H new ATOM 0 HB THR A1996 8.065 -5.836 3.231 1.00 0.00 H new ATOM 0 HG1 THR A1996 7.077 -7.579 2.099 1.00 0.00 H new ATOM 0 HG21 THR A1996 8.536 -8.131 3.983 1.00 0.00 H new ATOM 0 HG22 THR A1996 8.534 -6.970 5.332 1.00 0.00 H new ATOM 0 HG23 THR A1996 7.140 -8.048 5.085 1.00 0.00 H new ATOM 946 N THR A1997 5.912 -6.020 6.803 1.00 0.00 N ATOM 947 CA THR A1997 5.153 -6.610 7.891 1.00 0.00 C ATOM 948 C THR A1997 3.903 -5.775 8.141 1.00 0.00 C ATOM 949 O THR A1997 2.823 -6.353 8.232 1.00 0.00 O ATOM 950 CB THR A1997 6.034 -6.779 9.137 1.00 0.00 C ATOM 951 OG1 THR A1997 6.957 -7.827 8.900 1.00 0.00 O ATOM 952 CG2 THR A1997 5.198 -7.121 10.367 1.00 0.00 C ATOM 0 H THR A1997 6.766 -5.545 7.096 1.00 0.00 H new ATOM 0 HA THR A1997 4.824 -7.614 7.622 1.00 0.00 H new ATOM 0 HB THR A1997 6.552 -5.839 9.327 1.00 0.00 H new ATOM 0 HG1 THR A1997 7.528 -7.945 9.688 1.00 0.00 H new ATOM 0 HG21 THR A1997 5.852 -7.234 11.232 1.00 0.00 H new ATOM 0 HG22 THR A1997 4.483 -6.320 10.555 1.00 0.00 H new ATOM 0 HG23 THR A1997 4.661 -8.054 10.194 1.00 0.00 H new ATOM 960 N THR A1998 4.008 -4.444 8.204 1.00 0.00 N ATOM 961 CA THR A1998 2.848 -3.587 8.426 1.00 0.00 C ATOM 962 C THR A1998 1.798 -3.895 7.349 1.00 0.00 C ATOM 963 O THR A1998 0.606 -3.950 7.644 1.00 0.00 O ATOM 964 CB THR A1998 3.318 -2.115 8.466 1.00 0.00 C ATOM 965 OG1 THR A1998 3.584 -1.763 9.804 1.00 0.00 O ATOM 966 CG2 THR A1998 2.310 -1.100 7.937 1.00 0.00 C ATOM 0 H THR A1998 4.889 -3.939 8.104 1.00 0.00 H new ATOM 0 HA THR A1998 2.367 -3.778 9.385 1.00 0.00 H new ATOM 0 HB THR A1998 4.192 -2.073 7.816 1.00 0.00 H new ATOM 0 HG1 THR A1998 3.885 -0.831 9.843 1.00 0.00 H new ATOM 0 HG21 THR A1998 2.732 -0.098 8.007 1.00 0.00 H new ATOM 0 HG22 THR A1998 2.080 -1.325 6.896 1.00 0.00 H new ATOM 0 HG23 THR A1998 1.397 -1.151 8.530 1.00 0.00 H new ATOM 974 N ILE A1999 2.222 -4.163 6.112 1.00 0.00 N ATOM 975 CA ILE A1999 1.318 -4.486 5.007 1.00 0.00 C ATOM 976 C ILE A1999 0.563 -5.785 5.327 1.00 0.00 C ATOM 977 O ILE A1999 -0.662 -5.844 5.215 1.00 0.00 O ATOM 978 CB ILE A1999 2.130 -4.595 3.697 1.00 0.00 C ATOM 979 CG1 ILE A1999 2.541 -3.181 3.235 1.00 0.00 C ATOM 980 CG2 ILE A1999 1.312 -5.301 2.605 1.00 0.00 C ATOM 981 CD1 ILE A1999 3.448 -3.190 2.002 1.00 0.00 C ATOM 0 H ILE A1999 3.207 -4.162 5.848 1.00 0.00 H new ATOM 0 HA ILE A1999 0.578 -3.696 4.876 1.00 0.00 H new ATOM 0 HB ILE A1999 3.024 -5.191 3.880 1.00 0.00 H new ATOM 0 HG12 ILE A1999 1.644 -2.603 3.014 1.00 0.00 H new ATOM 0 HG13 ILE A1999 3.054 -2.674 4.052 1.00 0.00 H new ATOM 0 HG21 ILE A1999 1.904 -5.366 1.692 1.00 0.00 H new ATOM 0 HG22 ILE A1999 1.049 -6.305 2.939 1.00 0.00 H new ATOM 0 HG23 ILE A1999 0.402 -4.734 2.408 1.00 0.00 H new ATOM 0 HD11 ILE A1999 3.701 -2.166 1.729 1.00 0.00 H new ATOM 0 HD12 ILE A1999 4.361 -3.741 2.226 1.00 0.00 H new ATOM 0 HD13 ILE A1999 2.929 -3.669 1.172 1.00 0.00 H new ATOM 993 N ASN A2000 1.296 -6.834 5.701 1.00 0.00 N ATOM 994 CA ASN A2000 0.735 -8.140 6.033 1.00 0.00 C ATOM 995 C ASN A2000 -0.254 -8.019 7.156 1.00 0.00 C ATOM 996 O ASN A2000 -1.296 -8.646 7.110 1.00 0.00 O ATOM 997 CB ASN A2000 1.809 -9.103 6.552 1.00 0.00 C ATOM 998 CG ASN A2000 2.796 -9.492 5.492 1.00 0.00 C ATOM 999 OD1 ASN A2000 2.454 -9.582 4.322 1.00 0.00 O ATOM 1000 ND2 ASN A2000 4.036 -9.714 5.874 1.00 0.00 N ATOM 0 H ASN A2000 2.312 -6.798 5.782 1.00 0.00 H new ATOM 0 HA ASN A2000 0.280 -8.511 5.115 1.00 0.00 H new ATOM 0 HB2 ASN A2000 2.339 -8.637 7.383 1.00 0.00 H new ATOM 0 HB3 ASN A2000 1.329 -10.000 6.943 1.00 0.00 H new ATOM 0 HD21 ASN A2000 4.744 -9.969 5.185 1.00 0.00 H new ATOM 0 HD22 ASN A2000 4.289 -9.630 6.859 1.00 0.00 H new ATOM 1007 N GLN A2001 0.094 -7.246 8.170 1.00 0.00 N ATOM 1008 CA GLN A2001 -0.750 -7.035 9.333 1.00 0.00 C ATOM 1009 C GLN A2001 -1.992 -6.233 8.945 1.00 0.00 C ATOM 1010 O GLN A2001 -3.047 -6.439 9.539 1.00 0.00 O ATOM 1011 CB GLN A2001 0.056 -6.364 10.456 1.00 0.00 C ATOM 1012 CG GLN A2001 1.212 -7.271 10.940 1.00 0.00 C ATOM 1013 CD GLN A2001 1.248 -7.506 12.451 1.00 0.00 C ATOM 1014 OE1 GLN A2001 2.301 -7.441 13.083 1.00 0.00 O ATOM 1015 NE2 GLN A2001 0.136 -7.875 13.064 1.00 0.00 N ATOM 0 H GLN A2001 0.980 -6.742 8.209 1.00 0.00 H new ATOM 0 HA GLN A2001 -1.095 -7.996 9.714 1.00 0.00 H new ATOM 0 HB2 GLN A2001 0.460 -5.416 10.100 1.00 0.00 H new ATOM 0 HB3 GLN A2001 -0.604 -6.135 11.293 1.00 0.00 H new ATOM 0 HG2 GLN A2001 1.134 -8.235 10.437 1.00 0.00 H new ATOM 0 HG3 GLN A2001 2.158 -6.826 10.632 1.00 0.00 H new ATOM 0 HE21 GLN A2001 -0.739 -7.930 12.543 1.00 0.00 H new ATOM 0 HE22 GLN A2001 0.154 -8.105 14.058 1.00 0.00 H new ATOM 1024 N THR A2002 -1.898 -5.372 7.931 1.00 0.00 N ATOM 1025 CA THR A2002 -3.012 -4.562 7.485 1.00 0.00 C ATOM 1026 C THR A2002 -4.072 -5.414 6.786 1.00 0.00 C ATOM 1027 O THR A2002 -5.254 -5.222 7.051 1.00 0.00 O ATOM 1028 CB THR A2002 -2.525 -3.444 6.543 1.00 0.00 C ATOM 1029 OG1 THR A2002 -1.599 -2.599 7.186 1.00 0.00 O ATOM 1030 CG2 THR A2002 -3.646 -2.537 6.035 1.00 0.00 C ATOM 0 H THR A2002 -1.040 -5.223 7.400 1.00 0.00 H new ATOM 0 HA THR A2002 -3.467 -4.109 8.366 1.00 0.00 H new ATOM 0 HB THR A2002 -2.078 -3.977 5.704 1.00 0.00 H new ATOM 0 HG1 THR A2002 -0.710 -3.011 7.164 1.00 0.00 H new ATOM 0 HG21 THR A2002 -3.228 -1.775 5.378 1.00 0.00 H new ATOM 0 HG22 THR A2002 -4.374 -3.132 5.483 1.00 0.00 H new ATOM 0 HG23 THR A2002 -4.137 -2.057 6.881 1.00 0.00 H new ATOM 1038 N TYR A2003 -3.667 -6.327 5.896 1.00 0.00 N ATOM 1039 CA TYR A2003 -4.590 -7.172 5.131 1.00 0.00 C ATOM 1040 C TYR A2003 -4.589 -8.650 5.509 1.00 0.00 C ATOM 1041 O TYR A2003 -5.172 -9.460 4.794 1.00 0.00 O ATOM 1042 CB TYR A2003 -4.287 -6.991 3.646 1.00 0.00 C ATOM 1043 CG TYR A2003 -4.262 -5.553 3.206 1.00 0.00 C ATOM 1044 CD1 TYR A2003 -5.462 -4.822 3.165 1.00 0.00 C ATOM 1045 CD2 TYR A2003 -3.028 -4.936 2.932 1.00 0.00 C ATOM 1046 CE1 TYR A2003 -5.440 -3.455 2.861 1.00 0.00 C ATOM 1047 CE2 TYR A2003 -3.003 -3.578 2.593 1.00 0.00 C ATOM 1048 CZ TYR A2003 -4.205 -2.830 2.589 1.00 0.00 C ATOM 1049 OH TYR A2003 -4.168 -1.492 2.367 1.00 0.00 O ATOM 0 H TYR A2003 -2.684 -6.501 5.685 1.00 0.00 H new ATOM 0 HA TYR A2003 -5.598 -6.839 5.379 1.00 0.00 H new ATOM 0 HB2 TYR A2003 -3.323 -7.447 3.423 1.00 0.00 H new ATOM 0 HB3 TYR A2003 -5.036 -7.527 3.063 1.00 0.00 H new ATOM 0 HD1 TYR A2003 -6.401 -5.315 3.368 1.00 0.00 H new ATOM 0 HD2 TYR A2003 -2.110 -5.503 2.983 1.00 0.00 H new ATOM 0 HE1 TYR A2003 -6.358 -2.886 2.835 1.00 0.00 H new ATOM 0 HE2 TYR A2003 -2.069 -3.102 2.335 1.00 0.00 H new ATOM 0 HH TYR A2003 -3.244 -1.214 2.195 1.00 0.00 H new ATOM 1059 N ASN A2004 -3.923 -9.006 6.604 1.00 0.00 N ATOM 1060 CA ASN A2004 -3.786 -10.357 7.132 1.00 0.00 C ATOM 1061 C ASN A2004 -3.188 -11.328 6.109 1.00 0.00 C ATOM 1062 O ASN A2004 -3.804 -12.332 5.758 1.00 0.00 O ATOM 1063 CB ASN A2004 -5.170 -10.783 7.644 1.00 0.00 C ATOM 1064 CG ASN A2004 -5.133 -12.112 8.370 1.00 0.00 C ATOM 1065 OD1 ASN A2004 -4.239 -12.353 9.182 1.00 0.00 O ATOM 1066 ND2 ASN A2004 -6.101 -12.975 8.123 1.00 0.00 N ATOM 0 H ASN A2004 -3.437 -8.318 7.179 1.00 0.00 H new ATOM 0 HA ASN A2004 -3.072 -10.376 7.955 1.00 0.00 H new ATOM 0 HB2 ASN A2004 -5.558 -10.016 8.315 1.00 0.00 H new ATOM 0 HB3 ASN A2004 -5.861 -10.850 6.803 1.00 0.00 H new ATOM 0 HD21 ASN A2004 -6.122 -13.871 8.611 1.00 0.00 H new ATOM 0 HD22 ASN A2004 -6.827 -12.746 7.445 1.00 0.00 H new ATOM 1073 N LEU A2005 -1.965 -11.048 5.649 1.00 0.00 N ATOM 1074 CA LEU A2005 -1.229 -11.807 4.627 1.00 0.00 C ATOM 1075 C LEU A2005 0.169 -12.230 5.078 1.00 0.00 C ATOM 1076 O LEU A2005 0.513 -12.149 6.255 1.00 0.00 O ATOM 1077 CB LEU A2005 -1.053 -10.919 3.373 1.00 0.00 C ATOM 1078 CG LEU A2005 -2.233 -10.019 3.005 1.00 0.00 C ATOM 1079 CD1 LEU A2005 -1.812 -9.091 1.880 1.00 0.00 C ATOM 1080 CD2 LEU A2005 -3.476 -10.806 2.611 1.00 0.00 C ATOM 0 H LEU A2005 -1.434 -10.248 5.994 1.00 0.00 H new ATOM 0 HA LEU A2005 -1.812 -12.706 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A2005 -0.176 -10.289 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A2005 -0.840 -11.567 2.523 1.00 0.00 H new ATOM 0 HG LEU A2005 -2.505 -9.443 3.890 1.00 0.00 H new ATOM 0 HD11 LEU A2005 -2.647 -8.445 1.610 1.00 0.00 H new ATOM 0 HD12 LEU A2005 -0.971 -8.480 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A2005 -1.515 -9.681 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A2005 -4.280 -10.114 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A2005 -3.252 -11.431 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A2005 -3.786 -11.437 3.444 1.00 0.00 H new ATOM 1092 N ASN A2006 0.979 -12.717 4.132 1.00 0.00 N ATOM 1093 CA ASN A2006 2.359 -13.128 4.324 1.00 0.00 C ATOM 1094 C ASN A2006 3.130 -12.669 3.093 1.00 0.00 C ATOM 1095 O ASN A2006 2.921 -13.175 1.987 1.00 0.00 O ATOM 1096 CB ASN A2006 2.540 -14.635 4.504 1.00 0.00 C ATOM 1097 CG ASN A2006 4.028 -14.941 4.357 1.00 0.00 C ATOM 1098 OD1 ASN A2006 4.864 -14.333 5.018 1.00 0.00 O ATOM 1099 ND2 ASN A2006 4.403 -15.782 3.415 1.00 0.00 N ATOM 0 H ASN A2006 0.668 -12.838 3.168 1.00 0.00 H new ATOM 0 HA ASN A2006 2.724 -12.677 5.247 1.00 0.00 H new ATOM 0 HB2 ASN A2006 2.179 -14.950 5.483 1.00 0.00 H new ATOM 0 HB3 ASN A2006 1.961 -15.182 3.760 1.00 0.00 H new ATOM 0 HD21 ASN A2006 5.395 -15.932 3.230 1.00 0.00 H new ATOM 0 HD22 ASN A2006 3.701 -16.283 2.870 1.00 0.00 H new ATOM 1106 N LEU A2007 4.044 -11.731 3.295 1.00 0.00 N ATOM 1107 CA LEU A2007 4.898 -11.131 2.282 1.00 0.00 C ATOM 1108 C LEU A2007 6.224 -10.796 2.932 1.00 0.00 C ATOM 1109 O LEU A2007 6.313 -10.737 4.165 1.00 0.00 O ATOM 1110 CB LEU A2007 4.298 -9.815 1.775 1.00 0.00 C ATOM 1111 CG LEU A2007 2.870 -9.877 1.194 1.00 0.00 C ATOM 1112 CD1 LEU A2007 2.292 -8.463 1.145 1.00 0.00 C ATOM 1113 CD2 LEU A2007 2.843 -10.540 -0.189 1.00 0.00 C ATOM 0 H LEU A2007 4.219 -11.347 4.224 1.00 0.00 H new ATOM 0 HA LEU A2007 5.006 -11.828 1.451 1.00 0.00 H new ATOM 0 HB2 LEU A2007 4.298 -9.102 2.600 1.00 0.00 H new ATOM 0 HB3 LEU A2007 4.960 -9.414 1.007 1.00 0.00 H new ATOM 0 HG LEU A2007 2.253 -10.498 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A2007 1.282 -8.497 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A2007 2.261 -8.047 2.152 1.00 0.00 H new ATOM 0 HD13 LEU A2007 2.919 -7.835 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A2007 1.819 -10.563 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A2007 3.467 -9.970 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU A2007 3.224 -11.558 -0.112 1.00 0.00 H new ATOM 1125 N LYS A2008 7.263 -10.598 2.122 1.00 0.00 N ATOM 1126 CA LYS A2008 8.588 -10.260 2.613 1.00 0.00 C ATOM 1127 C LYS A2008 9.221 -9.162 1.775 1.00 0.00 C ATOM 1128 O LYS A2008 8.603 -8.661 0.838 1.00 0.00 O ATOM 1129 CB LYS A2008 9.438 -11.518 2.776 1.00 0.00 C ATOM 1130 CG LYS A2008 9.983 -12.153 1.491 1.00 0.00 C ATOM 1131 CD LYS A2008 11.503 -12.361 1.469 1.00 0.00 C ATOM 1132 CE LYS A2008 12.049 -12.935 2.780 1.00 0.00 C ATOM 1133 NZ LYS A2008 13.486 -13.245 2.696 1.00 0.00 N ATOM 0 H LYS A2008 7.204 -10.669 1.106 1.00 0.00 H new ATOM 0 HA LYS A2008 8.510 -9.833 3.613 1.00 0.00 H new ATOM 0 HB2 LYS A2008 10.283 -11.276 3.421 1.00 0.00 H new ATOM 0 HB3 LYS A2008 8.842 -12.266 3.299 1.00 0.00 H new ATOM 0 HG2 LYS A2008 9.497 -13.117 1.345 1.00 0.00 H new ATOM 0 HG3 LYS A2008 9.704 -11.524 0.645 1.00 0.00 H new ATOM 0 HD2 LYS A2008 11.760 -13.033 0.650 1.00 0.00 H new ATOM 0 HD3 LYS A2008 11.991 -11.408 1.265 1.00 0.00 H new ATOM 0 HE2 LYS A2008 11.880 -12.221 3.586 1.00 0.00 H new ATOM 0 HE3 LYS A2008 11.498 -13.840 3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A2008 13.812 -13.631 3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A2008 13.647 -13.946 1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A2008 14.016 -12.377 2.478 1.00 0.00 H new ATOM 1147 N ALA A2009 10.484 -8.847 2.072 1.00 0.00 N ATOM 1148 CA ALA A2009 11.273 -7.820 1.399 1.00 0.00 C ATOM 1149 C ALA A2009 11.286 -7.999 -0.114 1.00 0.00 C ATOM 1150 O ALA A2009 11.397 -7.022 -0.847 1.00 0.00 O ATOM 1151 CB ALA A2009 12.704 -7.841 1.925 1.00 0.00 C ATOM 0 H ALA A2009 11.001 -9.318 2.814 1.00 0.00 H new ATOM 0 HA ALA A2009 10.805 -6.859 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A2009 13.289 -7.073 1.419 1.00 0.00 H new ATOM 0 HB2 ALA A2009 12.700 -7.647 2.998 1.00 0.00 H new ATOM 0 HB3 ALA A2009 13.147 -8.818 1.734 1.00 0.00 H new ATOM 1157 N THR A2010 11.137 -9.237 -0.587 1.00 0.00 N ATOM 1158 CA THR A2010 11.105 -9.545 -2.001 1.00 0.00 C ATOM 1159 C THR A2010 10.003 -8.706 -2.669 1.00 0.00 C ATOM 1160 O THR A2010 10.188 -8.283 -3.797 1.00 0.00 O ATOM 1161 CB THR A2010 10.960 -11.069 -2.160 1.00 0.00 C ATOM 1162 OG1 THR A2010 11.621 -11.575 -3.297 1.00 0.00 O ATOM 1163 CG2 THR A2010 9.509 -11.552 -2.138 1.00 0.00 C ATOM 0 H THR A2010 11.035 -10.055 0.013 1.00 0.00 H new ATOM 0 HA THR A2010 12.027 -9.274 -2.515 1.00 0.00 H new ATOM 0 HB THR A2010 11.454 -11.473 -1.276 1.00 0.00 H new ATOM 0 HG1 THR A2010 11.495 -12.546 -3.344 1.00 0.00 H new ATOM 0 HG21 THR A2010 9.484 -12.635 -2.255 1.00 0.00 H new ATOM 0 HG22 THR A2010 9.049 -11.279 -1.188 1.00 0.00 H new ATOM 0 HG23 THR A2010 8.958 -11.086 -2.955 1.00 0.00 H new ATOM 1171 N LYS A2011 8.876 -8.414 -1.992 1.00 0.00 N ATOM 1172 CA LYS A2011 7.804 -7.602 -2.565 1.00 0.00 C ATOM 1173 C LYS A2011 8.305 -6.233 -2.956 1.00 0.00 C ATOM 1174 O LYS A2011 7.968 -5.754 -4.031 1.00 0.00 O ATOM 1175 CB LYS A2011 6.668 -7.377 -1.573 1.00 0.00 C ATOM 1176 CG LYS A2011 5.711 -8.543 -1.444 1.00 0.00 C ATOM 1177 CD LYS A2011 5.039 -8.848 -2.783 1.00 0.00 C ATOM 1178 CE LYS A2011 5.697 -10.071 -3.413 1.00 0.00 C ATOM 1179 NZ LYS A2011 5.055 -10.614 -4.632 1.00 0.00 N ATOM 0 H LYS A2011 8.691 -8.735 -1.042 1.00 0.00 H new ATOM 0 HA LYS A2011 7.449 -8.156 -3.434 1.00 0.00 H new ATOM 0 HB2 LYS A2011 7.095 -7.163 -0.593 1.00 0.00 H new ATOM 0 HB3 LYS A2011 6.106 -6.493 -1.876 1.00 0.00 H new ATOM 0 HG2 LYS A2011 6.250 -9.424 -1.094 1.00 0.00 H new ATOM 0 HG3 LYS A2011 4.952 -8.315 -0.695 1.00 0.00 H new ATOM 0 HD2 LYS A2011 3.974 -9.030 -2.635 1.00 0.00 H new ATOM 0 HD3 LYS A2011 5.126 -7.990 -3.450 1.00 0.00 H new ATOM 0 HE2 LYS A2011 6.729 -9.816 -3.656 1.00 0.00 H new ATOM 0 HE3 LYS A2011 5.732 -10.863 -2.665 1.00 0.00 H new ATOM 0 HZ1 LYS A2011 5.711 -11.265 -5.109 1.00 0.00 H new ATOM 0 HZ2 LYS A2011 4.189 -11.126 -4.369 1.00 0.00 H new ATOM 0 HZ3 LYS A2011 4.814 -9.833 -5.275 1.00 0.00 H new ATOM 1193 N LEU A2012 9.082 -5.606 -2.081 1.00 0.00 N ATOM 1194 CA LEU A2012 9.624 -4.279 -2.334 1.00 0.00 C ATOM 1195 C LEU A2012 10.517 -4.295 -3.579 1.00 0.00 C ATOM 1196 O LEU A2012 10.618 -3.283 -4.269 1.00 0.00 O ATOM 1197 CB LEU A2012 10.355 -3.776 -1.070 1.00 0.00 C ATOM 1198 CG LEU A2012 9.436 -3.095 -0.030 1.00 0.00 C ATOM 1199 CD1 LEU A2012 9.021 -1.720 -0.559 1.00 0.00 C ATOM 1200 CD2 LEU A2012 8.203 -3.930 0.369 1.00 0.00 C ATOM 0 H LEU A2012 9.352 -6.002 -1.181 1.00 0.00 H new ATOM 0 HA LEU A2012 8.818 -3.576 -2.546 1.00 0.00 H new ATOM 0 HB2 LEU A2012 10.858 -4.619 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A2012 11.130 -3.070 -1.370 1.00 0.00 H new ATOM 0 HG LEU A2012 10.013 -2.994 0.889 1.00 0.00 H new ATOM 0 HD11 LEU A2012 8.372 -1.231 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A2012 9.909 -1.109 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A2012 8.486 -1.839 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A2012 7.612 -3.380 1.102 1.00 0.00 H new ATOM 0 HD22 LEU A2012 7.595 -4.126 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A2012 8.529 -4.876 0.802 1.00 0.00 H new ATOM 1212 N TYR A2013 11.152 -5.429 -3.880 1.00 0.00 N ATOM 1213 CA TYR A2013 12.023 -5.615 -5.035 1.00 0.00 C ATOM 1214 C TYR A2013 11.237 -6.105 -6.260 1.00 0.00 C ATOM 1215 O TYR A2013 11.738 -6.029 -7.383 1.00 0.00 O ATOM 1216 CB TYR A2013 13.113 -6.637 -4.671 1.00 0.00 C ATOM 1217 CG TYR A2013 14.524 -6.093 -4.722 1.00 0.00 C ATOM 1218 CD1 TYR A2013 15.116 -5.820 -5.968 1.00 0.00 C ATOM 1219 CD2 TYR A2013 15.255 -5.886 -3.537 1.00 0.00 C ATOM 1220 CE1 TYR A2013 16.440 -5.356 -6.036 1.00 0.00 C ATOM 1221 CE2 TYR A2013 16.586 -5.438 -3.595 1.00 0.00 C ATOM 1222 CZ TYR A2013 17.184 -5.180 -4.849 1.00 0.00 C ATOM 1223 OH TYR A2013 18.479 -4.771 -4.926 1.00 0.00 O ATOM 0 H TYR A2013 11.070 -6.268 -3.306 1.00 0.00 H new ATOM 0 HA TYR A2013 12.471 -4.656 -5.294 1.00 0.00 H new ATOM 0 HB2 TYR A2013 12.919 -7.015 -3.667 1.00 0.00 H new ATOM 0 HB3 TYR A2013 13.039 -7.486 -5.351 1.00 0.00 H new ATOM 0 HD1 TYR A2013 14.550 -5.968 -6.876 1.00 0.00 H new ATOM 0 HD2 TYR A2013 14.791 -6.072 -2.580 1.00 0.00 H new ATOM 0 HE1 TYR A2013 16.888 -5.134 -6.994 1.00 0.00 H new ATOM 0 HE2 TYR A2013 17.149 -5.292 -2.685 1.00 0.00 H new ATOM 0 HH TYR A2013 18.853 -4.696 -4.023 1.00 0.00 H new ATOM 1233 N ASP A2014 10.023 -6.625 -6.067 1.00 0.00 N ATOM 1234 CA ASP A2014 9.160 -7.141 -7.113 1.00 0.00 C ATOM 1235 C ASP A2014 8.260 -6.028 -7.628 1.00 0.00 C ATOM 1236 O ASP A2014 7.987 -5.971 -8.824 1.00 0.00 O ATOM 1237 CB ASP A2014 8.319 -8.305 -6.551 1.00 0.00 C ATOM 1238 CG ASP A2014 8.852 -9.636 -7.068 1.00 0.00 C ATOM 1239 OD1 ASP A2014 8.689 -9.901 -8.279 1.00 0.00 O ATOM 1240 OD2 ASP A2014 9.490 -10.385 -6.294 1.00 0.00 O ATOM 0 H ASP A2014 9.605 -6.698 -5.139 1.00 0.00 H new ATOM 0 HA ASP A2014 9.762 -7.510 -7.943 1.00 0.00 H new ATOM 0 HB2 ASP A2014 8.348 -8.292 -5.461 1.00 0.00 H new ATOM 0 HB3 ASP A2014 7.276 -8.184 -6.843 1.00 0.00 H new ATOM 1245 N TYR A2015 7.830 -5.121 -6.750 1.00 0.00 N ATOM 1246 CA TYR A2015 6.959 -4.003 -7.060 1.00 0.00 C ATOM 1247 C TYR A2015 7.470 -2.774 -6.291 1.00 0.00 C ATOM 1248 O TYR A2015 7.015 -2.504 -5.180 1.00 0.00 O ATOM 1249 CB TYR A2015 5.506 -4.350 -6.685 1.00 0.00 C ATOM 1250 CG TYR A2015 5.052 -5.781 -6.885 1.00 0.00 C ATOM 1251 CD1 TYR A2015 5.079 -6.397 -8.150 1.00 0.00 C ATOM 1252 CD2 TYR A2015 4.621 -6.510 -5.769 1.00 0.00 C ATOM 1253 CE1 TYR A2015 4.710 -7.748 -8.296 1.00 0.00 C ATOM 1254 CE2 TYR A2015 4.179 -7.824 -5.922 1.00 0.00 C ATOM 1255 CZ TYR A2015 4.248 -8.461 -7.170 1.00 0.00 C ATOM 1256 OH TYR A2015 3.932 -9.781 -7.197 1.00 0.00 O ATOM 0 H TYR A2015 8.094 -5.153 -5.765 1.00 0.00 H new ATOM 0 HA TYR A2015 6.971 -3.784 -8.128 1.00 0.00 H new ATOM 0 HB2 TYR A2015 5.360 -4.095 -5.635 1.00 0.00 H new ATOM 0 HB3 TYR A2015 4.846 -3.704 -7.265 1.00 0.00 H new ATOM 0 HD1 TYR A2015 5.385 -5.829 -9.016 1.00 0.00 H new ATOM 0 HD2 TYR A2015 4.631 -6.054 -4.790 1.00 0.00 H new ATOM 0 HE1 TYR A2015 4.780 -8.233 -9.259 1.00 0.00 H new ATOM 0 HE2 TYR A2015 3.780 -8.356 -5.071 1.00 0.00 H new ATOM 0 HH TYR A2015 3.073 -9.921 -6.746 1.00 0.00 H new ATOM 1266 N PRO A2016 8.428 -2.011 -6.833 1.00 0.00 N ATOM 1267 CA PRO A2016 8.950 -0.824 -6.164 1.00 0.00 C ATOM 1268 C PRO A2016 7.945 0.344 -6.164 1.00 0.00 C ATOM 1269 O PRO A2016 8.284 1.388 -5.610 1.00 0.00 O ATOM 1270 CB PRO A2016 10.237 -0.490 -6.922 1.00 0.00 C ATOM 1271 CG PRO A2016 9.921 -0.956 -8.340 1.00 0.00 C ATOM 1272 CD PRO A2016 9.077 -2.207 -8.121 1.00 0.00 C ATOM 0 HA PRO A2016 9.138 -1.005 -5.106 1.00 0.00 H new ATOM 0 HB2 PRO A2016 10.463 0.576 -6.887 1.00 0.00 H new ATOM 0 HB3 PRO A2016 11.099 -1.012 -6.507 1.00 0.00 H new ATOM 0 HG2 PRO A2016 9.376 -0.197 -8.900 1.00 0.00 H new ATOM 0 HG3 PRO A2016 10.828 -1.177 -8.902 1.00 0.00 H new ATOM 0 HD2 PRO A2016 8.343 -2.330 -8.917 1.00 0.00 H new ATOM 0 HD3 PRO A2016 9.696 -3.104 -8.117 1.00 0.00 H new ATOM 1280 N THR A2017 6.752 0.225 -6.763 1.00 0.00 N ATOM 1281 CA THR A2017 5.731 1.269 -6.795 1.00 0.00 C ATOM 1282 C THR A2017 4.430 0.690 -6.237 1.00 0.00 C ATOM 1283 O THR A2017 4.211 -0.522 -6.204 1.00 0.00 O ATOM 1284 CB THR A2017 5.533 1.838 -8.210 1.00 0.00 C ATOM 1285 OG1 THR A2017 4.668 1.015 -8.966 1.00 0.00 O ATOM 1286 CG2 THR A2017 6.820 2.036 -9.000 1.00 0.00 C ATOM 0 H THR A2017 6.468 -0.625 -7.250 1.00 0.00 H new ATOM 0 HA THR A2017 6.056 2.107 -6.178 1.00 0.00 H new ATOM 0 HB THR A2017 5.099 2.825 -8.050 1.00 0.00 H new ATOM 0 HG1 THR A2017 4.554 1.396 -9.862 1.00 0.00 H new ATOM 0 HG21 THR A2017 6.584 2.440 -9.984 1.00 0.00 H new ATOM 0 HG22 THR A2017 7.470 2.731 -8.468 1.00 0.00 H new ATOM 0 HG23 THR A2017 7.328 1.078 -9.113 1.00 0.00 H new ATOM 1294 N LEU A2018 3.531 1.568 -5.804 1.00 0.00 N ATOM 1295 CA LEU A2018 2.235 1.226 -5.220 1.00 0.00 C ATOM 1296 C LEU A2018 1.312 0.583 -6.228 1.00 0.00 C ATOM 1297 O LEU A2018 0.535 -0.287 -5.838 1.00 0.00 O ATOM 1298 CB LEU A2018 1.539 2.519 -4.761 1.00 0.00 C ATOM 1299 CG LEU A2018 2.393 3.316 -3.776 1.00 0.00 C ATOM 1300 CD1 LEU A2018 1.860 4.714 -3.560 1.00 0.00 C ATOM 1301 CD2 LEU A2018 2.412 2.578 -2.447 1.00 0.00 C ATOM 0 H LEU A2018 3.689 2.575 -5.851 1.00 0.00 H new ATOM 0 HA LEU A2018 2.424 0.534 -4.400 1.00 0.00 H new ATOM 0 HB2 LEU A2018 1.317 3.138 -5.630 1.00 0.00 H new ATOM 0 HB3 LEU A2018 0.586 2.271 -4.294 1.00 0.00 H new ATOM 0 HG LEU A2018 3.396 3.408 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU A2018 2.499 5.242 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A2018 1.849 5.250 -4.509 1.00 0.00 H new ATOM 0 HD13 LEU A2018 0.847 4.660 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU A2018 3.018 3.133 -1.731 1.00 0.00 H new ATOM 0 HD22 LEU A2018 1.394 2.486 -2.067 1.00 0.00 H new ATOM 0 HD23 LEU A2018 2.837 1.584 -2.589 1.00 0.00 H new ATOM 1313 N LEU A2019 1.367 1.029 -7.483 1.00 0.00 N ATOM 1314 CA LEU A2019 0.528 0.514 -8.561 1.00 0.00 C ATOM 1315 C LEU A2019 0.616 -1.011 -8.608 1.00 0.00 C ATOM 1316 O LEU A2019 -0.398 -1.702 -8.490 1.00 0.00 O ATOM 1317 CB LEU A2019 0.970 1.164 -9.892 1.00 0.00 C ATOM 1318 CG LEU A2019 0.503 2.615 -10.045 1.00 0.00 C ATOM 1319 CD1 LEU A2019 1.228 3.309 -11.201 1.00 0.00 C ATOM 1320 CD2 LEU A2019 -1.003 2.761 -10.248 1.00 0.00 C ATOM 0 H LEU A2019 2.004 1.767 -7.782 1.00 0.00 H new ATOM 0 HA LEU A2019 -0.517 0.770 -8.386 1.00 0.00 H new ATOM 0 HB2 LEU A2019 2.057 1.131 -9.960 1.00 0.00 H new ATOM 0 HB3 LEU A2019 0.580 0.575 -10.722 1.00 0.00 H new ATOM 0 HG LEU A2019 0.753 3.093 -9.098 1.00 0.00 H new ATOM 0 HD11 LEU A2019 0.876 4.337 -11.286 1.00 0.00 H new ATOM 0 HD12 LEU A2019 2.301 3.307 -11.011 1.00 0.00 H new ATOM 0 HD13 LEU A2019 1.023 2.778 -12.130 1.00 0.00 H new ATOM 0 HD21 LEU A2019 -1.256 3.816 -10.348 1.00 0.00 H new ATOM 0 HD22 LEU A2019 -1.302 2.229 -11.151 1.00 0.00 H new ATOM 0 HD23 LEU A2019 -1.528 2.342 -9.390 1.00 0.00 H new ATOM 1332 N GLU A2020 1.832 -1.531 -8.725 1.00 0.00 N ATOM 1333 CA GLU A2020 2.093 -2.961 -8.777 1.00 0.00 C ATOM 1334 C GLU A2020 1.960 -3.608 -7.388 1.00 0.00 C ATOM 1335 O GLU A2020 1.358 -4.676 -7.264 1.00 0.00 O ATOM 1336 CB GLU A2020 3.419 -3.257 -9.513 1.00 0.00 C ATOM 1337 CG GLU A2020 4.460 -2.123 -9.524 1.00 0.00 C ATOM 1338 CD GLU A2020 5.717 -2.427 -10.350 1.00 0.00 C ATOM 1339 OE1 GLU A2020 5.829 -3.520 -10.956 1.00 0.00 O ATOM 1340 OE2 GLU A2020 6.564 -1.518 -10.499 1.00 0.00 O ATOM 0 H GLU A2020 2.676 -0.961 -8.787 1.00 0.00 H new ATOM 0 HA GLU A2020 1.323 -3.443 -9.379 1.00 0.00 H new ATOM 0 HB2 GLU A2020 3.875 -4.136 -9.057 1.00 0.00 H new ATOM 0 HB3 GLU A2020 3.187 -3.518 -10.545 1.00 0.00 H new ATOM 0 HG2 GLU A2020 3.992 -1.220 -9.916 1.00 0.00 H new ATOM 0 HG3 GLU A2020 4.757 -1.909 -8.497 1.00 0.00 H new ATOM 1347 N LEU A2021 2.439 -2.946 -6.322 1.00 0.00 N ATOM 1348 CA LEU A2021 2.373 -3.482 -4.958 1.00 0.00 C ATOM 1349 C LEU A2021 0.935 -3.800 -4.554 1.00 0.00 C ATOM 1350 O LEU A2021 0.660 -4.911 -4.103 1.00 0.00 O ATOM 1351 CB LEU A2021 3.010 -2.523 -3.944 1.00 0.00 C ATOM 1352 CG LEU A2021 3.530 -3.254 -2.683 1.00 0.00 C ATOM 1353 CD1 LEU A2021 5.013 -3.584 -2.815 1.00 0.00 C ATOM 1354 CD2 LEU A2021 3.410 -2.365 -1.455 1.00 0.00 C ATOM 0 H LEU A2021 2.880 -2.029 -6.384 1.00 0.00 H new ATOM 0 HA LEU A2021 2.944 -4.410 -4.953 1.00 0.00 H new ATOM 0 HB2 LEU A2021 3.835 -1.993 -4.419 1.00 0.00 H new ATOM 0 HB3 LEU A2021 2.277 -1.772 -3.649 1.00 0.00 H new ATOM 0 HG LEU A2021 2.930 -4.158 -2.582 1.00 0.00 H new ATOM 0 HD11 LEU A2021 5.353 -4.097 -1.916 1.00 0.00 H new ATOM 0 HD12 LEU A2021 5.167 -4.228 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A2021 5.581 -2.662 -2.943 1.00 0.00 H new ATOM 0 HD21 LEU A2021 3.781 -2.900 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A2021 3.998 -1.459 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A2021 2.365 -2.098 -1.300 1.00 0.00 H new ATOM 1366 N SER A2022 0.031 -2.825 -4.681 1.00 0.00 N ATOM 1367 CA SER A2022 -1.375 -2.996 -4.333 1.00 0.00 C ATOM 1368 C SER A2022 -2.040 -4.019 -5.245 1.00 0.00 C ATOM 1369 O SER A2022 -2.900 -4.765 -4.778 1.00 0.00 O ATOM 1370 CB SER A2022 -2.130 -1.660 -4.373 1.00 0.00 C ATOM 1371 OG SER A2022 -1.992 -0.953 -5.591 1.00 0.00 O ATOM 0 H SER A2022 0.258 -1.894 -5.029 1.00 0.00 H new ATOM 0 HA SER A2022 -1.417 -3.370 -3.310 1.00 0.00 H new ATOM 0 HB2 SER A2022 -3.188 -1.848 -4.193 1.00 0.00 H new ATOM 0 HB3 SER A2022 -1.775 -1.030 -3.558 1.00 0.00 H new ATOM 0 HG SER A2022 -1.088 -0.579 -5.652 1.00 0.00 H new ATOM 1377 N GLY A2023 -1.611 -4.072 -6.509 1.00 0.00 N ATOM 1378 CA GLY A2023 -2.126 -4.971 -7.522 1.00 0.00 C ATOM 1379 C GLY A2023 -2.042 -6.407 -7.049 1.00 0.00 C ATOM 1380 O GLY A2023 -3.033 -7.138 -7.099 1.00 0.00 O ATOM 0 H GLY A2023 -0.869 -3.465 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY A2023 -3.161 -4.717 -7.750 1.00 0.00 H new ATOM 0 HA3 GLY A2023 -1.558 -4.852 -8.445 1.00 0.00 H new ATOM 1384 N TYR A2024 -0.875 -6.810 -6.547 1.00 0.00 N ATOM 1385 CA TYR A2024 -0.698 -8.165 -6.053 1.00 0.00 C ATOM 1386 C TYR A2024 -1.509 -8.377 -4.775 1.00 0.00 C ATOM 1387 O TYR A2024 -2.299 -9.315 -4.725 1.00 0.00 O ATOM 1388 CB TYR A2024 0.787 -8.454 -5.847 1.00 0.00 C ATOM 1389 CG TYR A2024 1.108 -9.888 -5.468 1.00 0.00 C ATOM 1390 CD1 TYR A2024 0.730 -10.932 -6.333 1.00 0.00 C ATOM 1391 CD2 TYR A2024 1.829 -10.182 -4.292 1.00 0.00 C ATOM 1392 CE1 TYR A2024 1.108 -12.254 -6.055 1.00 0.00 C ATOM 1393 CE2 TYR A2024 2.181 -11.511 -3.989 1.00 0.00 C ATOM 1394 CZ TYR A2024 1.851 -12.543 -4.894 1.00 0.00 C ATOM 1395 OH TYR A2024 2.359 -13.789 -4.713 1.00 0.00 O ATOM 0 H TYR A2024 -0.047 -6.219 -6.474 1.00 0.00 H new ATOM 0 HA TYR A2024 -1.073 -8.873 -6.792 1.00 0.00 H new ATOM 0 HB2 TYR A2024 1.322 -8.207 -6.764 1.00 0.00 H new ATOM 0 HB3 TYR A2024 1.167 -7.793 -5.068 1.00 0.00 H new ATOM 0 HD1 TYR A2024 0.146 -10.714 -7.215 1.00 0.00 H new ATOM 0 HD2 TYR A2024 2.112 -9.384 -3.621 1.00 0.00 H new ATOM 0 HE1 TYR A2024 0.830 -13.049 -6.731 1.00 0.00 H new ATOM 0 HE2 TYR A2024 2.700 -11.740 -3.070 1.00 0.00 H new ATOM 0 HH TYR A2024 2.846 -13.823 -3.863 1.00 0.00 H new ATOM 1405 N ILE A2025 -1.378 -7.497 -3.773 1.00 0.00 N ATOM 1406 CA ILE A2025 -2.079 -7.593 -2.483 1.00 0.00 C ATOM 1407 C ILE A2025 -3.576 -7.808 -2.671 1.00 0.00 C ATOM 1408 O ILE A2025 -4.130 -8.711 -2.041 1.00 0.00 O ATOM 1409 CB ILE A2025 -1.818 -6.322 -1.637 1.00 0.00 C ATOM 1410 CG1 ILE A2025 -0.328 -6.254 -1.251 1.00 0.00 C ATOM 1411 CG2 ILE A2025 -2.678 -6.249 -0.358 1.00 0.00 C ATOM 1412 CD1 ILE A2025 0.015 -5.019 -0.426 1.00 0.00 C ATOM 0 H ILE A2025 -0.769 -6.681 -3.837 1.00 0.00 H new ATOM 0 HA ILE A2025 -1.686 -8.461 -1.954 1.00 0.00 H new ATOM 0 HB ILE A2025 -2.099 -5.472 -2.259 1.00 0.00 H new ATOM 0 HG12 ILE A2025 -0.063 -7.147 -0.686 1.00 0.00 H new ATOM 0 HG13 ILE A2025 0.278 -6.259 -2.157 1.00 0.00 H new ATOM 0 HG21 ILE A2025 -2.444 -5.334 0.186 1.00 0.00 H new ATOM 0 HG22 ILE A2025 -3.734 -6.250 -0.629 1.00 0.00 H new ATOM 0 HG23 ILE A2025 -2.465 -7.111 0.274 1.00 0.00 H new ATOM 0 HD11 ILE A2025 1.078 -5.026 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A2025 -0.221 -4.122 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A2025 -0.567 -5.024 0.496 1.00 0.00 H new ATOM 1424 N ALA A2026 -4.219 -7.005 -3.522 1.00 0.00 N ATOM 1425 CA ALA A2026 -5.645 -7.091 -3.784 1.00 0.00 C ATOM 1426 C ALA A2026 -6.061 -8.502 -4.194 1.00 0.00 C ATOM 1427 O ALA A2026 -7.152 -8.940 -3.832 1.00 0.00 O ATOM 1428 CB ALA A2026 -6.012 -6.077 -4.875 1.00 0.00 C ATOM 0 H ALA A2026 -3.752 -6.269 -4.052 1.00 0.00 H new ATOM 0 HA ALA A2026 -6.185 -6.857 -2.866 1.00 0.00 H new ATOM 0 HB1 ALA A2026 -7.081 -6.133 -5.079 1.00 0.00 H new ATOM 0 HB2 ALA A2026 -5.760 -5.072 -4.537 1.00 0.00 H new ATOM 0 HB3 ALA A2026 -5.456 -6.304 -5.785 1.00 0.00 H new ATOM 1434 N GLN A2027 -5.207 -9.216 -4.932 1.00 0.00 N ATOM 1435 CA GLN A2027 -5.494 -10.566 -5.383 1.00 0.00 C ATOM 1436 C GLN A2027 -5.332 -11.574 -4.243 1.00 0.00 C ATOM 1437 O GLN A2027 -6.031 -12.591 -4.223 1.00 0.00 O ATOM 1438 CB GLN A2027 -4.556 -10.961 -6.532 1.00 0.00 C ATOM 1439 CG GLN A2027 -4.668 -10.067 -7.774 1.00 0.00 C ATOM 1440 CD GLN A2027 -3.476 -10.316 -8.687 1.00 0.00 C ATOM 1441 OE1 GLN A2027 -3.280 -11.430 -9.164 1.00 0.00 O ATOM 1442 NE2 GLN A2027 -2.630 -9.333 -8.930 1.00 0.00 N ATOM 0 H GLN A2027 -4.296 -8.867 -5.231 1.00 0.00 H new ATOM 0 HA GLN A2027 -6.527 -10.582 -5.730 1.00 0.00 H new ATOM 0 HB2 GLN A2027 -3.528 -10.935 -6.171 1.00 0.00 H new ATOM 0 HB3 GLN A2027 -4.767 -11.991 -6.820 1.00 0.00 H new ATOM 0 HG2 GLN A2027 -5.596 -10.278 -8.305 1.00 0.00 H new ATOM 0 HG3 GLN A2027 -4.701 -9.018 -7.479 1.00 0.00 H new ATOM 0 HE21 GLN A2027 -2.795 -8.408 -8.533 1.00 0.00 H new ATOM 0 HE22 GLN A2027 -1.811 -9.498 -9.515 1.00 0.00 H new ATOM 1451 N ILE A2028 -4.408 -11.326 -3.309 1.00 0.00 N ATOM 1452 CA ILE A2028 -4.156 -12.220 -2.180 1.00 0.00 C ATOM 1453 C ILE A2028 -5.341 -12.178 -1.225 1.00 0.00 C ATOM 1454 O ILE A2028 -5.963 -13.210 -0.978 1.00 0.00 O ATOM 1455 CB ILE A2028 -2.882 -11.812 -1.402 1.00 0.00 C ATOM 1456 CG1 ILE A2028 -1.671 -11.591 -2.312 1.00 0.00 C ATOM 1457 CG2 ILE A2028 -2.526 -12.873 -0.356 1.00 0.00 C ATOM 1458 CD1 ILE A2028 -0.462 -11.000 -1.577 1.00 0.00 C ATOM 0 H ILE A2028 -3.814 -10.497 -3.317 1.00 0.00 H new ATOM 0 HA ILE A2028 -4.014 -13.225 -2.578 1.00 0.00 H new ATOM 0 HB ILE A2028 -3.116 -10.864 -0.918 1.00 0.00 H new ATOM 0 HG12 ILE A2028 -1.385 -12.542 -2.762 1.00 0.00 H new ATOM 0 HG13 ILE A2028 -1.954 -10.925 -3.127 1.00 0.00 H new ATOM 0 HG21 ILE A2028 -1.628 -12.568 0.180 1.00 0.00 H new ATOM 0 HG22 ILE A2028 -3.351 -12.980 0.349 1.00 0.00 H new ATOM 0 HG23 ILE A2028 -2.346 -13.827 -0.852 1.00 0.00 H new ATOM 0 HD11 ILE A2028 0.362 -10.868 -2.279 1.00 0.00 H new ATOM 0 HD12 ILE A2028 -0.732 -10.034 -1.150 1.00 0.00 H new ATOM 0 HD13 ILE A2028 -0.155 -11.677 -0.780 1.00 0.00 H new ATOM 1470 N LEU A2029 -5.713 -10.989 -0.739 1.00 0.00 N ATOM 1471 CA LEU A2029 -6.831 -10.882 0.194 1.00 0.00 C ATOM 1472 C LEU A2029 -8.131 -11.308 -0.463 1.00 0.00 C ATOM 1473 O LEU A2029 -8.997 -11.863 0.211 1.00 0.00 O ATOM 1474 CB LEU A2029 -6.928 -9.493 0.841 1.00 0.00 C ATOM 1475 CG LEU A2029 -6.998 -8.278 -0.095 1.00 0.00 C ATOM 1476 CD1 LEU A2029 -8.411 -7.972 -0.593 1.00 0.00 C ATOM 1477 CD2 LEU A2029 -6.460 -7.067 0.664 1.00 0.00 C ATOM 0 H LEU A2029 -5.263 -10.104 -0.973 1.00 0.00 H new ATOM 0 HA LEU A2029 -6.637 -11.575 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A2029 -7.813 -9.479 1.477 1.00 0.00 H new ATOM 0 HB3 LEU A2029 -6.065 -9.365 1.494 1.00 0.00 H new ATOM 0 HG LEU A2029 -6.402 -8.506 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A2029 -8.385 -7.102 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A2029 -8.797 -8.830 -1.143 1.00 0.00 H new ATOM 0 HD13 LEU A2029 -9.060 -7.766 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A2029 -6.498 -6.188 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A2029 -7.069 -6.894 1.552 1.00 0.00 H new ATOM 0 HD23 LEU A2029 -5.428 -7.253 0.962 1.00 0.00 H new ATOM 1489 N SER A2030 -8.253 -11.120 -1.778 1.00 0.00 N ATOM 1490 CA SER A2030 -9.488 -11.510 -2.446 1.00 0.00 C ATOM 1491 C SER A2030 -9.569 -13.038 -2.565 1.00 0.00 C ATOM 1492 O SER A2030 -10.632 -13.590 -2.847 1.00 0.00 O ATOM 1493 CB SER A2030 -9.638 -10.756 -3.771 1.00 0.00 C ATOM 1494 OG SER A2030 -10.914 -10.939 -4.355 1.00 0.00 O ATOM 0 H SER A2030 -7.537 -10.714 -2.381 1.00 0.00 H new ATOM 0 HA SER A2030 -10.350 -11.218 -1.847 1.00 0.00 H new ATOM 0 HB2 SER A2030 -9.468 -9.693 -3.602 1.00 0.00 H new ATOM 0 HB3 SER A2030 -8.871 -11.095 -4.467 1.00 0.00 H new ATOM 0 HG SER A2030 -11.304 -11.779 -4.033 1.00 0.00 H new ATOM 1500 N SER A2031 -8.452 -13.742 -2.377 1.00 0.00 N ATOM 1501 CA SER A2031 -8.393 -15.191 -2.431 1.00 0.00 C ATOM 1502 C SER A2031 -8.743 -15.730 -1.043 1.00 0.00 C ATOM 1503 O SER A2031 -9.418 -16.757 -0.941 1.00 0.00 O ATOM 1504 CB SER A2031 -6.983 -15.625 -2.851 1.00 0.00 C ATOM 1505 OG SER A2031 -6.954 -16.996 -3.182 1.00 0.00 O ATOM 0 H SER A2031 -7.551 -13.307 -2.180 1.00 0.00 H new ATOM 0 HA SER A2031 -9.100 -15.586 -3.161 1.00 0.00 H new ATOM 0 HB2 SER A2031 -6.656 -15.034 -3.706 1.00 0.00 H new ATOM 0 HB3 SER A2031 -6.281 -15.428 -2.040 1.00 0.00 H new ATOM 0 HG SER A2031 -6.045 -17.249 -3.448 1.00 0.00 H new