USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 624 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1964 GLN : amide:sc= 0 X(o=1.3,f=1.2) USER MOD Set 1.2: A2002 THR OG1 : rot 81:sc= 1.25 USER MOD Set 2.1: A1955 SER OG : rot 180:sc= 0.646 USER MOD Set 2.2: A1958 LYS NZ :NH3+ 147:sc= 1.3 (180deg=-0.494!) USER MOD Single : A1953 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.3) USER MOD Single : A1959 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A1962 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1963 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A1970 TYR OH : rot 180:sc= 0 USER MOD Single : A1971 THR OG1 : rot 160:sc=0.000553 USER MOD Single : A1974 SER OG : rot 180:sc= 0 USER MOD Single : A1980 GLN : amide:sc= 0.102 K(o=0.1,f=-0.68) 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 -120:sc= 0 USER MOD Single : A1997 THR OG1 : rot 180:sc= 0 USER MOD Single : A1998 THR OG1 : rot 180:sc= 0.0593 USER MOD Single : A2000 ASN : amide:sc= 0.525 K(o=0.52,f=-6.6!) USER MOD Single : A2001 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A2003 TYR OH : rot 15:sc= -0.915 USER MOD Single : A2004 ASN : amide:sc= 0.15 X(o=0.15,f=-0.017) USER MOD Single : A2006 ASN : amide:sc= -0.301 K(o=-0.3,f=-1.8) USER MOD Single : A2008 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2010 THR OG1 : rot 180:sc= 0 USER MOD Single : A2011 LYS NZ :NH3+ -165:sc= 0.185 (180deg=-0.0922) USER MOD Single : A2013 TYR OH : rot 180:sc= 0 USER MOD Single : A2015 TYR OH : rot 180:sc= 0 USER MOD Single : A2017 THR OG1 : rot 180:sc= -0.0265 USER MOD Single : A2022 SER OG : rot -175:sc= -0.0764 USER MOD Single : A2024 TYR OH : rot 180:sc= 0 USER MOD Single : A2027 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2030 SER OG : rot -26:sc= 0.0145 USER MOD ----------------------------------------------------------------- ATOM 252 N ASN A1953 11.708 -4.162 1.366 1.00 0.00 N ATOM 253 CA ASN A1953 11.574 -3.503 2.658 1.00 0.00 C ATOM 254 C ASN A1953 10.191 -2.875 2.777 1.00 0.00 C ATOM 255 O ASN A1953 9.619 -2.461 1.779 1.00 0.00 O ATOM 256 CB ASN A1953 12.611 -2.372 2.674 1.00 0.00 C ATOM 257 CG ASN A1953 12.421 -1.300 3.725 1.00 0.00 C ATOM 258 OD1 ASN A1953 12.091 -1.549 4.877 1.00 0.00 O ATOM 259 ND2 ASN A1953 12.553 -0.060 3.320 1.00 0.00 N ATOM 0 HA ASN A1953 11.717 -4.213 3.472 1.00 0.00 H new ATOM 0 HB2 ASN A1953 13.597 -2.815 2.812 1.00 0.00 H new ATOM 0 HB3 ASN A1953 12.610 -1.894 1.694 1.00 0.00 H new ATOM 0 HD21 ASN A1953 12.380 0.709 3.967 1.00 0.00 H new ATOM 0 HD22 ASN A1953 12.829 0.136 2.358 1.00 0.00 H new ATOM 266 N LEU A1954 9.691 -2.690 3.992 1.00 0.00 N ATOM 267 CA LEU A1954 8.400 -2.076 4.282 1.00 0.00 C ATOM 268 C LEU A1954 8.198 -0.736 3.584 1.00 0.00 C ATOM 269 O LEU A1954 7.112 -0.429 3.095 1.00 0.00 O ATOM 270 CB LEU A1954 8.329 -1.813 5.799 1.00 0.00 C ATOM 271 CG LEU A1954 7.251 -2.641 6.501 1.00 0.00 C ATOM 272 CD1 LEU A1954 5.883 -2.325 5.892 1.00 0.00 C ATOM 273 CD2 LEU A1954 7.588 -4.130 6.471 1.00 0.00 C ATOM 0 H LEU A1954 10.191 -2.974 4.834 1.00 0.00 H new ATOM 0 HA LEU A1954 7.631 -2.761 3.925 1.00 0.00 H new ATOM 0 HB2 LEU A1954 9.298 -2.035 6.246 1.00 0.00 H new ATOM 0 HB3 LEU A1954 8.134 -0.754 5.970 1.00 0.00 H new ATOM 0 HG LEU A1954 7.213 -2.367 7.555 1.00 0.00 H new ATOM 0 HD11 LEU A1954 5.116 -2.916 6.393 1.00 0.00 H new ATOM 0 HD12 LEU A1954 5.665 -1.265 6.019 1.00 0.00 H new ATOM 0 HD13 LEU A1954 5.892 -2.569 4.830 1.00 0.00 H new ATOM 0 HD21 LEU A1954 6.803 -4.691 6.978 1.00 0.00 H new ATOM 0 HD22 LEU A1954 7.664 -4.465 5.437 1.00 0.00 H new ATOM 0 HD23 LEU A1954 8.539 -4.298 6.977 1.00 0.00 H new ATOM 285 N SER A1955 9.231 0.096 3.562 1.00 0.00 N ATOM 286 CA SER A1955 9.158 1.399 2.939 1.00 0.00 C ATOM 287 C SER A1955 8.937 1.272 1.425 1.00 0.00 C ATOM 288 O SER A1955 8.268 2.141 0.866 1.00 0.00 O ATOM 289 CB SER A1955 10.393 2.208 3.354 1.00 0.00 C ATOM 290 OG SER A1955 10.103 3.556 3.646 1.00 0.00 O ATOM 0 H SER A1955 10.138 -0.118 3.976 1.00 0.00 H new ATOM 0 HA SER A1955 8.288 1.956 3.287 1.00 0.00 H new ATOM 0 HB2 SER A1955 10.846 1.743 4.229 1.00 0.00 H new ATOM 0 HB3 SER A1955 11.131 2.167 2.553 1.00 0.00 H new ATOM 0 HG SER A1955 10.927 4.019 3.905 1.00 0.00 H new ATOM 296 N GLU A1956 9.487 0.240 0.766 1.00 0.00 N ATOM 297 CA GLU A1956 9.357 0.024 -0.681 1.00 0.00 C ATOM 298 C GLU A1956 7.894 -0.111 -1.117 1.00 0.00 C ATOM 299 O GLU A1956 7.425 0.657 -1.953 1.00 0.00 O ATOM 300 CB GLU A1956 10.117 -1.258 -1.075 1.00 0.00 C ATOM 301 CG GLU A1956 11.635 -1.184 -0.839 1.00 0.00 C ATOM 302 CD GLU A1956 12.494 -0.726 -2.030 1.00 0.00 C ATOM 303 OE1 GLU A1956 12.050 0.082 -2.883 1.00 0.00 O ATOM 304 OE2 GLU A1956 13.648 -1.205 -2.120 1.00 0.00 O ATOM 0 H GLU A1956 10.042 -0.478 1.232 1.00 0.00 H new ATOM 0 HA GLU A1956 9.778 0.895 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A1956 9.712 -2.096 -0.508 1.00 0.00 H new ATOM 0 HB3 GLU A1956 9.933 -1.467 -2.129 1.00 0.00 H new ATOM 0 HG2 GLU A1956 11.818 -0.505 -0.006 1.00 0.00 H new ATOM 0 HG3 GLU A1956 11.980 -2.170 -0.529 1.00 0.00 H new ATOM 311 N ILE A1957 7.137 -1.016 -0.494 1.00 0.00 N ATOM 312 CA ILE A1957 5.740 -1.246 -0.825 1.00 0.00 C ATOM 313 C ILE A1957 4.935 -0.056 -0.328 1.00 0.00 C ATOM 314 O ILE A1957 4.074 0.411 -1.059 1.00 0.00 O ATOM 315 CB ILE A1957 5.226 -2.567 -0.227 1.00 0.00 C ATOM 316 CG1 ILE A1957 6.217 -3.735 -0.389 1.00 0.00 C ATOM 317 CG2 ILE A1957 3.824 -2.963 -0.696 1.00 0.00 C ATOM 318 CD1 ILE A1957 6.842 -4.038 0.974 1.00 0.00 C ATOM 0 H ILE A1957 7.484 -1.611 0.259 1.00 0.00 H new ATOM 0 HA ILE A1957 5.629 -1.340 -1.905 1.00 0.00 H new ATOM 0 HB ILE A1957 5.144 -2.356 0.839 1.00 0.00 H new ATOM 0 HG12 ILE A1957 5.703 -4.616 -0.774 1.00 0.00 H new ATOM 0 HG13 ILE A1957 6.991 -3.477 -1.111 1.00 0.00 H new ATOM 0 HG21 ILE A1957 3.537 -3.905 -0.229 1.00 0.00 H new ATOM 0 HG22 ILE A1957 3.113 -2.186 -0.414 1.00 0.00 H new ATOM 0 HG23 ILE A1957 3.822 -3.080 -1.780 1.00 0.00 H new ATOM 0 HD11 ILE A1957 7.547 -4.864 0.876 1.00 0.00 H new ATOM 0 HD12 ILE A1957 7.367 -3.155 1.338 1.00 0.00 H new ATOM 0 HD13 ILE A1957 6.059 -4.312 1.681 1.00 0.00 H new ATOM 330 N LYS A1958 5.208 0.481 0.869 1.00 0.00 N ATOM 331 CA LYS A1958 4.463 1.629 1.371 1.00 0.00 C ATOM 332 C LYS A1958 4.531 2.792 0.378 1.00 0.00 C ATOM 333 O LYS A1958 3.481 3.329 0.032 1.00 0.00 O ATOM 334 CB LYS A1958 4.945 1.976 2.786 1.00 0.00 C ATOM 335 CG LYS A1958 4.568 3.396 3.223 1.00 0.00 C ATOM 336 CD LYS A1958 5.766 4.338 3.132 1.00 0.00 C ATOM 337 CE LYS A1958 6.708 4.083 4.305 1.00 0.00 C ATOM 338 NZ LYS A1958 7.771 5.094 4.394 1.00 0.00 N ATOM 0 H LYS A1958 5.934 0.138 1.498 1.00 0.00 H new ATOM 0 HA LYS A1958 3.404 1.387 1.457 1.00 0.00 H new ATOM 0 HB2 LYS A1958 4.522 1.262 3.492 1.00 0.00 H new ATOM 0 HB3 LYS A1958 6.028 1.865 2.831 1.00 0.00 H new ATOM 0 HG2 LYS A1958 3.759 3.770 2.595 1.00 0.00 H new ATOM 0 HG3 LYS A1958 4.194 3.377 4.247 1.00 0.00 H new ATOM 0 HD2 LYS A1958 6.292 4.184 2.190 1.00 0.00 H new ATOM 0 HD3 LYS A1958 5.428 5.374 3.142 1.00 0.00 H new ATOM 0 HE2 LYS A1958 6.136 4.077 5.233 1.00 0.00 H new ATOM 0 HE3 LYS A1958 7.157 3.095 4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A1958 8.017 5.252 5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A1958 8.611 4.761 3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A1958 7.439 5.985 3.974 1.00 0.00 H new ATOM 352 N GLN A1959 5.721 3.189 -0.085 1.00 0.00 N ATOM 353 CA GLN A1959 5.783 4.306 -1.034 1.00 0.00 C ATOM 354 C GLN A1959 5.066 3.965 -2.350 1.00 0.00 C ATOM 355 O GLN A1959 4.461 4.832 -2.968 1.00 0.00 O ATOM 356 CB GLN A1959 7.205 4.818 -1.312 1.00 0.00 C ATOM 357 CG GLN A1959 8.129 3.849 -2.067 1.00 0.00 C ATOM 358 CD GLN A1959 9.464 4.477 -2.445 1.00 0.00 C ATOM 359 OE1 GLN A1959 9.978 5.371 -1.777 1.00 0.00 O ATOM 360 NE2 GLN A1959 10.086 3.994 -3.504 1.00 0.00 N ATOM 0 H GLN A1959 6.618 2.775 0.168 1.00 0.00 H new ATOM 0 HA GLN A1959 5.258 5.125 -0.542 1.00 0.00 H new ATOM 0 HB2 GLN A1959 7.133 5.742 -1.885 1.00 0.00 H new ATOM 0 HB3 GLN A1959 7.673 5.069 -0.360 1.00 0.00 H new ATOM 0 HG2 GLN A1959 8.309 2.970 -1.448 1.00 0.00 H new ATOM 0 HG3 GLN A1959 7.626 3.505 -2.971 1.00 0.00 H new ATOM 0 HE21 GLN A1959 9.654 3.252 -4.055 1.00 0.00 H new ATOM 0 HE22 GLN A1959 10.998 4.363 -3.772 1.00 0.00 H new ATOM 369 N VAL A1960 5.138 2.710 -2.794 1.00 0.00 N ATOM 370 CA VAL A1960 4.493 2.255 -4.022 1.00 0.00 C ATOM 371 C VAL A1960 2.983 2.428 -3.822 1.00 0.00 C ATOM 372 O VAL A1960 2.304 3.054 -4.633 1.00 0.00 O ATOM 373 CB VAL A1960 4.989 0.824 -4.326 1.00 0.00 C ATOM 374 CG1 VAL A1960 4.010 -0.023 -5.135 1.00 0.00 C ATOM 375 CG2 VAL A1960 6.346 0.866 -5.046 1.00 0.00 C ATOM 0 H VAL A1960 5.651 1.976 -2.306 1.00 0.00 H new ATOM 0 HA VAL A1960 4.748 2.831 -4.912 1.00 0.00 H new ATOM 0 HB VAL A1960 5.085 0.340 -3.354 1.00 0.00 H new ATOM 0 HG11 VAL A1960 4.437 -1.012 -5.303 1.00 0.00 H new ATOM 0 HG12 VAL A1960 3.074 -0.121 -4.586 1.00 0.00 H new ATOM 0 HG13 VAL A1960 3.819 0.458 -6.094 1.00 0.00 H new ATOM 0 HG21 VAL A1960 6.680 -0.151 -5.252 1.00 0.00 H new ATOM 0 HG22 VAL A1960 6.243 1.412 -5.984 1.00 0.00 H new ATOM 0 HG23 VAL A1960 7.078 1.367 -4.413 1.00 0.00 H new ATOM 385 N LEU A1961 2.460 1.934 -2.701 1.00 0.00 N ATOM 386 CA LEU A1961 1.062 2.035 -2.330 1.00 0.00 C ATOM 387 C LEU A1961 0.647 3.504 -2.239 1.00 0.00 C ATOM 388 O LEU A1961 -0.522 3.772 -2.464 1.00 0.00 O ATOM 389 CB LEU A1961 0.802 1.344 -0.992 1.00 0.00 C ATOM 390 CG LEU A1961 0.854 -0.189 -1.007 1.00 0.00 C ATOM 391 CD1 LEU A1961 0.718 -0.667 0.437 1.00 0.00 C ATOM 392 CD2 LEU A1961 -0.227 -0.809 -1.896 1.00 0.00 C ATOM 0 H LEU A1961 3.021 1.438 -2.008 1.00 0.00 H new ATOM 0 HA LEU A1961 0.470 1.538 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU A1961 1.534 1.706 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A1961 -0.180 1.651 -0.631 1.00 0.00 H new ATOM 0 HG LEU A1961 1.803 -0.511 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A1961 0.751 -1.756 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A1961 1.537 -0.264 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A1961 -0.232 -0.322 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A1961 -0.142 -1.895 -1.868 1.00 0.00 H new ATOM 0 HD22 LEU A1961 -1.211 -0.513 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A1961 -0.099 -0.461 -2.921 1.00 0.00 H new ATOM 404 N LYS A1962 1.526 4.452 -1.877 1.00 0.00 N ATOM 405 CA LYS A1962 1.155 5.856 -1.800 1.00 0.00 C ATOM 406 C LYS A1962 0.731 6.320 -3.179 1.00 0.00 C ATOM 407 O LYS A1962 -0.394 6.791 -3.314 1.00 0.00 O ATOM 408 CB LYS A1962 2.310 6.733 -1.272 1.00 0.00 C ATOM 409 CG LYS A1962 2.042 8.206 -1.604 1.00 0.00 C ATOM 410 CD LYS A1962 2.599 9.203 -0.589 1.00 0.00 C ATOM 411 CE LYS A1962 4.012 9.694 -0.933 1.00 0.00 C ATOM 412 NZ LYS A1962 5.081 8.690 -0.796 1.00 0.00 N ATOM 0 H LYS A1962 2.498 4.261 -1.634 1.00 0.00 H new ATOM 0 HA LYS A1962 0.331 5.960 -1.094 1.00 0.00 H new ATOM 0 HB2 LYS A1962 2.410 6.607 -0.194 1.00 0.00 H new ATOM 0 HB3 LYS A1962 3.252 6.416 -1.719 1.00 0.00 H new ATOM 0 HG2 LYS A1962 2.470 8.427 -2.582 1.00 0.00 H new ATOM 0 HG3 LYS A1962 0.965 8.355 -1.686 1.00 0.00 H new ATOM 0 HD2 LYS A1962 1.929 10.060 -0.527 1.00 0.00 H new ATOM 0 HD3 LYS A1962 2.613 8.738 0.397 1.00 0.00 H new ATOM 0 HE2 LYS A1962 4.011 10.061 -1.959 1.00 0.00 H new ATOM 0 HE3 LYS A1962 4.250 10.543 -0.291 1.00 0.00 H new ATOM 0 HZ1 LYS A1962 5.994 9.118 -1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A1962 5.118 8.354 0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A1962 4.887 7.888 -1.429 1.00 0.00 H new ATOM 426 N GLN A1963 1.612 6.202 -4.171 1.00 0.00 N ATOM 427 CA GLN A1963 1.283 6.649 -5.521 1.00 0.00 C ATOM 428 C GLN A1963 0.026 5.968 -6.033 1.00 0.00 C ATOM 429 O GLN A1963 -0.835 6.608 -6.629 1.00 0.00 O ATOM 430 CB GLN A1963 2.483 6.528 -6.480 1.00 0.00 C ATOM 431 CG GLN A1963 2.651 5.260 -7.320 1.00 0.00 C ATOM 432 CD GLN A1963 3.816 5.443 -8.291 1.00 0.00 C ATOM 433 OE1 GLN A1963 4.938 5.776 -7.899 1.00 0.00 O ATOM 434 NE2 GLN A1963 3.599 5.189 -9.565 1.00 0.00 N ATOM 0 H GLN A1963 2.546 5.806 -4.067 1.00 0.00 H new ATOM 0 HA GLN A1963 1.057 7.714 -5.477 1.00 0.00 H new ATOM 0 HB2 GLN A1963 2.438 7.372 -7.168 1.00 0.00 H new ATOM 0 HB3 GLN A1963 3.389 6.649 -5.886 1.00 0.00 H new ATOM 0 HG2 GLN A1963 2.835 4.403 -6.672 1.00 0.00 H new ATOM 0 HG3 GLN A1963 1.734 5.052 -7.871 1.00 0.00 H new ATOM 0 HE21 GLN A1963 2.668 4.914 -9.879 1.00 0.00 H new ATOM 0 HE22 GLN A1963 4.362 5.267 -10.238 1.00 0.00 H new ATOM 443 N GLN A1964 -0.076 4.675 -5.740 1.00 0.00 N ATOM 444 CA GLN A1964 -1.191 3.838 -6.155 1.00 0.00 C ATOM 445 C GLN A1964 -2.486 4.287 -5.479 1.00 0.00 C ATOM 446 O GLN A1964 -3.550 4.186 -6.075 1.00 0.00 O ATOM 447 CB GLN A1964 -0.872 2.376 -5.816 1.00 0.00 C ATOM 448 CG GLN A1964 0.315 1.818 -6.620 1.00 0.00 C ATOM 449 CD GLN A1964 -0.157 1.066 -7.862 1.00 0.00 C ATOM 450 OE1 GLN A1964 -0.467 1.644 -8.893 1.00 0.00 O ATOM 451 NE2 GLN A1964 -0.234 -0.252 -7.800 1.00 0.00 N ATOM 0 H GLN A1964 0.627 4.173 -5.198 1.00 0.00 H new ATOM 0 HA GLN A1964 -1.335 3.933 -7.231 1.00 0.00 H new ATOM 0 HB2 GLN A1964 -0.653 2.295 -4.751 1.00 0.00 H new ATOM 0 HB3 GLN A1964 -1.753 1.764 -6.007 1.00 0.00 H new ATOM 0 HG2 GLN A1964 0.972 2.636 -6.916 1.00 0.00 H new ATOM 0 HG3 GLN A1964 0.901 1.150 -5.989 1.00 0.00 H new ATOM 0 HE21 GLN A1964 0.024 -0.738 -6.941 1.00 0.00 H new ATOM 0 HE22 GLN A1964 -0.551 -0.783 -8.611 1.00 0.00 H new ATOM 460 N LEU A1965 -2.421 4.744 -4.227 1.00 0.00 N ATOM 461 CA LEU A1965 -3.577 5.201 -3.475 1.00 0.00 C ATOM 462 C LEU A1965 -3.976 6.566 -3.982 1.00 0.00 C ATOM 463 O LEU A1965 -5.151 6.780 -4.252 1.00 0.00 O ATOM 464 CB LEU A1965 -3.271 5.245 -1.962 1.00 0.00 C ATOM 465 CG LEU A1965 -4.467 5.515 -1.023 1.00 0.00 C ATOM 466 CD1 LEU A1965 -4.761 6.983 -0.740 1.00 0.00 C ATOM 467 CD2 LEU A1965 -5.746 4.794 -1.441 1.00 0.00 C ATOM 0 H LEU A1965 -1.547 4.805 -3.705 1.00 0.00 H new ATOM 0 HA LEU A1965 -4.402 4.503 -3.618 1.00 0.00 H new ATOM 0 HB2 LEU A1965 -2.822 4.293 -1.677 1.00 0.00 H new ATOM 0 HB3 LEU A1965 -2.520 6.016 -1.788 1.00 0.00 H new ATOM 0 HG LEU A1965 -4.121 5.087 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A1965 -5.618 7.060 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A1965 -3.892 7.444 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A1965 -4.983 7.496 -1.675 1.00 0.00 H new ATOM 0 HD21 LEU A1965 -6.543 5.030 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A1965 -6.037 5.119 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A1965 -5.572 3.718 -1.445 1.00 0.00 H new ATOM 479 N ALA A1966 -3.008 7.474 -4.138 1.00 0.00 N ATOM 480 CA ALA A1966 -3.314 8.806 -4.600 1.00 0.00 C ATOM 481 C ALA A1966 -4.001 8.751 -5.953 1.00 0.00 C ATOM 482 O ALA A1966 -5.011 9.418 -6.134 1.00 0.00 O ATOM 483 CB ALA A1966 -2.073 9.703 -4.661 1.00 0.00 C ATOM 0 H ALA A1966 -2.020 7.302 -3.950 1.00 0.00 H new ATOM 0 HA ALA A1966 -3.992 9.252 -3.873 1.00 0.00 H new ATOM 0 HB1 ALA A1966 -2.357 10.694 -5.015 1.00 0.00 H new ATOM 0 HB2 ALA A1966 -1.634 9.785 -3.667 1.00 0.00 H new ATOM 0 HB3 ALA A1966 -1.344 9.269 -5.345 1.00 0.00 H new ATOM 489 N GLU A1967 -3.497 7.946 -6.889 1.00 0.00 N ATOM 490 CA GLU A1967 -4.127 7.860 -8.203 1.00 0.00 C ATOM 491 C GLU A1967 -5.510 7.224 -8.129 1.00 0.00 C ATOM 492 O GLU A1967 -6.408 7.655 -8.845 1.00 0.00 O ATOM 493 CB GLU A1967 -3.238 7.174 -9.233 1.00 0.00 C ATOM 494 CG GLU A1967 -2.972 5.680 -9.043 1.00 0.00 C ATOM 495 CD GLU A1967 -2.106 5.119 -10.175 1.00 0.00 C ATOM 496 OE1 GLU A1967 -0.938 5.542 -10.346 1.00 0.00 O ATOM 497 OE2 GLU A1967 -2.611 4.260 -10.937 1.00 0.00 O ATOM 0 H GLU A1967 -2.673 7.357 -6.765 1.00 0.00 H new ATOM 0 HA GLU A1967 -4.263 8.885 -8.549 1.00 0.00 H new ATOM 0 HB2 GLU A1967 -3.689 7.314 -10.215 1.00 0.00 H new ATOM 0 HB3 GLU A1967 -2.277 7.689 -9.247 1.00 0.00 H new ATOM 0 HG2 GLU A1967 -2.475 5.516 -8.087 1.00 0.00 H new ATOM 0 HG3 GLU A1967 -3.919 5.142 -9.006 1.00 0.00 H new ATOM 504 N ALA A1968 -5.685 6.231 -7.254 1.00 0.00 N ATOM 505 CA ALA A1968 -6.964 5.549 -7.064 1.00 0.00 C ATOM 506 C ALA A1968 -7.997 6.504 -6.461 1.00 0.00 C ATOM 507 O ALA A1968 -9.196 6.266 -6.594 1.00 0.00 O ATOM 508 CB ALA A1968 -6.790 4.313 -6.177 1.00 0.00 C ATOM 0 H ALA A1968 -4.939 5.877 -6.655 1.00 0.00 H new ATOM 0 HA ALA A1968 -7.326 5.222 -8.038 1.00 0.00 H new ATOM 0 HB1 ALA A1968 -7.753 3.819 -6.048 1.00 0.00 H new ATOM 0 HB2 ALA A1968 -6.089 3.623 -6.647 1.00 0.00 H new ATOM 0 HB3 ALA A1968 -6.404 4.615 -5.204 1.00 0.00 H new ATOM 514 N LEU A1969 -7.527 7.555 -5.783 1.00 0.00 N ATOM 515 CA LEU A1969 -8.335 8.591 -5.162 1.00 0.00 C ATOM 516 C LEU A1969 -8.290 9.865 -6.032 1.00 0.00 C ATOM 517 O LEU A1969 -8.814 10.901 -5.631 1.00 0.00 O ATOM 518 CB LEU A1969 -7.855 8.893 -3.731 1.00 0.00 C ATOM 519 CG LEU A1969 -7.975 7.735 -2.718 1.00 0.00 C ATOM 520 CD1 LEU A1969 -7.951 8.312 -1.311 1.00 0.00 C ATOM 521 CD2 LEU A1969 -9.238 6.888 -2.864 1.00 0.00 C ATOM 0 H LEU A1969 -6.527 7.707 -5.650 1.00 0.00 H new ATOM 0 HA LEU A1969 -9.364 8.237 -5.092 1.00 0.00 H new ATOM 0 HB2 LEU A1969 -6.811 9.202 -3.777 1.00 0.00 H new ATOM 0 HB3 LEU A1969 -8.422 9.742 -3.350 1.00 0.00 H new ATOM 0 HG LEU A1969 -7.132 7.073 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A1969 -8.035 7.504 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU A1969 -7.014 8.846 -1.153 1.00 0.00 H new ATOM 0 HD13 LEU A1969 -8.787 9.001 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A1969 -9.236 6.100 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A1969 -10.117 7.518 -2.727 1.00 0.00 H new ATOM 0 HD23 LEU A1969 -9.263 6.441 -3.858 1.00 0.00 H new ATOM 533 N TYR A1970 -7.649 9.809 -7.209 1.00 0.00 N ATOM 534 CA TYR A1970 -7.476 10.888 -8.180 1.00 0.00 C ATOM 535 C TYR A1970 -6.890 12.162 -7.548 1.00 0.00 C ATOM 536 O TYR A1970 -7.274 13.272 -7.930 1.00 0.00 O ATOM 537 CB TYR A1970 -8.811 11.124 -8.906 1.00 0.00 C ATOM 538 CG TYR A1970 -9.496 9.854 -9.382 1.00 0.00 C ATOM 539 CD1 TYR A1970 -8.894 9.063 -10.376 1.00 0.00 C ATOM 540 CD2 TYR A1970 -10.698 9.427 -8.785 1.00 0.00 C ATOM 541 CE1 TYR A1970 -9.514 7.882 -10.818 1.00 0.00 C ATOM 542 CE2 TYR A1970 -11.328 8.247 -9.219 1.00 0.00 C ATOM 543 CZ TYR A1970 -10.742 7.477 -10.247 1.00 0.00 C ATOM 544 OH TYR A1970 -11.360 6.346 -10.684 1.00 0.00 O ATOM 0 H TYR A1970 -7.208 8.945 -7.525 1.00 0.00 H new ATOM 0 HA TYR A1970 -6.733 10.589 -8.920 1.00 0.00 H new ATOM 0 HB2 TYR A1970 -9.486 11.658 -8.237 1.00 0.00 H new ATOM 0 HB3 TYR A1970 -8.635 11.772 -9.765 1.00 0.00 H new ATOM 0 HD1 TYR A1970 -7.949 9.365 -10.803 1.00 0.00 H new ATOM 0 HD2 TYR A1970 -11.139 10.009 -7.989 1.00 0.00 H new ATOM 0 HE1 TYR A1970 -9.054 7.285 -11.592 1.00 0.00 H new ATOM 0 HE2 TYR A1970 -12.257 7.931 -8.767 1.00 0.00 H new ATOM 0 HH TYR A1970 -12.192 6.214 -10.184 1.00 0.00 H new ATOM 554 N THR A1971 -5.944 12.028 -6.616 1.00 0.00 N ATOM 555 CA THR A1971 -5.310 13.106 -5.879 1.00 0.00 C ATOM 556 C THR A1971 -3.792 13.047 -6.040 1.00 0.00 C ATOM 557 O THR A1971 -3.262 12.391 -6.946 1.00 0.00 O ATOM 558 CB THR A1971 -5.811 13.006 -4.422 1.00 0.00 C ATOM 559 OG1 THR A1971 -5.755 14.262 -3.787 1.00 0.00 O ATOM 560 CG2 THR A1971 -5.048 11.978 -3.580 1.00 0.00 C ATOM 0 H THR A1971 -5.585 11.112 -6.346 1.00 0.00 H new ATOM 0 HA THR A1971 -5.580 14.090 -6.263 1.00 0.00 H new ATOM 0 HB THR A1971 -6.844 12.664 -4.490 1.00 0.00 H new ATOM 0 HG1 THR A1971 -6.352 14.263 -3.010 1.00 0.00 H new ATOM 0 HG21 THR A1971 -5.454 11.963 -2.569 1.00 0.00 H new ATOM 0 HG22 THR A1971 -5.153 10.990 -4.029 1.00 0.00 H new ATOM 0 HG23 THR A1971 -3.993 12.249 -3.543 1.00 0.00 H new ATOM 568 N GLU A1972 -3.068 13.805 -5.224 1.00 0.00 N ATOM 569 CA GLU A1972 -1.619 13.857 -5.253 1.00 0.00 C ATOM 570 C GLU A1972 -1.023 13.105 -4.087 1.00 0.00 C ATOM 571 O GLU A1972 -1.573 13.029 -2.999 1.00 0.00 O ATOM 572 CB GLU A1972 -1.139 15.300 -5.157 1.00 0.00 C ATOM 573 CG GLU A1972 -1.583 16.124 -6.355 1.00 0.00 C ATOM 574 CD GLU A1972 -1.039 17.534 -6.185 1.00 0.00 C ATOM 575 OE1 GLU A1972 -1.700 18.365 -5.519 1.00 0.00 O ATOM 576 OE2 GLU A1972 0.085 17.793 -6.669 1.00 0.00 O ATOM 0 H GLU A1972 -3.482 14.409 -4.514 1.00 0.00 H new ATOM 0 HA GLU A1972 -1.301 13.403 -6.192 1.00 0.00 H new ATOM 0 HB2 GLU A1972 -1.524 15.751 -4.243 1.00 0.00 H new ATOM 0 HB3 GLU A1972 -0.051 15.317 -5.087 1.00 0.00 H new ATOM 0 HG2 GLU A1972 -1.212 15.682 -7.280 1.00 0.00 H new ATOM 0 HG3 GLU A1972 -2.671 16.141 -6.423 1.00 0.00 H new ATOM 583 N GLU A1973 0.167 12.576 -4.296 1.00 0.00 N ATOM 584 CA GLU A1973 0.877 11.836 -3.270 1.00 0.00 C ATOM 585 C GLU A1973 1.289 12.751 -2.122 1.00 0.00 C ATOM 586 O GLU A1973 1.430 12.320 -0.980 1.00 0.00 O ATOM 587 CB GLU A1973 2.109 11.204 -3.884 1.00 0.00 C ATOM 588 CG GLU A1973 1.788 10.392 -5.130 1.00 0.00 C ATOM 589 CD GLU A1973 3.067 9.715 -5.608 1.00 0.00 C ATOM 590 OE1 GLU A1973 3.658 8.920 -4.848 1.00 0.00 O ATOM 591 OE2 GLU A1973 3.501 10.059 -6.731 1.00 0.00 O ATOM 0 H GLU A1973 0.669 12.647 -5.181 1.00 0.00 H new ATOM 0 HA GLU A1973 0.217 11.066 -2.870 1.00 0.00 H new ATOM 0 HB2 GLU A1973 2.826 11.985 -4.138 1.00 0.00 H new ATOM 0 HB3 GLU A1973 2.588 10.559 -3.147 1.00 0.00 H new ATOM 0 HG2 GLU A1973 1.024 9.646 -4.910 1.00 0.00 H new ATOM 0 HG3 GLU A1973 1.387 11.038 -5.911 1.00 0.00 H new ATOM 598 N SER A1974 1.473 14.030 -2.424 1.00 0.00 N ATOM 599 CA SER A1974 1.863 15.048 -1.472 1.00 0.00 C ATOM 600 C SER A1974 0.786 15.284 -0.417 1.00 0.00 C ATOM 601 O SER A1974 1.046 15.994 0.554 1.00 0.00 O ATOM 602 CB SER A1974 2.139 16.343 -2.233 1.00 0.00 C ATOM 603 OG SER A1974 3.220 16.186 -3.132 1.00 0.00 O ATOM 0 H SER A1974 1.350 14.393 -3.369 1.00 0.00 H new ATOM 0 HA SER A1974 2.758 14.711 -0.949 1.00 0.00 H new ATOM 0 HB2 SER A1974 1.246 16.643 -2.782 1.00 0.00 H new ATOM 0 HB3 SER A1974 2.363 17.143 -1.527 1.00 0.00 H new ATOM 0 HG SER A1974 3.375 17.029 -3.608 1.00 0.00 H new ATOM 609 N GLU A1975 -0.387 14.669 -0.556 1.00 0.00 N ATOM 610 CA GLU A1975 -1.490 14.829 0.365 1.00 0.00 C ATOM 611 C GLU A1975 -1.770 13.575 1.206 1.00 0.00 C ATOM 612 O GLU A1975 -2.573 13.635 2.134 1.00 0.00 O ATOM 613 CB GLU A1975 -2.685 15.288 -0.479 1.00 0.00 C ATOM 614 CG GLU A1975 -3.525 14.148 -1.080 1.00 0.00 C ATOM 615 CD GLU A1975 -4.959 14.108 -0.556 1.00 0.00 C ATOM 616 OE1 GLU A1975 -5.529 15.177 -0.220 1.00 0.00 O ATOM 617 OE2 GLU A1975 -5.573 13.024 -0.558 1.00 0.00 O ATOM 0 H GLU A1975 -0.592 14.036 -1.329 1.00 0.00 H new ATOM 0 HA GLU A1975 -1.254 15.574 1.124 1.00 0.00 H new ATOM 0 HB2 GLU A1975 -3.332 15.910 0.140 1.00 0.00 H new ATOM 0 HB3 GLU A1975 -2.319 15.917 -1.290 1.00 0.00 H new ATOM 0 HG2 GLU A1975 -3.545 14.255 -2.165 1.00 0.00 H new ATOM 0 HG3 GLU A1975 -3.040 13.196 -0.863 1.00 0.00 H new ATOM 624 N ILE A1976 -1.123 12.452 0.879 1.00 0.00 N ATOM 625 CA ILE A1976 -1.279 11.153 1.527 1.00 0.00 C ATOM 626 C ILE A1976 -0.334 11.046 2.725 1.00 0.00 C ATOM 627 O ILE A1976 0.641 11.791 2.846 1.00 0.00 O ATOM 628 CB ILE A1976 -1.021 10.014 0.501 1.00 0.00 C ATOM 629 CG1 ILE A1976 -1.544 10.266 -0.934 1.00 0.00 C ATOM 630 CG2 ILE A1976 -1.492 8.622 0.964 1.00 0.00 C ATOM 631 CD1 ILE A1976 -2.964 9.844 -1.303 1.00 0.00 C ATOM 0 H ILE A1976 -0.444 12.427 0.118 1.00 0.00 H new ATOM 0 HA ILE A1976 -2.300 11.053 1.895 1.00 0.00 H new ATOM 0 HB ILE A1976 0.068 10.025 0.456 1.00 0.00 H new ATOM 0 HG12 ILE A1976 -1.460 11.335 -1.129 1.00 0.00 H new ATOM 0 HG13 ILE A1976 -0.865 9.763 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE A1976 -1.274 7.888 0.189 1.00 0.00 H new ATOM 0 HG22 ILE A1976 -0.970 8.348 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A1976 -2.566 8.645 1.150 1.00 0.00 H new ATOM 0 HD11 ILE A1976 -3.160 10.097 -2.345 1.00 0.00 H new ATOM 0 HD12 ILE A1976 -3.072 8.768 -1.164 1.00 0.00 H new ATOM 0 HD13 ILE A1976 -3.676 10.365 -0.663 1.00 0.00 H new ATOM 643 N ALA A1977 -0.622 10.110 3.627 1.00 0.00 N ATOM 644 CA ALA A1977 0.163 9.819 4.814 1.00 0.00 C ATOM 645 C ALA A1977 0.326 8.306 4.893 1.00 0.00 C ATOM 646 O ALA A1977 -0.453 7.547 4.314 1.00 0.00 O ATOM 647 CB ALA A1977 -0.455 10.420 6.076 1.00 0.00 C ATOM 0 H ALA A1977 -1.444 9.512 3.543 1.00 0.00 H new ATOM 0 HA ALA A1977 1.145 10.287 4.743 1.00 0.00 H new ATOM 0 HB1 ALA A1977 0.167 10.176 6.937 1.00 0.00 H new ATOM 0 HB2 ALA A1977 -0.519 11.503 5.970 1.00 0.00 H new ATOM 0 HB3 ALA A1977 -1.454 10.010 6.222 1.00 0.00 H new ATOM 653 N GLU A1978 1.325 7.860 5.643 1.00 0.00 N ATOM 654 CA GLU A1978 1.638 6.443 5.779 1.00 0.00 C ATOM 655 C GLU A1978 0.867 5.749 6.898 1.00 0.00 C ATOM 656 O GLU A1978 0.611 4.548 6.830 1.00 0.00 O ATOM 657 CB GLU A1978 3.153 6.277 5.984 1.00 0.00 C ATOM 658 CG GLU A1978 3.989 7.148 5.036 1.00 0.00 C ATOM 659 CD GLU A1978 5.494 7.009 5.239 1.00 0.00 C ATOM 660 OE1 GLU A1978 5.983 6.420 6.226 1.00 0.00 O ATOM 661 OE2 GLU A1978 6.252 7.403 4.324 1.00 0.00 O ATOM 0 H GLU A1978 1.943 8.472 6.176 1.00 0.00 H new ATOM 0 HA GLU A1978 1.322 5.955 4.857 1.00 0.00 H new ATOM 0 HB2 GLU A1978 3.404 6.529 7.015 1.00 0.00 H new ATOM 0 HB3 GLU A1978 3.421 5.231 5.837 1.00 0.00 H new ATOM 0 HG2 GLU A1978 3.745 6.886 4.007 1.00 0.00 H new ATOM 0 HG3 GLU A1978 3.708 8.192 5.174 1.00 0.00 H new ATOM 668 N ASP A1979 0.468 6.523 7.896 1.00 0.00 N ATOM 669 CA ASP A1979 -0.252 6.168 9.113 1.00 0.00 C ATOM 670 C ASP A1979 -1.673 6.742 9.166 1.00 0.00 C ATOM 671 O ASP A1979 -2.358 6.553 10.176 1.00 0.00 O ATOM 672 CB ASP A1979 0.574 6.647 10.323 1.00 0.00 C ATOM 673 CG ASP A1979 0.858 8.156 10.354 1.00 0.00 C ATOM 674 OD1 ASP A1979 0.793 8.835 9.300 1.00 0.00 O ATOM 675 OD2 ASP A1979 1.355 8.643 11.392 1.00 0.00 O ATOM 0 H ASP A1979 0.661 7.524 7.871 1.00 0.00 H new ATOM 0 HA ASP A1979 -0.372 5.085 9.131 1.00 0.00 H new ATOM 0 HB2 ASP A1979 0.047 6.372 11.236 1.00 0.00 H new ATOM 0 HB3 ASP A1979 1.524 6.113 10.331 1.00 0.00 H new ATOM 680 N GLN A1980 -2.114 7.440 8.116 1.00 0.00 N ATOM 681 CA GLN A1980 -3.443 8.041 7.991 1.00 0.00 C ATOM 682 C GLN A1980 -4.337 7.041 7.286 1.00 0.00 C ATOM 683 O GLN A1980 -3.879 6.266 6.442 1.00 0.00 O ATOM 684 CB GLN A1980 -3.314 9.350 7.224 1.00 0.00 C ATOM 685 CG GLN A1980 -4.523 10.294 7.106 1.00 0.00 C ATOM 686 CD GLN A1980 -4.048 11.720 6.798 1.00 0.00 C ATOM 687 OE1 GLN A1980 -3.096 12.212 7.411 1.00 0.00 O ATOM 688 NE2 GLN A1980 -4.651 12.403 5.847 1.00 0.00 N ATOM 0 H GLN A1980 -1.530 7.608 7.297 1.00 0.00 H new ATOM 0 HA GLN A1980 -3.885 8.272 8.960 1.00 0.00 H new ATOM 0 HB2 GLN A1980 -2.504 9.916 7.683 1.00 0.00 H new ATOM 0 HB3 GLN A1980 -2.996 9.102 6.211 1.00 0.00 H new ATOM 0 HG2 GLN A1980 -5.191 9.946 6.318 1.00 0.00 H new ATOM 0 HG3 GLN A1980 -5.094 10.285 8.034 1.00 0.00 H new ATOM 0 HE21 GLN A1980 -5.437 11.992 5.344 1.00 0.00 H new ATOM 0 HE22 GLN A1980 -4.332 13.343 5.614 1.00 0.00 H new ATOM 697 N LYS A1981 -5.605 7.029 7.680 1.00 0.00 N ATOM 698 CA LYS A1981 -6.572 6.099 7.119 1.00 0.00 C ATOM 699 C LYS A1981 -6.930 6.483 5.699 1.00 0.00 C ATOM 700 O LYS A1981 -7.332 7.617 5.481 1.00 0.00 O ATOM 701 CB LYS A1981 -7.847 6.056 7.975 1.00 0.00 C ATOM 702 CG LYS A1981 -7.620 5.918 9.487 1.00 0.00 C ATOM 703 CD LYS A1981 -6.875 4.642 9.898 1.00 0.00 C ATOM 704 CE LYS A1981 -5.936 4.898 11.080 1.00 0.00 C ATOM 705 NZ LYS A1981 -6.654 5.245 12.328 1.00 0.00 N ATOM 0 H LYS A1981 -5.986 7.656 8.388 1.00 0.00 H new ATOM 0 HA LYS A1981 -6.113 5.110 7.113 1.00 0.00 H new ATOM 0 HB2 LYS A1981 -8.418 6.966 7.792 1.00 0.00 H new ATOM 0 HB3 LYS A1981 -8.462 5.221 7.639 1.00 0.00 H new ATOM 0 HG2 LYS A1981 -7.057 6.783 9.839 1.00 0.00 H new ATOM 0 HG3 LYS A1981 -8.586 5.939 9.991 1.00 0.00 H new ATOM 0 HD2 LYS A1981 -7.595 3.869 10.165 1.00 0.00 H new ATOM 0 HD3 LYS A1981 -6.302 4.265 9.051 1.00 0.00 H new ATOM 0 HE2 LYS A1981 -5.328 4.010 11.253 1.00 0.00 H new ATOM 0 HE3 LYS A1981 -5.252 5.707 10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A1981 -5.966 5.407 13.091 1.00 0.00 H new ATOM 0 HZ2 LYS A1981 -7.214 6.109 12.178 1.00 0.00 H new ATOM 0 HZ3 LYS A1981 -7.287 4.464 12.593 1.00 0.00 H new ATOM 719 N PHE A1982 -6.905 5.546 4.753 1.00 0.00 N ATOM 720 CA PHE A1982 -7.257 5.808 3.366 1.00 0.00 C ATOM 721 C PHE A1982 -8.626 6.477 3.250 1.00 0.00 C ATOM 722 O PHE A1982 -8.805 7.328 2.388 1.00 0.00 O ATOM 723 CB PHE A1982 -7.266 4.509 2.567 1.00 0.00 C ATOM 724 CG PHE A1982 -6.017 3.676 2.634 1.00 0.00 C ATOM 725 CD1 PHE A1982 -4.779 4.278 2.377 1.00 0.00 C ATOM 726 CD2 PHE A1982 -6.094 2.302 2.918 1.00 0.00 C ATOM 727 CE1 PHE A1982 -3.609 3.515 2.459 1.00 0.00 C ATOM 728 CE2 PHE A1982 -4.921 1.532 2.959 1.00 0.00 C ATOM 729 CZ PHE A1982 -3.676 2.139 2.741 1.00 0.00 C ATOM 0 H PHE A1982 -6.638 4.578 4.933 1.00 0.00 H new ATOM 0 HA PHE A1982 -6.504 6.486 2.963 1.00 0.00 H new ATOM 0 HB2 PHE A1982 -8.102 3.901 2.913 1.00 0.00 H new ATOM 0 HB3 PHE A1982 -7.459 4.752 1.522 1.00 0.00 H new ATOM 0 HD1 PHE A1982 -4.728 5.325 2.117 1.00 0.00 H new ATOM 0 HD2 PHE A1982 -7.052 1.840 3.104 1.00 0.00 H new ATOM 0 HE1 PHE A1982 -2.649 3.985 2.305 1.00 0.00 H new ATOM 0 HE2 PHE A1982 -4.977 0.472 3.158 1.00 0.00 H new ATOM 0 HZ PHE A1982 -2.771 1.551 2.790 1.00 0.00 H new ATOM 739 N VAL A1983 -9.596 6.105 4.094 1.00 0.00 N ATOM 740 CA VAL A1983 -10.937 6.684 4.058 1.00 0.00 C ATOM 741 C VAL A1983 -10.889 8.209 4.211 1.00 0.00 C ATOM 742 O VAL A1983 -11.665 8.901 3.558 1.00 0.00 O ATOM 743 CB VAL A1983 -11.875 5.991 5.066 1.00 0.00 C ATOM 744 CG1 VAL A1983 -11.868 4.465 4.889 1.00 0.00 C ATOM 745 CG2 VAL A1983 -11.519 6.293 6.525 1.00 0.00 C ATOM 0 H VAL A1983 -9.471 5.397 4.817 1.00 0.00 H new ATOM 0 HA VAL A1983 -11.367 6.496 3.074 1.00 0.00 H new ATOM 0 HB VAL A1983 -12.864 6.396 4.852 1.00 0.00 H new ATOM 0 HG11 VAL A1983 -12.541 4.011 5.617 1.00 0.00 H new ATOM 0 HG12 VAL A1983 -12.200 4.214 3.882 1.00 0.00 H new ATOM 0 HG13 VAL A1983 -10.858 4.086 5.043 1.00 0.00 H new ATOM 0 HG21 VAL A1983 -12.216 5.776 7.184 1.00 0.00 H new ATOM 0 HG22 VAL A1983 -10.504 5.951 6.730 1.00 0.00 H new ATOM 0 HG23 VAL A1983 -11.583 7.367 6.700 1.00 0.00 H new ATOM 755 N ASP A1984 -9.960 8.726 5.024 1.00 0.00 N ATOM 756 CA ASP A1984 -9.782 10.158 5.253 1.00 0.00 C ATOM 757 C ASP A1984 -9.312 10.830 3.967 1.00 0.00 C ATOM 758 O ASP A1984 -9.766 11.930 3.643 1.00 0.00 O ATOM 759 CB ASP A1984 -8.806 10.382 6.427 1.00 0.00 C ATOM 760 CG ASP A1984 -8.270 11.806 6.591 1.00 0.00 C ATOM 761 OD1 ASP A1984 -7.420 12.241 5.788 1.00 0.00 O ATOM 762 OD2 ASP A1984 -8.552 12.428 7.645 1.00 0.00 O ATOM 0 H ASP A1984 -9.302 8.149 5.548 1.00 0.00 H new ATOM 0 HA ASP A1984 -10.732 10.615 5.530 1.00 0.00 H new ATOM 0 HB2 ASP A1984 -9.308 10.095 7.351 1.00 0.00 H new ATOM 0 HB3 ASP A1984 -7.958 9.708 6.303 1.00 0.00 H new ATOM 767 N LEU A1985 -8.448 10.146 3.211 1.00 0.00 N ATOM 768 CA LEU A1985 -7.934 10.654 1.945 1.00 0.00 C ATOM 769 C LEU A1985 -9.066 10.622 0.898 1.00 0.00 C ATOM 770 O LEU A1985 -9.013 11.358 -0.084 1.00 0.00 O ATOM 771 CB LEU A1985 -6.698 9.853 1.478 1.00 0.00 C ATOM 772 CG LEU A1985 -5.377 10.043 2.252 1.00 0.00 C ATOM 773 CD1 LEU A1985 -4.803 11.451 2.109 1.00 0.00 C ATOM 774 CD2 LEU A1985 -5.443 9.645 3.719 1.00 0.00 C ATOM 0 H LEU A1985 -8.088 9.226 3.463 1.00 0.00 H new ATOM 0 HA LEU A1985 -7.601 11.684 2.076 1.00 0.00 H new ATOM 0 HB2 LEU A1985 -6.955 8.794 1.510 1.00 0.00 H new ATOM 0 HB3 LEU A1985 -6.512 10.104 0.434 1.00 0.00 H new ATOM 0 HG LEU A1985 -4.694 9.343 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A1985 -3.874 11.525 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A1985 -4.605 11.658 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A1985 -5.520 12.177 2.493 1.00 0.00 H new ATOM 0 HD21 LEU A1985 -4.472 9.811 4.185 1.00 0.00 H new ATOM 0 HD22 LEU A1985 -6.197 10.248 4.226 1.00 0.00 H new ATOM 0 HD23 LEU A1985 -5.708 8.591 3.798 1.00 0.00 H new ATOM 786 N GLY A1986 -10.105 9.799 1.101 1.00 0.00 N ATOM 787 CA GLY A1986 -11.262 9.650 0.218 1.00 0.00 C ATOM 788 C GLY A1986 -11.533 8.206 -0.204 1.00 0.00 C ATOM 789 O GLY A1986 -12.269 7.977 -1.160 1.00 0.00 O ATOM 0 H GLY A1986 -10.161 9.195 1.921 1.00 0.00 H new ATOM 0 HA2 GLY A1986 -12.145 10.043 0.722 1.00 0.00 H new ATOM 0 HA3 GLY A1986 -11.107 10.257 -0.674 1.00 0.00 H new ATOM 793 N LEU A1987 -10.927 7.217 0.461 1.00 0.00 N ATOM 794 CA LEU A1987 -11.122 5.802 0.122 1.00 0.00 C ATOM 795 C LEU A1987 -12.518 5.401 0.504 1.00 0.00 C ATOM 796 O LEU A1987 -12.823 5.143 1.671 1.00 0.00 O ATOM 797 CB LEU A1987 -10.056 4.925 0.790 1.00 0.00 C ATOM 798 CG LEU A1987 -9.783 3.483 0.317 1.00 0.00 C ATOM 799 CD1 LEU A1987 -10.910 2.531 0.692 1.00 0.00 C ATOM 800 CD2 LEU A1987 -9.468 3.434 -1.187 1.00 0.00 C ATOM 0 H LEU A1987 -10.292 7.372 1.244 1.00 0.00 H new ATOM 0 HA LEU A1987 -11.004 5.656 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A1987 -9.112 5.465 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A1987 -10.311 4.868 1.848 1.00 0.00 H new ATOM 0 HG LEU A1987 -8.895 3.137 0.847 1.00 0.00 H new ATOM 0 HD11 LEU A1987 -10.672 1.528 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A1987 -11.027 2.515 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A1987 -11.839 2.868 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A1987 -9.281 2.403 -1.486 1.00 0.00 H new ATOM 0 HD22 LEU A1987 -10.315 3.827 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A1987 -8.584 4.038 -1.394 1.00 0.00 H new ATOM 812 N ASP A1988 -13.356 5.267 -0.510 1.00 0.00 N ATOM 813 CA ASP A1988 -14.721 4.875 -0.273 1.00 0.00 C ATOM 814 C ASP A1988 -14.758 3.364 -0.347 1.00 0.00 C ATOM 815 O ASP A1988 -13.881 2.727 -0.934 1.00 0.00 O ATOM 816 CB ASP A1988 -15.665 5.385 -1.344 1.00 0.00 C ATOM 817 CG ASP A1988 -15.900 6.889 -1.346 1.00 0.00 C ATOM 818 OD1 ASP A1988 -16.451 7.399 -0.338 1.00 0.00 O ATOM 819 OD2 ASP A1988 -15.636 7.516 -2.393 1.00 0.00 O ATOM 0 H ASP A1988 -13.114 5.423 -1.488 1.00 0.00 H new ATOM 0 HA ASP A1988 -15.035 5.282 0.688 1.00 0.00 H new ATOM 0 HB2 ASP A1988 -15.272 5.095 -2.318 1.00 0.00 H new ATOM 0 HB3 ASP A1988 -16.626 4.885 -1.225 1.00 0.00 H new ATOM 824 N SER A1989 -15.817 2.803 0.215 1.00 0.00 N ATOM 825 CA SER A1989 -16.017 1.372 0.273 1.00 0.00 C ATOM 826 C SER A1989 -15.898 0.672 -1.088 1.00 0.00 C ATOM 827 O SER A1989 -15.564 -0.511 -1.130 1.00 0.00 O ATOM 828 CB SER A1989 -17.372 1.112 0.917 1.00 0.00 C ATOM 829 OG SER A1989 -17.257 -0.048 1.711 1.00 0.00 O ATOM 0 H SER A1989 -16.569 3.340 0.648 1.00 0.00 H new ATOM 0 HA SER A1989 -15.215 0.940 0.872 1.00 0.00 H new ATOM 0 HB2 SER A1989 -17.675 1.963 1.526 1.00 0.00 H new ATOM 0 HB3 SER A1989 -18.138 0.978 0.154 1.00 0.00 H new ATOM 0 HG SER A1989 -18.118 -0.238 2.140 1.00 0.00 H new ATOM 834 N ILE A1990 -16.295 1.318 -2.190 1.00 0.00 N ATOM 835 CA ILE A1990 -16.201 0.728 -3.516 1.00 0.00 C ATOM 836 C ILE A1990 -14.747 0.826 -3.984 1.00 0.00 C ATOM 837 O ILE A1990 -14.168 -0.143 -4.469 1.00 0.00 O ATOM 838 CB ILE A1990 -17.182 1.456 -4.465 1.00 0.00 C ATOM 839 CG1 ILE A1990 -18.628 1.101 -4.057 1.00 0.00 C ATOM 840 CG2 ILE A1990 -16.933 1.094 -5.936 1.00 0.00 C ATOM 841 CD1 ILE A1990 -19.682 2.018 -4.680 1.00 0.00 C ATOM 0 H ILE A1990 -16.688 2.259 -2.181 1.00 0.00 H new ATOM 0 HA ILE A1990 -16.482 -0.325 -3.508 1.00 0.00 H new ATOM 0 HB ILE A1990 -17.021 2.530 -4.373 1.00 0.00 H new ATOM 0 HG12 ILE A1990 -18.836 0.071 -4.348 1.00 0.00 H new ATOM 0 HG13 ILE A1990 -18.713 1.149 -2.971 1.00 0.00 H new ATOM 0 HG21 ILE A1990 -17.644 1.627 -6.567 1.00 0.00 H new ATOM 0 HG22 ILE A1990 -15.918 1.377 -6.214 1.00 0.00 H new ATOM 0 HG23 ILE A1990 -17.061 0.020 -6.073 1.00 0.00 H new ATOM 0 HD11 ILE A1990 -20.674 1.710 -4.349 1.00 0.00 H new ATOM 0 HD12 ILE A1990 -19.499 3.046 -4.369 1.00 0.00 H new ATOM 0 HD13 ILE A1990 -19.625 1.952 -5.767 1.00 0.00 H new ATOM 853 N VAL A1991 -14.149 2.007 -3.828 1.00 0.00 N ATOM 854 CA VAL A1991 -12.778 2.271 -4.223 1.00 0.00 C ATOM 855 C VAL A1991 -11.822 1.309 -3.502 1.00 0.00 C ATOM 856 O VAL A1991 -10.827 0.885 -4.085 1.00 0.00 O ATOM 857 CB VAL A1991 -12.440 3.756 -3.997 1.00 0.00 C ATOM 858 CG1 VAL A1991 -11.085 4.095 -4.617 1.00 0.00 C ATOM 859 CG2 VAL A1991 -13.469 4.687 -4.661 1.00 0.00 C ATOM 0 H VAL A1991 -14.616 2.815 -3.417 1.00 0.00 H new ATOM 0 HA VAL A1991 -12.654 2.083 -5.290 1.00 0.00 H new ATOM 0 HB VAL A1991 -12.438 3.907 -2.917 1.00 0.00 H new ATOM 0 HG11 VAL A1991 -10.861 5.148 -4.448 1.00 0.00 H new ATOM 0 HG12 VAL A1991 -10.311 3.481 -4.157 1.00 0.00 H new ATOM 0 HG13 VAL A1991 -11.116 3.898 -5.689 1.00 0.00 H new ATOM 0 HG21 VAL A1991 -13.192 5.725 -4.477 1.00 0.00 H new ATOM 0 HG22 VAL A1991 -13.488 4.501 -5.735 1.00 0.00 H new ATOM 0 HG23 VAL A1991 -14.457 4.495 -4.242 1.00 0.00 H new ATOM 869 N GLY A1992 -12.126 0.893 -2.267 1.00 0.00 N ATOM 870 CA GLY A1992 -11.265 0.001 -1.526 1.00 0.00 C ATOM 871 C GLY A1992 -11.242 -1.390 -2.140 1.00 0.00 C ATOM 872 O GLY A1992 -10.170 -1.977 -2.304 1.00 0.00 O ATOM 0 H GLY A1992 -12.971 1.170 -1.768 1.00 0.00 H new ATOM 0 HA2 GLY A1992 -10.253 0.406 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A1992 -11.607 -0.062 -0.493 1.00 0.00 H new ATOM 876 N VAL A1993 -12.412 -1.928 -2.492 1.00 0.00 N ATOM 877 CA VAL A1993 -12.478 -3.254 -3.078 1.00 0.00 C ATOM 878 C VAL A1993 -11.835 -3.287 -4.463 1.00 0.00 C ATOM 879 O VAL A1993 -11.195 -4.282 -4.790 1.00 0.00 O ATOM 880 CB VAL A1993 -13.928 -3.784 -3.058 1.00 0.00 C ATOM 881 CG1 VAL A1993 -14.944 -2.973 -3.847 1.00 0.00 C ATOM 882 CG2 VAL A1993 -13.985 -5.232 -3.547 1.00 0.00 C ATOM 0 H VAL A1993 -13.314 -1.465 -2.380 1.00 0.00 H new ATOM 0 HA VAL A1993 -11.889 -3.938 -2.467 1.00 0.00 H new ATOM 0 HB VAL A1993 -14.216 -3.698 -2.010 1.00 0.00 H new ATOM 0 HG11 VAL A1993 -15.926 -3.438 -3.762 1.00 0.00 H new ATOM 0 HG12 VAL A1993 -14.987 -1.959 -3.450 1.00 0.00 H new ATOM 0 HG13 VAL A1993 -14.648 -2.940 -4.896 1.00 0.00 H new ATOM 0 HG21 VAL A1993 -15.017 -5.583 -3.524 1.00 0.00 H new ATOM 0 HG22 VAL A1993 -13.606 -5.287 -4.567 1.00 0.00 H new ATOM 0 HG23 VAL A1993 -13.373 -5.859 -2.899 1.00 0.00 H new ATOM 892 N GLU A1994 -11.972 -2.241 -5.277 1.00 0.00 N ATOM 893 CA GLU A1994 -11.370 -2.263 -6.603 1.00 0.00 C ATOM 894 C GLU A1994 -9.857 -2.043 -6.540 1.00 0.00 C ATOM 895 O GLU A1994 -9.111 -2.719 -7.251 1.00 0.00 O ATOM 896 CB GLU A1994 -12.091 -1.290 -7.532 1.00 0.00 C ATOM 897 CG GLU A1994 -11.956 0.190 -7.183 1.00 0.00 C ATOM 898 CD GLU A1994 -12.377 1.074 -8.353 1.00 0.00 C ATOM 899 OE1 GLU A1994 -13.469 0.848 -8.923 1.00 0.00 O ATOM 900 OE2 GLU A1994 -11.591 1.977 -8.724 1.00 0.00 O ATOM 0 H GLU A1994 -12.482 -1.388 -5.047 1.00 0.00 H new ATOM 0 HA GLU A1994 -11.499 -3.257 -7.031 1.00 0.00 H new ATOM 0 HB2 GLU A1994 -11.717 -1.440 -8.545 1.00 0.00 H new ATOM 0 HB3 GLU A1994 -13.151 -1.546 -7.543 1.00 0.00 H new ATOM 0 HG2 GLU A1994 -12.570 0.418 -6.312 1.00 0.00 H new ATOM 0 HG3 GLU A1994 -10.923 0.409 -6.911 1.00 0.00 H new ATOM 907 N TRP A1995 -9.391 -1.155 -5.657 1.00 0.00 N ATOM 908 CA TRP A1995 -7.970 -0.855 -5.503 1.00 0.00 C ATOM 909 C TRP A1995 -7.222 -2.076 -4.980 1.00 0.00 C ATOM 910 O TRP A1995 -6.088 -2.332 -5.392 1.00 0.00 O ATOM 911 CB TRP A1995 -7.776 0.349 -4.581 1.00 0.00 C ATOM 912 CG TRP A1995 -6.381 0.895 -4.504 1.00 0.00 C ATOM 913 CD1 TRP A1995 -5.537 1.110 -5.538 1.00 0.00 C ATOM 914 CD2 TRP A1995 -5.626 1.249 -3.313 1.00 0.00 C ATOM 915 NE1 TRP A1995 -4.324 1.552 -5.051 1.00 0.00 N ATOM 916 CE2 TRP A1995 -4.280 1.533 -3.672 1.00 0.00 C ATOM 917 CE3 TRP A1995 -5.948 1.257 -1.945 1.00 0.00 C ATOM 918 CZ2 TRP A1995 -3.281 1.744 -2.702 1.00 0.00 C ATOM 919 CZ3 TRP A1995 -4.955 1.403 -0.960 1.00 0.00 C ATOM 920 CH2 TRP A1995 -3.622 1.645 -1.339 1.00 0.00 C ATOM 0 H TRP A1995 -9.993 -0.624 -5.028 1.00 0.00 H new ATOM 0 HA TRP A1995 -7.557 -0.601 -6.479 1.00 0.00 H new ATOM 0 HB2 TRP A1995 -8.440 1.147 -4.912 1.00 0.00 H new ATOM 0 HB3 TRP A1995 -8.092 0.068 -3.576 1.00 0.00 H new ATOM 0 HD1 TRP A1995 -5.775 0.960 -6.581 1.00 0.00 H new ATOM 0 HE1 TRP A1995 -3.550 1.857 -5.641 1.00 0.00 H new ATOM 0 HE3 TRP A1995 -6.980 1.149 -1.644 1.00 0.00 H new ATOM 0 HZ2 TRP A1995 -2.269 1.978 -2.999 1.00 0.00 H new ATOM 0 HZ3 TRP A1995 -5.215 1.329 0.086 1.00 0.00 H new ATOM 0 HH2 TRP A1995 -2.858 1.755 -0.583 1.00 0.00 H new ATOM 931 N THR A1996 -7.850 -2.881 -4.113 1.00 0.00 N ATOM 932 CA THR A1996 -7.210 -4.086 -3.593 1.00 0.00 C ATOM 933 C THR A1996 -6.765 -5.010 -4.745 1.00 0.00 C ATOM 934 O THR A1996 -5.805 -5.770 -4.608 1.00 0.00 O ATOM 935 CB THR A1996 -8.155 -4.760 -2.586 1.00 0.00 C ATOM 936 OG1 THR A1996 -7.429 -5.293 -1.500 1.00 0.00 O ATOM 937 CG2 THR A1996 -9.004 -5.877 -3.191 1.00 0.00 C ATOM 0 H THR A1996 -8.794 -2.718 -3.762 1.00 0.00 H new ATOM 0 HA THR A1996 -6.295 -3.832 -3.057 1.00 0.00 H new ATOM 0 HB THR A1996 -8.830 -3.971 -2.255 1.00 0.00 H new ATOM 0 HG1 THR A1996 -7.579 -6.260 -1.450 1.00 0.00 H new ATOM 0 HG21 THR A1996 -9.645 -6.305 -2.420 1.00 0.00 H new ATOM 0 HG22 THR A1996 -9.621 -5.471 -3.993 1.00 0.00 H new ATOM 0 HG23 THR A1996 -8.352 -6.653 -3.592 1.00 0.00 H new ATOM 945 N THR A1997 -7.465 -4.973 -5.884 1.00 0.00 N ATOM 946 CA THR A1997 -7.138 -5.805 -7.027 1.00 0.00 C ATOM 947 C THR A1997 -5.858 -5.323 -7.705 1.00 0.00 C ATOM 948 O THR A1997 -5.029 -6.154 -8.069 1.00 0.00 O ATOM 949 CB THR A1997 -8.325 -5.825 -7.997 1.00 0.00 C ATOM 950 OG1 THR A1997 -9.485 -6.264 -7.307 1.00 0.00 O ATOM 951 CG2 THR A1997 -8.072 -6.750 -9.189 1.00 0.00 C ATOM 0 H THR A1997 -8.270 -4.364 -6.031 1.00 0.00 H new ATOM 0 HA THR A1997 -6.950 -6.825 -6.690 1.00 0.00 H new ATOM 0 HB THR A1997 -8.462 -4.813 -8.379 1.00 0.00 H new ATOM 0 HG1 THR A1997 -10.247 -6.277 -7.923 1.00 0.00 H new ATOM 0 HG21 THR A1997 -8.937 -6.735 -9.851 1.00 0.00 H new ATOM 0 HG22 THR A1997 -7.192 -6.409 -9.734 1.00 0.00 H new ATOM 0 HG23 THR A1997 -7.906 -7.766 -8.832 1.00 0.00 H new ATOM 959 N THR A1998 -5.643 -4.013 -7.814 1.00 0.00 N ATOM 960 CA THR A1998 -4.477 -3.424 -8.462 1.00 0.00 C ATOM 961 C THR A1998 -3.199 -3.970 -7.830 1.00 0.00 C ATOM 962 O THR A1998 -2.251 -4.356 -8.515 1.00 0.00 O ATOM 963 CB THR A1998 -4.572 -1.891 -8.332 1.00 0.00 C ATOM 964 OG1 THR A1998 -5.905 -1.470 -8.549 1.00 0.00 O ATOM 965 CG2 THR A1998 -3.648 -1.174 -9.317 1.00 0.00 C ATOM 0 H THR A1998 -6.291 -3.317 -7.445 1.00 0.00 H new ATOM 0 HA THR A1998 -4.450 -3.685 -9.520 1.00 0.00 H new ATOM 0 HB THR A1998 -4.256 -1.630 -7.322 1.00 0.00 H new ATOM 0 HG1 THR A1998 -5.958 -0.495 -8.463 1.00 0.00 H new ATOM 0 HG21 THR A1998 -3.747 -0.096 -9.190 1.00 0.00 H new ATOM 0 HG22 THR A1998 -2.616 -1.468 -9.127 1.00 0.00 H new ATOM 0 HG23 THR A1998 -3.921 -1.446 -10.336 1.00 0.00 H new ATOM 973 N ILE A1999 -3.193 -4.072 -6.505 1.00 0.00 N ATOM 974 CA ILE A1999 -2.075 -4.573 -5.727 1.00 0.00 C ATOM 975 C ILE A1999 -1.816 -6.046 -6.040 1.00 0.00 C ATOM 976 O ILE A1999 -0.658 -6.468 -6.091 1.00 0.00 O ATOM 977 CB ILE A1999 -2.412 -4.357 -4.245 1.00 0.00 C ATOM 978 CG1 ILE A1999 -2.473 -2.843 -3.953 1.00 0.00 C ATOM 979 CG2 ILE A1999 -1.400 -5.030 -3.311 1.00 0.00 C ATOM 980 CD1 ILE A1999 -3.084 -2.575 -2.587 1.00 0.00 C ATOM 0 H ILE A1999 -3.990 -3.800 -5.930 1.00 0.00 H new ATOM 0 HA ILE A1999 -1.159 -4.039 -5.978 1.00 0.00 H new ATOM 0 HB ILE A1999 -3.380 -4.819 -4.053 1.00 0.00 H new ATOM 0 HG12 ILE A1999 -1.469 -2.420 -3.995 1.00 0.00 H new ATOM 0 HG13 ILE A1999 -3.062 -2.344 -4.723 1.00 0.00 H new ATOM 0 HG21 ILE A1999 -1.684 -4.847 -2.275 1.00 0.00 H new ATOM 0 HG22 ILE A1999 -1.388 -6.103 -3.500 1.00 0.00 H new ATOM 0 HG23 ILE A1999 -0.407 -4.619 -3.493 1.00 0.00 H new ATOM 0 HD11 ILE A1999 -3.115 -1.500 -2.407 1.00 0.00 H new ATOM 0 HD12 ILE A1999 -4.097 -2.977 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A1999 -2.479 -3.055 -1.817 1.00 0.00 H new ATOM 992 N ASN A2000 -2.876 -6.837 -6.220 1.00 0.00 N ATOM 993 CA ASN A2000 -2.735 -8.253 -6.511 1.00 0.00 C ATOM 994 C ASN A2000 -2.040 -8.408 -7.840 1.00 0.00 C ATOM 995 O ASN A2000 -1.133 -9.220 -7.952 1.00 0.00 O ATOM 996 CB ASN A2000 -4.086 -8.957 -6.642 1.00 0.00 C ATOM 997 CG ASN A2000 -4.866 -8.963 -5.362 1.00 0.00 C ATOM 998 OD1 ASN A2000 -4.300 -8.971 -4.281 1.00 0.00 O ATOM 999 ND2 ASN A2000 -6.180 -8.992 -5.457 1.00 0.00 N ATOM 0 H ASN A2000 -3.842 -6.513 -6.168 1.00 0.00 H new ATOM 0 HA ASN A2000 -2.176 -8.696 -5.686 1.00 0.00 H new ATOM 0 HB2 ASN A2000 -4.673 -8.465 -7.417 1.00 0.00 H new ATOM 0 HB3 ASN A2000 -3.925 -9.984 -6.968 1.00 0.00 H new ATOM 0 HD21 ASN A2000 -6.752 -9.022 -4.613 1.00 0.00 H new ATOM 0 HD22 ASN A2000 -6.625 -8.984 -6.375 1.00 0.00 H new ATOM 1006 N GLN A2001 -2.488 -7.644 -8.835 1.00 0.00 N ATOM 1007 CA GLN A2001 -1.925 -7.681 -10.171 1.00 0.00 C ATOM 1008 C GLN A2001 -0.473 -7.211 -10.108 1.00 0.00 C ATOM 1009 O GLN A2001 0.392 -7.808 -10.750 1.00 0.00 O ATOM 1010 CB GLN A2001 -2.762 -6.822 -11.135 1.00 0.00 C ATOM 1011 CG GLN A2001 -4.258 -7.182 -11.135 1.00 0.00 C ATOM 1012 CD GLN A2001 -4.955 -6.800 -12.437 1.00 0.00 C ATOM 1013 OE1 GLN A2001 -4.729 -5.730 -12.989 1.00 0.00 O ATOM 1014 NE2 GLN A2001 -5.799 -7.658 -12.988 1.00 0.00 N ATOM 0 H GLN A2001 -3.256 -6.981 -8.730 1.00 0.00 H new ATOM 0 HA GLN A2001 -1.946 -8.701 -10.555 1.00 0.00 H new ATOM 0 HB2 GLN A2001 -2.649 -5.772 -10.865 1.00 0.00 H new ATOM 0 HB3 GLN A2001 -2.369 -6.936 -12.145 1.00 0.00 H new ATOM 0 HG2 GLN A2001 -4.370 -8.253 -10.969 1.00 0.00 H new ATOM 0 HG3 GLN A2001 -4.749 -6.677 -10.303 1.00 0.00 H new ATOM 0 HE21 GLN A2001 -5.990 -8.550 -12.532 1.00 0.00 H new ATOM 0 HE22 GLN A2001 -6.258 -7.427 -13.869 1.00 0.00 H new ATOM 1023 N THR A2002 -0.188 -6.204 -9.275 1.00 0.00 N ATOM 1024 CA THR A2002 1.147 -5.659 -9.136 1.00 0.00 C ATOM 1025 C THR A2002 2.144 -6.690 -8.602 1.00 0.00 C ATOM 1026 O THR A2002 3.227 -6.840 -9.167 1.00 0.00 O ATOM 1027 CB THR A2002 1.164 -4.441 -8.187 1.00 0.00 C ATOM 1028 OG1 THR A2002 0.244 -3.421 -8.522 1.00 0.00 O ATOM 1029 CG2 THR A2002 2.547 -3.774 -8.153 1.00 0.00 C ATOM 0 H THR A2002 -0.884 -5.751 -8.683 1.00 0.00 H new ATOM 0 HA THR A2002 1.447 -5.357 -10.140 1.00 0.00 H new ATOM 0 HB THR A2002 0.886 -4.867 -7.223 1.00 0.00 H new ATOM 0 HG1 THR A2002 -0.645 -3.660 -8.187 1.00 0.00 H new ATOM 0 HG21 THR A2002 2.523 -2.921 -7.475 1.00 0.00 H new ATOM 0 HG22 THR A2002 3.289 -4.493 -7.805 1.00 0.00 H new ATOM 0 HG23 THR A2002 2.812 -3.435 -9.154 1.00 0.00 H new ATOM 1037 N TYR A2003 1.787 -7.408 -7.532 1.00 0.00 N ATOM 1038 CA TYR A2003 2.675 -8.368 -6.885 1.00 0.00 C ATOM 1039 C TYR A2003 2.399 -9.850 -7.132 1.00 0.00 C ATOM 1040 O TYR A2003 3.144 -10.673 -6.604 1.00 0.00 O ATOM 1041 CB TYR A2003 2.700 -8.022 -5.391 1.00 0.00 C ATOM 1042 CG TYR A2003 3.207 -6.622 -5.109 1.00 0.00 C ATOM 1043 CD1 TYR A2003 4.539 -6.294 -5.416 1.00 0.00 C ATOM 1044 CD2 TYR A2003 2.358 -5.655 -4.538 1.00 0.00 C ATOM 1045 CE1 TYR A2003 5.048 -5.028 -5.093 1.00 0.00 C ATOM 1046 CE2 TYR A2003 2.862 -4.384 -4.204 1.00 0.00 C ATOM 1047 CZ TYR A2003 4.219 -4.080 -4.461 1.00 0.00 C ATOM 1048 OH TYR A2003 4.740 -2.886 -4.081 1.00 0.00 O ATOM 0 H TYR A2003 0.870 -7.336 -7.092 1.00 0.00 H new ATOM 0 HA TYR A2003 3.654 -8.258 -7.352 1.00 0.00 H new ATOM 0 HB2 TYR A2003 1.694 -8.126 -4.984 1.00 0.00 H new ATOM 0 HB3 TYR A2003 3.331 -8.742 -4.869 1.00 0.00 H new ATOM 0 HD1 TYR A2003 5.173 -7.020 -5.903 1.00 0.00 H new ATOM 0 HD2 TYR A2003 1.319 -5.889 -4.356 1.00 0.00 H new ATOM 0 HE1 TYR A2003 6.073 -4.780 -5.328 1.00 0.00 H new ATOM 0 HE2 TYR A2003 2.216 -3.645 -3.754 1.00 0.00 H new ATOM 0 HH TYR A2003 5.606 -2.752 -4.520 1.00 0.00 H new ATOM 1058 N ASN A2004 1.418 -10.190 -7.970 1.00 0.00 N ATOM 1059 CA ASN A2004 1.004 -11.559 -8.301 1.00 0.00 C ATOM 1060 C ASN A2004 0.448 -12.255 -7.045 1.00 0.00 C ATOM 1061 O ASN A2004 0.716 -13.426 -6.778 1.00 0.00 O ATOM 1062 CB ASN A2004 2.150 -12.325 -8.996 1.00 0.00 C ATOM 1063 CG ASN A2004 1.628 -13.513 -9.791 1.00 0.00 C ATOM 1064 OD1 ASN A2004 1.446 -13.434 -11.003 1.00 0.00 O ATOM 1065 ND2 ASN A2004 1.386 -14.642 -9.158 1.00 0.00 N ATOM 0 H ASN A2004 0.864 -9.488 -8.460 1.00 0.00 H new ATOM 0 HA ASN A2004 0.190 -11.540 -9.026 1.00 0.00 H new ATOM 0 HB2 ASN A2004 2.689 -11.650 -9.661 1.00 0.00 H new ATOM 0 HB3 ASN A2004 2.863 -12.672 -8.248 1.00 0.00 H new ATOM 0 HD21 ASN A2004 1.047 -15.454 -9.674 1.00 0.00 H new ATOM 0 HD22 ASN A2004 1.538 -14.705 -8.151 1.00 0.00 H new ATOM 1072 N LEU A2005 -0.296 -11.515 -6.218 1.00 0.00 N ATOM 1073 CA LEU A2005 -0.879 -12.010 -4.969 1.00 0.00 C ATOM 1074 C LEU A2005 -2.391 -12.166 -5.095 1.00 0.00 C ATOM 1075 O LEU A2005 -2.952 -12.030 -6.179 1.00 0.00 O ATOM 1076 CB LEU A2005 -0.474 -11.099 -3.795 1.00 0.00 C ATOM 1077 CG LEU A2005 1.045 -10.868 -3.670 1.00 0.00 C ATOM 1078 CD1 LEU A2005 1.324 -10.034 -2.420 1.00 0.00 C ATOM 1079 CD2 LEU A2005 1.864 -12.162 -3.633 1.00 0.00 C ATOM 0 H LEU A2005 -0.514 -10.536 -6.402 1.00 0.00 H new ATOM 0 HA LEU A2005 -0.482 -13.004 -4.761 1.00 0.00 H new ATOM 0 HB2 LEU A2005 -0.969 -10.135 -3.911 1.00 0.00 H new ATOM 0 HB3 LEU A2005 -0.841 -11.536 -2.867 1.00 0.00 H new ATOM 0 HG LEU A2005 1.362 -10.338 -4.568 1.00 0.00 H new ATOM 0 HD11 LEU A2005 2.397 -9.867 -2.326 1.00 0.00 H new ATOM 0 HD12 LEU A2005 0.813 -9.074 -2.501 1.00 0.00 H new ATOM 0 HD13 LEU A2005 0.961 -10.565 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU A2005 2.923 -11.920 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A2005 1.556 -12.763 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A2005 1.696 -12.725 -4.551 1.00 0.00 H new ATOM 1091 N ASN A2006 -3.067 -12.467 -3.989 1.00 0.00 N ATOM 1092 CA ASN A2006 -4.509 -12.658 -3.895 1.00 0.00 C ATOM 1093 C ASN A2006 -4.967 -11.985 -2.609 1.00 0.00 C ATOM 1094 O ASN A2006 -4.706 -12.460 -1.507 1.00 0.00 O ATOM 1095 CB ASN A2006 -4.858 -14.160 -3.919 1.00 0.00 C ATOM 1096 CG ASN A2006 -4.196 -15.001 -2.822 1.00 0.00 C ATOM 1097 OD1 ASN A2006 -2.985 -14.963 -2.642 1.00 0.00 O ATOM 1098 ND2 ASN A2006 -4.943 -15.809 -2.090 1.00 0.00 N ATOM 0 H ASN A2006 -2.599 -12.590 -3.091 1.00 0.00 H new ATOM 0 HA ASN A2006 -5.023 -12.212 -4.746 1.00 0.00 H new ATOM 0 HB2 ASN A2006 -5.939 -14.267 -3.834 1.00 0.00 H new ATOM 0 HB3 ASN A2006 -4.573 -14.568 -4.889 1.00 0.00 H new ATOM 0 HD21 ASN A2006 -4.511 -16.398 -1.378 1.00 0.00 H new ATOM 0 HD22 ASN A2006 -5.952 -15.844 -2.237 1.00 0.00 H new ATOM 1105 N LEU A2007 -5.736 -10.909 -2.745 1.00 0.00 N ATOM 1106 CA LEU A2007 -6.262 -10.089 -1.661 1.00 0.00 C ATOM 1107 C LEU A2007 -7.586 -9.509 -2.101 1.00 0.00 C ATOM 1108 O LEU A2007 -7.946 -9.477 -3.286 1.00 0.00 O ATOM 1109 CB LEU A2007 -5.302 -8.914 -1.355 1.00 0.00 C ATOM 1110 CG LEU A2007 -3.794 -9.221 -1.187 1.00 0.00 C ATOM 1111 CD1 LEU A2007 -2.977 -7.930 -1.307 1.00 0.00 C ATOM 1112 CD2 LEU A2007 -3.472 -9.885 0.151 1.00 0.00 C ATOM 0 H LEU A2007 -6.023 -10.569 -3.663 1.00 0.00 H new ATOM 0 HA LEU A2007 -6.374 -10.707 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A2007 -5.405 -8.183 -2.157 1.00 0.00 H new ATOM 0 HB3 LEU A2007 -5.647 -8.433 -0.440 1.00 0.00 H new ATOM 0 HG LEU A2007 -3.529 -9.919 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A2007 -1.918 -8.157 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A2007 -3.144 -7.484 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A2007 -3.288 -7.229 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A2007 -2.401 -10.077 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A2007 -3.771 -9.225 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A2007 -4.015 -10.827 0.230 1.00 0.00 H new ATOM 1124 N LYS A2008 -8.325 -9.094 -1.087 1.00 0.00 N ATOM 1125 CA LYS A2008 -9.643 -8.519 -1.166 1.00 0.00 C ATOM 1126 C LYS A2008 -9.795 -7.331 -0.246 1.00 0.00 C ATOM 1127 O LYS A2008 -8.894 -7.021 0.527 1.00 0.00 O ATOM 1128 CB LYS A2008 -10.665 -9.605 -0.869 1.00 0.00 C ATOM 1129 CG LYS A2008 -10.231 -10.792 0.002 1.00 0.00 C ATOM 1130 CD LYS A2008 -11.362 -11.138 0.947 1.00 0.00 C ATOM 1131 CE LYS A2008 -12.531 -11.767 0.177 1.00 0.00 C ATOM 1132 NZ LYS A2008 -13.597 -12.245 1.073 1.00 0.00 N ATOM 0 H LYS A2008 -7.991 -9.157 -0.125 1.00 0.00 H new ATOM 0 HA LYS A2008 -9.810 -8.136 -2.173 1.00 0.00 H new ATOM 0 HB2 LYS A2008 -11.521 -9.133 -0.386 1.00 0.00 H new ATOM 0 HB3 LYS A2008 -11.015 -10.002 -1.822 1.00 0.00 H new ATOM 0 HG2 LYS A2008 -9.985 -11.650 -0.624 1.00 0.00 H new ATOM 0 HG3 LYS A2008 -9.332 -10.540 0.564 1.00 0.00 H new ATOM 0 HD2 LYS A2008 -11.007 -11.830 1.711 1.00 0.00 H new ATOM 0 HD3 LYS A2008 -11.700 -10.240 1.463 1.00 0.00 H new ATOM 0 HE2 LYS A2008 -12.943 -11.034 -0.516 1.00 0.00 H new ATOM 0 HE3 LYS A2008 -12.162 -12.600 -0.422 1.00 0.00 H new ATOM 0 HZ1 LYS A2008 -14.364 -12.662 0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A2008 -13.212 -12.964 1.718 1.00 0.00 H new ATOM 0 HZ3 LYS A2008 -13.969 -11.447 1.627 1.00 0.00 H new ATOM 1146 N ALA A2009 -10.995 -6.752 -0.277 1.00 0.00 N ATOM 1147 CA ALA A2009 -11.423 -5.600 0.510 1.00 0.00 C ATOM 1148 C ALA A2009 -11.123 -5.772 2.002 1.00 0.00 C ATOM 1149 O ALA A2009 -10.911 -4.781 2.692 1.00 0.00 O ATOM 1150 CB ALA A2009 -12.914 -5.408 0.296 1.00 0.00 C ATOM 0 H ALA A2009 -11.736 -7.096 -0.888 1.00 0.00 H new ATOM 0 HA ALA A2009 -10.866 -4.724 0.178 1.00 0.00 H new ATOM 0 HB1 ALA A2009 -13.257 -4.551 0.875 1.00 0.00 H new ATOM 0 HB2 ALA A2009 -13.110 -5.233 -0.762 1.00 0.00 H new ATOM 0 HB3 ALA A2009 -13.446 -6.302 0.621 1.00 0.00 H new ATOM 1156 N THR A2010 -11.044 -7.017 2.490 1.00 0.00 N ATOM 1157 CA THR A2010 -10.723 -7.330 3.879 1.00 0.00 C ATOM 1158 C THR A2010 -9.394 -6.636 4.207 1.00 0.00 C ATOM 1159 O THR A2010 -9.236 -6.100 5.297 1.00 0.00 O ATOM 1160 CB THR A2010 -10.682 -8.870 4.026 1.00 0.00 C ATOM 1161 OG1 THR A2010 -10.597 -9.365 5.338 1.00 0.00 O ATOM 1162 CG2 THR A2010 -9.515 -9.525 3.280 1.00 0.00 C ATOM 0 H THR A2010 -11.205 -7.845 1.917 1.00 0.00 H new ATOM 0 HA THR A2010 -11.466 -6.967 4.589 1.00 0.00 H new ATOM 0 HB THR A2010 -11.650 -9.132 3.598 1.00 0.00 H new ATOM 0 HG1 THR A2010 -10.579 -10.345 5.318 1.00 0.00 H new ATOM 0 HG21 THR A2010 -9.549 -10.604 3.427 1.00 0.00 H new ATOM 0 HG22 THR A2010 -9.592 -9.301 2.216 1.00 0.00 H new ATOM 0 HG23 THR A2010 -8.573 -9.136 3.665 1.00 0.00 H new ATOM 1170 N LYS A2011 -8.452 -6.574 3.252 1.00 0.00 N ATOM 1171 CA LYS A2011 -7.172 -5.909 3.495 1.00 0.00 C ATOM 1172 C LYS A2011 -7.354 -4.413 3.755 1.00 0.00 C ATOM 1173 O LYS A2011 -6.714 -3.883 4.652 1.00 0.00 O ATOM 1174 CB LYS A2011 -6.226 -6.108 2.311 1.00 0.00 C ATOM 1175 CG LYS A2011 -5.709 -7.539 2.167 1.00 0.00 C ATOM 1176 CD LYS A2011 -4.973 -8.083 3.402 1.00 0.00 C ATOM 1177 CE LYS A2011 -5.742 -9.233 4.060 1.00 0.00 C ATOM 1178 NZ LYS A2011 -4.966 -9.974 5.076 1.00 0.00 N ATOM 0 H LYS A2011 -8.555 -6.972 2.318 1.00 0.00 H new ATOM 0 HA LYS A2011 -6.738 -6.364 4.386 1.00 0.00 H new ATOM 0 HB2 LYS A2011 -6.742 -5.824 1.394 1.00 0.00 H new ATOM 0 HB3 LYS A2011 -5.376 -5.434 2.420 1.00 0.00 H new ATOM 0 HG2 LYS A2011 -6.551 -8.194 1.945 1.00 0.00 H new ATOM 0 HG3 LYS A2011 -5.036 -7.583 1.311 1.00 0.00 H new ATOM 0 HD2 LYS A2011 -3.981 -8.428 3.111 1.00 0.00 H new ATOM 0 HD3 LYS A2011 -4.832 -7.279 4.125 1.00 0.00 H new ATOM 0 HE2 LYS A2011 -6.643 -8.834 4.526 1.00 0.00 H new ATOM 0 HE3 LYS A2011 -6.065 -9.929 3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A2011 -5.443 -10.873 5.290 1.00 0.00 H new ATOM 0 HZ2 LYS A2011 -4.011 -10.167 4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A2011 -4.897 -9.404 5.943 1.00 0.00 H new ATOM 1192 N LEU A2012 -8.198 -3.723 2.982 1.00 0.00 N ATOM 1193 CA LEU A2012 -8.463 -2.283 3.136 1.00 0.00 C ATOM 1194 C LEU A2012 -9.159 -2.000 4.462 1.00 0.00 C ATOM 1195 O LEU A2012 -9.097 -0.872 4.951 1.00 0.00 O ATOM 1196 CB LEU A2012 -9.299 -1.742 1.950 1.00 0.00 C ATOM 1197 CG LEU A2012 -8.441 -1.330 0.738 1.00 0.00 C ATOM 1198 CD1 LEU A2012 -7.601 -0.090 1.068 1.00 0.00 C ATOM 1199 CD2 LEU A2012 -7.594 -2.509 0.258 1.00 0.00 C ATOM 0 H LEU A2012 -8.725 -4.151 2.221 1.00 0.00 H new ATOM 0 HA LEU A2012 -7.505 -1.763 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A2012 -10.012 -2.505 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A2012 -9.879 -0.882 2.285 1.00 0.00 H new ATOM 0 HG LEU A2012 -9.096 -1.054 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A2012 -7.002 0.185 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A2012 -8.261 0.737 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A2012 -6.942 -0.310 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A2012 -6.994 -2.201 -0.598 1.00 0.00 H new ATOM 0 HD22 LEU A2012 -6.936 -2.836 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A2012 -8.247 -3.331 -0.033 1.00 0.00 H new ATOM 1211 N TYR A2013 -9.825 -3.000 5.037 1.00 0.00 N ATOM 1212 CA TYR A2013 -10.527 -2.881 6.295 1.00 0.00 C ATOM 1213 C TYR A2013 -9.546 -3.090 7.442 1.00 0.00 C ATOM 1214 O TYR A2013 -9.510 -2.304 8.388 1.00 0.00 O ATOM 1215 CB TYR A2013 -11.676 -3.911 6.306 1.00 0.00 C ATOM 1216 CG TYR A2013 -12.488 -3.965 7.585 1.00 0.00 C ATOM 1217 CD1 TYR A2013 -11.937 -4.534 8.748 1.00 0.00 C ATOM 1218 CD2 TYR A2013 -13.799 -3.454 7.616 1.00 0.00 C ATOM 1219 CE1 TYR A2013 -12.646 -4.498 9.956 1.00 0.00 C ATOM 1220 CE2 TYR A2013 -14.532 -3.460 8.816 1.00 0.00 C ATOM 1221 CZ TYR A2013 -13.941 -3.943 10.003 1.00 0.00 C ATOM 1222 OH TYR A2013 -14.597 -3.884 11.191 1.00 0.00 O ATOM 0 H TYR A2013 -9.887 -3.931 4.626 1.00 0.00 H new ATOM 0 HA TYR A2013 -10.958 -1.888 6.419 1.00 0.00 H new ATOM 0 HB2 TYR A2013 -12.349 -3.689 5.478 1.00 0.00 H new ATOM 0 HB3 TYR A2013 -11.257 -4.900 6.120 1.00 0.00 H new ATOM 0 HD1 TYR A2013 -10.964 -5.000 8.709 1.00 0.00 H new ATOM 0 HD2 TYR A2013 -14.243 -3.056 6.716 1.00 0.00 H new ATOM 0 HE1 TYR A2013 -12.199 -4.897 10.854 1.00 0.00 H new ATOM 0 HE2 TYR A2013 -15.548 -3.095 8.829 1.00 0.00 H new ATOM 0 HH TYR A2013 -15.477 -3.474 11.059 1.00 0.00 H new ATOM 1232 N ASP A2014 -8.753 -4.154 7.367 1.00 0.00 N ATOM 1233 CA ASP A2014 -7.770 -4.557 8.359 1.00 0.00 C ATOM 1234 C ASP A2014 -6.542 -3.673 8.427 1.00 0.00 C ATOM 1235 O ASP A2014 -5.962 -3.497 9.503 1.00 0.00 O ATOM 1236 CB ASP A2014 -7.292 -5.952 7.972 1.00 0.00 C ATOM 1237 CG ASP A2014 -8.114 -7.038 8.638 1.00 0.00 C ATOM 1238 OD1 ASP A2014 -8.178 -7.064 9.888 1.00 0.00 O ATOM 1239 OD2 ASP A2014 -8.572 -7.966 7.942 1.00 0.00 O ATOM 0 H ASP A2014 -8.783 -4.790 6.570 1.00 0.00 H new ATOM 0 HA ASP A2014 -8.259 -4.498 9.331 1.00 0.00 H new ATOM 0 HB2 ASP A2014 -7.348 -6.067 6.890 1.00 0.00 H new ATOM 0 HB3 ASP A2014 -6.245 -6.067 8.251 1.00 0.00 H new ATOM 1244 N TYR A2015 -6.148 -3.120 7.288 1.00 0.00 N ATOM 1245 CA TYR A2015 -4.979 -2.283 7.152 1.00 0.00 C ATOM 1246 C TYR A2015 -5.359 -1.017 6.381 1.00 0.00 C ATOM 1247 O TYR A2015 -5.029 -0.881 5.206 1.00 0.00 O ATOM 1248 CB TYR A2015 -3.888 -3.107 6.469 1.00 0.00 C ATOM 1249 CG TYR A2015 -3.632 -4.498 7.025 1.00 0.00 C ATOM 1250 CD1 TYR A2015 -3.222 -4.708 8.360 1.00 0.00 C ATOM 1251 CD2 TYR A2015 -3.837 -5.600 6.177 1.00 0.00 C ATOM 1252 CE1 TYR A2015 -3.009 -6.016 8.836 1.00 0.00 C ATOM 1253 CE2 TYR A2015 -3.634 -6.905 6.646 1.00 0.00 C ATOM 1254 CZ TYR A2015 -3.216 -7.121 7.977 1.00 0.00 C ATOM 1255 OH TYR A2015 -3.045 -8.402 8.406 1.00 0.00 O ATOM 0 H TYR A2015 -6.653 -3.249 6.411 1.00 0.00 H new ATOM 0 HA TYR A2015 -4.592 -1.955 8.117 1.00 0.00 H new ATOM 0 HB2 TYR A2015 -4.146 -3.205 5.414 1.00 0.00 H new ATOM 0 HB3 TYR A2015 -2.956 -2.544 6.519 1.00 0.00 H new ATOM 0 HD1 TYR A2015 -3.072 -3.864 9.017 1.00 0.00 H new ATOM 0 HD2 TYR A2015 -4.153 -5.440 5.157 1.00 0.00 H new ATOM 0 HE1 TYR A2015 -2.688 -6.175 9.855 1.00 0.00 H new ATOM 0 HE2 TYR A2015 -3.797 -7.746 5.989 1.00 0.00 H new ATOM 0 HH TYR A2015 -3.235 -9.021 7.671 1.00 0.00 H new ATOM 1265 N PRO A2016 -6.057 -0.072 7.027 1.00 0.00 N ATOM 1266 CA PRO A2016 -6.470 1.182 6.404 1.00 0.00 C ATOM 1267 C PRO A2016 -5.301 2.163 6.198 1.00 0.00 C ATOM 1268 O PRO A2016 -5.549 3.277 5.747 1.00 0.00 O ATOM 1269 CB PRO A2016 -7.469 1.775 7.398 1.00 0.00 C ATOM 1270 CG PRO A2016 -7.031 1.242 8.759 1.00 0.00 C ATOM 1271 CD PRO A2016 -6.502 -0.141 8.416 1.00 0.00 C ATOM 0 HA PRO A2016 -6.880 1.007 5.409 1.00 0.00 H new ATOM 0 HB2 PRO A2016 -7.450 2.865 7.375 1.00 0.00 H new ATOM 0 HB3 PRO A2016 -8.489 1.469 7.163 1.00 0.00 H new ATOM 0 HG2 PRO A2016 -6.263 1.869 9.212 1.00 0.00 H new ATOM 0 HG3 PRO A2016 -7.862 1.196 9.463 1.00 0.00 H new ATOM 0 HD2 PRO A2016 -5.679 -0.418 9.075 1.00 0.00 H new ATOM 0 HD3 PRO A2016 -7.278 -0.897 8.539 1.00 0.00 H new ATOM 1279 N THR A2017 -4.062 1.814 6.553 1.00 0.00 N ATOM 1280 CA THR A2017 -2.893 2.686 6.409 1.00 0.00 C ATOM 1281 C THR A2017 -1.850 2.068 5.473 1.00 0.00 C ATOM 1282 O THR A2017 -1.777 0.843 5.339 1.00 0.00 O ATOM 1283 CB THR A2017 -2.314 3.051 7.784 1.00 0.00 C ATOM 1284 OG1 THR A2017 -1.813 1.910 8.435 1.00 0.00 O ATOM 1285 CG2 THR A2017 -3.341 3.708 8.705 1.00 0.00 C ATOM 0 H THR A2017 -3.839 0.903 6.955 1.00 0.00 H new ATOM 0 HA THR A2017 -3.212 3.617 5.941 1.00 0.00 H new ATOM 0 HB THR A2017 -1.515 3.765 7.587 1.00 0.00 H new ATOM 0 HG1 THR A2017 -1.448 2.165 9.308 1.00 0.00 H new ATOM 0 HG21 THR A2017 -2.874 3.943 9.661 1.00 0.00 H new ATOM 0 HG22 THR A2017 -3.708 4.626 8.245 1.00 0.00 H new ATOM 0 HG23 THR A2017 -4.175 3.025 8.867 1.00 0.00 H new ATOM 1293 N LEU A2018 -1.016 2.895 4.822 1.00 0.00 N ATOM 1294 CA LEU A2018 0.019 2.400 3.909 1.00 0.00 C ATOM 1295 C LEU A2018 1.005 1.513 4.643 1.00 0.00 C ATOM 1296 O LEU A2018 1.412 0.500 4.090 1.00 0.00 O ATOM 1297 CB LEU A2018 0.852 3.517 3.255 1.00 0.00 C ATOM 1298 CG LEU A2018 0.127 4.519 2.347 1.00 0.00 C ATOM 1299 CD1 LEU A2018 1.135 5.579 1.894 1.00 0.00 C ATOM 1300 CD2 LEU A2018 -0.409 3.845 1.081 1.00 0.00 C ATOM 0 H LEU A2018 -1.041 3.911 4.913 1.00 0.00 H new ATOM 0 HA LEU A2018 -0.530 1.860 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A2018 1.339 4.080 4.051 1.00 0.00 H new ATOM 0 HB3 LEU A2018 1.641 3.046 2.669 1.00 0.00 H new ATOM 0 HG LEU A2018 -0.703 4.945 2.911 1.00 0.00 H new ATOM 0 HD11 LEU A2018 0.637 6.301 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A2018 1.540 6.092 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A2018 1.946 5.099 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A2018 -0.916 4.585 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A2018 0.419 3.410 0.522 1.00 0.00 H new ATOM 0 HD23 LEU A2018 -1.112 3.059 1.357 1.00 0.00 H new ATOM 1312 N LEU A2019 1.413 1.881 5.858 1.00 0.00 N ATOM 1313 CA LEU A2019 2.377 1.101 6.627 1.00 0.00 C ATOM 1314 C LEU A2019 1.899 -0.319 6.883 1.00 0.00 C ATOM 1315 O LEU A2019 2.688 -1.258 6.784 1.00 0.00 O ATOM 1316 CB LEU A2019 2.658 1.796 7.969 1.00 0.00 C ATOM 1317 CG LEU A2019 3.498 3.074 7.849 1.00 0.00 C ATOM 1318 CD1 LEU A2019 3.681 3.670 9.248 1.00 0.00 C ATOM 1319 CD2 LEU A2019 4.862 2.884 7.158 1.00 0.00 C ATOM 0 H LEU A2019 1.086 2.723 6.332 1.00 0.00 H new ATOM 0 HA LEU A2019 3.290 1.041 6.034 1.00 0.00 H new ATOM 0 HB2 LEU A2019 1.708 2.042 8.445 1.00 0.00 H new ATOM 0 HB3 LEU A2019 3.173 1.096 8.627 1.00 0.00 H new ATOM 0 HG LEU A2019 2.950 3.754 7.198 1.00 0.00 H new ATOM 0 HD11 LEU A2019 4.277 4.580 9.181 1.00 0.00 H new ATOM 0 HD12 LEU A2019 2.706 3.905 9.674 1.00 0.00 H new ATOM 0 HD13 LEU A2019 4.191 2.949 9.887 1.00 0.00 H new ATOM 0 HD21 LEU A2019 5.386 3.839 7.118 1.00 0.00 H new ATOM 0 HD22 LEU A2019 5.458 2.166 7.721 1.00 0.00 H new ATOM 0 HD23 LEU A2019 4.708 2.512 6.145 1.00 0.00 H new ATOM 1331 N GLU A2020 0.629 -0.469 7.226 1.00 0.00 N ATOM 1332 CA GLU A2020 0.013 -1.748 7.526 1.00 0.00 C ATOM 1333 C GLU A2020 -0.235 -2.548 6.253 1.00 0.00 C ATOM 1334 O GLU A2020 0.143 -3.717 6.176 1.00 0.00 O ATOM 1335 CB GLU A2020 -1.286 -1.476 8.285 1.00 0.00 C ATOM 1336 CG GLU A2020 -1.045 -0.791 9.629 1.00 0.00 C ATOM 1337 CD GLU A2020 -0.700 -1.751 10.769 1.00 0.00 C ATOM 1338 OE1 GLU A2020 0.221 -2.585 10.610 1.00 0.00 O ATOM 1339 OE2 GLU A2020 -1.274 -1.595 11.875 1.00 0.00 O ATOM 0 H GLU A2020 -0.017 0.317 7.305 1.00 0.00 H new ATOM 0 HA GLU A2020 0.678 -2.352 8.143 1.00 0.00 H new ATOM 0 HB2 GLU A2020 -1.936 -0.851 7.673 1.00 0.00 H new ATOM 0 HB3 GLU A2020 -1.811 -2.417 8.449 1.00 0.00 H new ATOM 0 HG2 GLU A2020 -0.234 -0.071 9.517 1.00 0.00 H new ATOM 0 HG3 GLU A2020 -1.937 -0.227 9.902 1.00 0.00 H new ATOM 1346 N LEU A2021 -0.842 -1.916 5.239 1.00 0.00 N ATOM 1347 CA LEU A2021 -1.141 -2.569 3.966 1.00 0.00 C ATOM 1348 C LEU A2021 0.173 -3.079 3.368 1.00 0.00 C ATOM 1349 O LEU A2021 0.227 -4.167 2.801 1.00 0.00 O ATOM 1350 CB LEU A2021 -1.872 -1.583 3.033 1.00 0.00 C ATOM 1351 CG LEU A2021 -2.706 -2.279 1.940 1.00 0.00 C ATOM 1352 CD1 LEU A2021 -4.017 -2.835 2.508 1.00 0.00 C ATOM 1353 CD2 LEU A2021 -3.089 -1.290 0.834 1.00 0.00 C ATOM 0 H LEU A2021 -1.137 -0.941 5.282 1.00 0.00 H new ATOM 0 HA LEU A2021 -1.807 -3.421 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A2021 -2.526 -0.947 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A2021 -1.138 -0.930 2.560 1.00 0.00 H new ATOM 0 HG LEU A2021 -2.087 -3.085 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A2021 -4.582 -3.320 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A2021 -3.796 -3.562 3.290 1.00 0.00 H new ATOM 0 HD13 LEU A2021 -4.607 -2.020 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A2021 -3.677 -1.804 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A2021 -3.678 -0.478 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A2021 -2.185 -0.884 0.380 1.00 0.00 H new ATOM 1365 N SER A2022 1.234 -2.290 3.537 1.00 0.00 N ATOM 1366 CA SER A2022 2.573 -2.577 3.087 1.00 0.00 C ATOM 1367 C SER A2022 3.145 -3.756 3.869 1.00 0.00 C ATOM 1368 O SER A2022 3.663 -4.682 3.253 1.00 0.00 O ATOM 1369 CB SER A2022 3.454 -1.349 3.318 1.00 0.00 C ATOM 1370 OG SER A2022 4.777 -1.643 2.972 1.00 0.00 O ATOM 0 H SER A2022 1.167 -1.392 4.016 1.00 0.00 H new ATOM 0 HA SER A2022 2.549 -2.827 2.026 1.00 0.00 H new ATOM 0 HB2 SER A2022 3.090 -0.512 2.722 1.00 0.00 H new ATOM 0 HB3 SER A2022 3.401 -1.043 4.363 1.00 0.00 H new ATOM 0 HG SER A2022 5.351 -0.881 3.197 1.00 0.00 H new ATOM 1376 N GLY A2023 3.026 -3.751 5.203 1.00 0.00 N ATOM 1377 CA GLY A2023 3.559 -4.789 6.074 1.00 0.00 C ATOM 1378 C GLY A2023 3.084 -6.176 5.703 1.00 0.00 C ATOM 1379 O GLY A2023 3.875 -7.125 5.719 1.00 0.00 O ATOM 0 H GLY A2023 2.546 -3.008 5.710 1.00 0.00 H new ATOM 0 HA2 GLY A2023 4.648 -4.762 6.037 1.00 0.00 H new ATOM 0 HA3 GLY A2023 3.270 -4.575 7.103 1.00 0.00 H new ATOM 1383 N TYR A2024 1.815 -6.300 5.315 1.00 0.00 N ATOM 1384 CA TYR A2024 1.311 -7.608 4.956 1.00 0.00 C ATOM 1385 C TYR A2024 1.947 -8.091 3.657 1.00 0.00 C ATOM 1386 O TYR A2024 2.293 -9.259 3.531 1.00 0.00 O ATOM 1387 CB TYR A2024 -0.214 -7.613 4.878 1.00 0.00 C ATOM 1388 CG TYR A2024 -0.748 -9.019 4.683 1.00 0.00 C ATOM 1389 CD1 TYR A2024 -0.360 -10.035 5.576 1.00 0.00 C ATOM 1390 CD2 TYR A2024 -1.531 -9.341 3.561 1.00 0.00 C ATOM 1391 CE1 TYR A2024 -0.755 -11.362 5.362 1.00 0.00 C ATOM 1392 CE2 TYR A2024 -1.949 -10.667 3.350 1.00 0.00 C ATOM 1393 CZ TYR A2024 -1.542 -11.686 4.238 1.00 0.00 C ATOM 1394 OH TYR A2024 -1.881 -12.974 3.979 1.00 0.00 O ATOM 0 H TYR A2024 1.144 -5.535 5.245 1.00 0.00 H new ATOM 0 HA TYR A2024 1.591 -8.309 5.742 1.00 0.00 H new ATOM 0 HB2 TYR A2024 -0.629 -7.187 5.791 1.00 0.00 H new ATOM 0 HB3 TYR A2024 -0.541 -6.979 4.054 1.00 0.00 H new ATOM 0 HD1 TYR A2024 0.248 -9.790 6.434 1.00 0.00 H new ATOM 0 HD2 TYR A2024 -1.812 -8.569 2.860 1.00 0.00 H new ATOM 0 HE1 TYR A2024 -0.458 -12.134 6.056 1.00 0.00 H new ATOM 0 HE2 TYR A2024 -2.582 -10.906 2.508 1.00 0.00 H new ATOM 0 HH TYR A2024 -2.426 -13.012 3.166 1.00 0.00 H new ATOM 1404 N ILE A2025 2.102 -7.212 2.673 1.00 0.00 N ATOM 1405 CA ILE A2025 2.703 -7.560 1.393 1.00 0.00 C ATOM 1406 C ILE A2025 4.219 -7.766 1.536 1.00 0.00 C ATOM 1407 O ILE A2025 4.760 -8.652 0.876 1.00 0.00 O ATOM 1408 CB ILE A2025 2.358 -6.460 0.369 1.00 0.00 C ATOM 1409 CG1 ILE A2025 0.837 -6.229 0.210 1.00 0.00 C ATOM 1410 CG2 ILE A2025 2.975 -6.779 -1.001 1.00 0.00 C ATOM 1411 CD1 ILE A2025 0.505 -4.948 -0.568 1.00 0.00 C ATOM 0 H ILE A2025 1.813 -6.236 2.742 1.00 0.00 H new ATOM 0 HA ILE A2025 2.298 -8.507 1.037 1.00 0.00 H new ATOM 0 HB ILE A2025 2.786 -5.538 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A2025 0.397 -7.084 -0.303 1.00 0.00 H new ATOM 0 HG13 ILE A2025 0.377 -6.178 1.197 1.00 0.00 H new ATOM 0 HG21 ILE A2025 2.719 -5.990 -1.708 1.00 0.00 H new ATOM 0 HG22 ILE A2025 4.059 -6.843 -0.906 1.00 0.00 H new ATOM 0 HG23 ILE A2025 2.586 -7.731 -1.363 1.00 0.00 H new ATOM 0 HD11 ILE A2025 -0.577 -4.840 -0.647 1.00 0.00 H new ATOM 0 HD12 ILE A2025 0.918 -4.086 -0.044 1.00 0.00 H new ATOM 0 HD13 ILE A2025 0.938 -5.006 -1.567 1.00 0.00 H new ATOM 1423 N ALA A2026 4.900 -6.993 2.389 1.00 0.00 N ATOM 1424 CA ALA A2026 6.338 -7.058 2.629 1.00 0.00 C ATOM 1425 C ALA A2026 6.764 -8.487 2.939 1.00 0.00 C ATOM 1426 O ALA A2026 7.670 -8.995 2.286 1.00 0.00 O ATOM 1427 CB ALA A2026 6.715 -6.151 3.812 1.00 0.00 C ATOM 0 H ALA A2026 4.441 -6.277 2.952 1.00 0.00 H new ATOM 0 HA ALA A2026 6.851 -6.720 1.729 1.00 0.00 H new ATOM 0 HB1 ALA A2026 7.790 -6.206 3.984 1.00 0.00 H new ATOM 0 HB2 ALA A2026 6.436 -5.122 3.585 1.00 0.00 H new ATOM 0 HB3 ALA A2026 6.187 -6.481 4.707 1.00 0.00 H new ATOM 1433 N GLN A2027 6.090 -9.132 3.900 1.00 0.00 N ATOM 1434 CA GLN A2027 6.417 -10.495 4.300 1.00 0.00 C ATOM 1435 C GLN A2027 6.230 -11.489 3.156 1.00 0.00 C ATOM 1436 O GLN A2027 6.999 -12.444 3.050 1.00 0.00 O ATOM 1437 CB GLN A2027 5.629 -10.916 5.549 1.00 0.00 C ATOM 1438 CG GLN A2027 4.115 -10.809 5.390 1.00 0.00 C ATOM 1439 CD GLN A2027 3.356 -11.435 6.544 1.00 0.00 C ATOM 1440 OE1 GLN A2027 2.887 -12.573 6.459 1.00 0.00 O ATOM 1441 NE2 GLN A2027 3.207 -10.711 7.631 1.00 0.00 N ATOM 0 H GLN A2027 5.310 -8.723 4.415 1.00 0.00 H new ATOM 0 HA GLN A2027 7.476 -10.507 4.559 1.00 0.00 H new ATOM 0 HB2 GLN A2027 5.886 -11.945 5.799 1.00 0.00 H new ATOM 0 HB3 GLN A2027 5.941 -10.296 6.390 1.00 0.00 H new ATOM 0 HG2 GLN A2027 3.837 -9.759 5.306 1.00 0.00 H new ATOM 0 HG3 GLN A2027 3.817 -11.293 4.460 1.00 0.00 H new ATOM 0 HE21 GLN A2027 3.604 -9.773 7.677 1.00 0.00 H new ATOM 0 HE22 GLN A2027 2.694 -11.088 8.428 1.00 0.00 H new ATOM 1450 N ILE A2028 5.208 -11.280 2.319 1.00 0.00 N ATOM 1451 CA ILE A2028 4.922 -12.155 1.194 1.00 0.00 C ATOM 1452 C ILE A2028 6.046 -12.008 0.173 1.00 0.00 C ATOM 1453 O ILE A2028 6.673 -12.988 -0.206 1.00 0.00 O ATOM 1454 CB ILE A2028 3.538 -11.841 0.570 1.00 0.00 C ATOM 1455 CG1 ILE A2028 2.391 -11.881 1.601 1.00 0.00 C ATOM 1456 CG2 ILE A2028 3.234 -12.862 -0.535 1.00 0.00 C ATOM 1457 CD1 ILE A2028 1.087 -11.235 1.124 1.00 0.00 C ATOM 0 H ILE A2028 4.560 -10.497 2.409 1.00 0.00 H new ATOM 0 HA ILE A2028 4.875 -13.189 1.536 1.00 0.00 H new ATOM 0 HB ILE A2028 3.593 -10.828 0.172 1.00 0.00 H new ATOM 0 HG12 ILE A2028 2.192 -12.920 1.865 1.00 0.00 H new ATOM 0 HG13 ILE A2028 2.719 -11.379 2.511 1.00 0.00 H new ATOM 0 HG21 ILE A2028 2.261 -12.643 -0.975 1.00 0.00 H new ATOM 0 HG22 ILE A2028 4.002 -12.804 -1.306 1.00 0.00 H new ATOM 0 HG23 ILE A2028 3.222 -13.866 -0.110 1.00 0.00 H new ATOM 0 HD11 ILE A2028 0.336 -11.308 1.911 1.00 0.00 H new ATOM 0 HD12 ILE A2028 1.266 -10.186 0.889 1.00 0.00 H new ATOM 0 HD13 ILE A2028 0.730 -11.751 0.233 1.00 0.00 H new ATOM 1469 N LEU A2029 6.329 -10.785 -0.269 1.00 0.00 N ATOM 1470 CA LEU A2029 7.358 -10.516 -1.263 1.00 0.00 C ATOM 1471 C LEU A2029 8.741 -10.946 -0.812 1.00 0.00 C ATOM 1472 O LEU A2029 9.486 -11.526 -1.605 1.00 0.00 O ATOM 1473 CB LEU A2029 7.373 -9.029 -1.594 1.00 0.00 C ATOM 1474 CG LEU A2029 6.174 -8.595 -2.454 1.00 0.00 C ATOM 1475 CD1 LEU A2029 6.224 -7.072 -2.564 1.00 0.00 C ATOM 1476 CD2 LEU A2029 6.233 -9.227 -3.849 1.00 0.00 C ATOM 0 H LEU A2029 5.845 -9.948 0.057 1.00 0.00 H new ATOM 0 HA LEU A2029 7.109 -11.104 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A2029 7.375 -8.456 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A2029 8.297 -8.788 -2.120 1.00 0.00 H new ATOM 0 HG LEU A2029 5.244 -8.925 -1.992 1.00 0.00 H new ATOM 0 HD11 LEU A2029 5.387 -6.723 -3.169 1.00 0.00 H new ATOM 0 HD12 LEU A2029 6.160 -6.633 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A2029 7.161 -6.772 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU A2029 5.372 -8.901 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A2029 7.150 -8.917 -4.350 1.00 0.00 H new ATOM 0 HD23 LEU A2029 6.219 -10.313 -3.757 1.00 0.00 H new ATOM 1488 N SER A2030 9.101 -10.674 0.439 1.00 0.00 N ATOM 1489 CA SER A2030 10.406 -11.060 0.948 1.00 0.00 C ATOM 1490 C SER A2030 10.566 -12.597 0.954 1.00 0.00 C ATOM 1491 O SER A2030 11.689 -13.094 0.865 1.00 0.00 O ATOM 1492 CB SER A2030 10.633 -10.360 2.297 1.00 0.00 C ATOM 1493 OG SER A2030 9.849 -10.898 3.344 1.00 0.00 O ATOM 0 H SER A2030 8.508 -10.190 1.113 1.00 0.00 H new ATOM 0 HA SER A2030 11.207 -10.722 0.290 1.00 0.00 H new ATOM 0 HB2 SER A2030 11.687 -10.436 2.565 1.00 0.00 H new ATOM 0 HB3 SER A2030 10.407 -9.299 2.191 1.00 0.00 H new ATOM 0 HG SER A2030 9.040 -11.306 2.970 1.00 0.00 H new