USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 558 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 Single : A 981 THR OG1 : rot 93:sc= 1.22 USER MOD Single : A 987 MET CE :methyl -111:sc= -0.493 (180deg=-4.01!) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 994 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 699 SER OG : rot 73:sc= 1.05 USER MOD Single : B 701 MET CE :methyl 155:sc= -0.129 (180deg=-0.851) USER MOD Single : B 716 LYS NZ :NH3+ -119:sc= -0.155 (180deg=-1.04) USER MOD Single : B 720 THR OG1 : rot 76:sc= 1.15 USER MOD Single : B 722 HIS : no HE2:sc= 0.435 K(o=0.44,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 31.663 -18.511 -2.132 1.00 1.00 N ATOM 137 CA ILE A 966 31.610 -17.774 -0.874 1.00 1.00 C ATOM 138 C ILE A 966 32.957 -17.138 -0.534 1.00 1.00 C ATOM 139 O ILE A 966 33.013 -16.013 -0.040 1.00 1.00 O ATOM 140 CB ILE A 966 31.187 -18.712 0.258 1.00 1.00 C ATOM 141 CG1 ILE A 966 30.893 -17.895 1.520 1.00 1.00 C ATOM 142 CG2 ILE A 966 32.316 -19.703 0.547 1.00 1.00 C ATOM 143 CD1 ILE A 966 30.205 -18.787 2.555 1.00 1.00 C ATOM 0 HA ILE A 966 30.879 -16.974 -0.988 1.00 1.00 H new ATOM 0 HB ILE A 966 30.290 -19.256 -0.039 1.00 1.00 H new ATOM 0 HG12 ILE A 966 31.819 -17.492 1.930 1.00 1.00 H new ATOM 0 HG13 ILE A 966 30.256 -17.045 1.276 1.00 1.00 H new ATOM 0 HG21 ILE A 966 32.015 -20.372 1.354 1.00 1.00 H new ATOM 0 HG22 ILE A 966 32.526 -20.287 -0.349 1.00 1.00 H new ATOM 0 HG23 ILE A 966 33.212 -19.157 0.843 1.00 1.00 H new ATOM 0 HD11 ILE A 966 29.995 -18.207 3.454 1.00 1.00 H new ATOM 0 HD12 ILE A 966 29.271 -19.168 2.143 1.00 1.00 H new ATOM 0 HD13 ILE A 966 30.858 -19.622 2.807 1.00 1.00 H new ATOM 155 N TRP A 967 34.037 -17.871 -0.778 1.00 1.00 N ATOM 156 CA TRP A 967 35.374 -17.373 -0.468 1.00 1.00 C ATOM 157 C TRP A 967 35.664 -16.062 -1.195 1.00 1.00 C ATOM 158 O TRP A 967 36.294 -15.163 -0.637 1.00 1.00 O ATOM 159 CB TRP A 967 36.418 -18.422 -0.853 1.00 1.00 C ATOM 160 CG TRP A 967 36.350 -19.563 0.111 1.00 1.00 C ATOM 161 CD1 TRP A 967 35.570 -20.659 -0.033 1.00 1.00 C ATOM 162 CD2 TRP A 967 37.081 -19.742 1.359 1.00 1.00 C ATOM 163 NE1 TRP A 967 35.772 -21.497 1.050 1.00 1.00 N ATOM 164 CE2 TRP A 967 36.696 -20.976 1.934 1.00 1.00 C ATOM 165 CE3 TRP A 967 38.030 -18.960 2.042 1.00 1.00 C ATOM 166 CZ2 TRP A 967 37.233 -21.419 3.143 1.00 1.00 C ATOM 167 CZ3 TRP A 967 38.573 -19.403 3.259 1.00 1.00 C ATOM 168 CH2 TRP A 967 38.175 -20.630 3.808 1.00 1.00 C ATOM 0 H TRP A 967 34.015 -18.805 -1.186 1.00 1.00 H new ATOM 0 HA TRP A 967 35.423 -17.181 0.604 1.00 1.00 H new ATOM 0 HB2 TRP A 967 36.237 -18.777 -1.868 1.00 1.00 H new ATOM 0 HB3 TRP A 967 37.415 -17.981 -0.843 1.00 1.00 H new ATOM 0 HD1 TRP A 967 34.899 -20.849 -0.858 1.00 1.00 H new ATOM 0 HE1 TRP A 967 35.296 -22.390 1.179 1.00 1.00 H new ATOM 0 HE3 TRP A 967 38.343 -18.013 1.628 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 36.923 -22.365 3.562 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 39.301 -18.795 3.775 1.00 1.00 H new ATOM 0 HH2 TRP A 967 38.596 -20.965 4.744 1.00 1.00 H new ATOM 179 N TRP A 968 35.204 -15.954 -2.435 1.00 1.00 N ATOM 180 CA TRP A 968 35.427 -14.739 -3.212 1.00 1.00 C ATOM 181 C TRP A 968 34.796 -13.527 -2.527 1.00 1.00 C ATOM 182 O TRP A 968 35.364 -12.435 -2.541 1.00 1.00 O ATOM 183 CB TRP A 968 34.855 -14.902 -4.620 1.00 1.00 C ATOM 184 CG TRP A 968 35.734 -15.822 -5.404 1.00 1.00 C ATOM 185 CD1 TRP A 968 35.494 -17.135 -5.619 1.00 1.00 C ATOM 186 CD2 TRP A 968 36.987 -15.519 -6.084 1.00 1.00 C ATOM 187 NE1 TRP A 968 36.521 -17.658 -6.385 1.00 1.00 N ATOM 188 CE2 TRP A 968 37.465 -16.701 -6.697 1.00 1.00 C ATOM 189 CE3 TRP A 968 37.748 -14.345 -6.225 1.00 1.00 C ATOM 190 CZ2 TRP A 968 38.655 -16.717 -7.426 1.00 1.00 C ATOM 191 CZ3 TRP A 968 38.946 -14.357 -6.957 1.00 1.00 C ATOM 192 CH2 TRP A 968 39.399 -15.541 -7.556 1.00 1.00 C ATOM 0 H TRP A 968 34.680 -16.682 -2.921 1.00 1.00 H new ATOM 0 HA TRP A 968 36.502 -14.572 -3.280 1.00 1.00 H new ATOM 0 HB2 TRP A 968 33.842 -15.302 -4.570 1.00 1.00 H new ATOM 0 HB3 TRP A 968 34.791 -13.932 -5.114 1.00 1.00 H new ATOM 0 HD1 TRP A 968 34.640 -17.686 -5.253 1.00 1.00 H new ATOM 0 HE1 TRP A 968 36.574 -18.632 -6.683 1.00 1.00 H new ATOM 0 HE3 TRP A 968 37.409 -13.428 -5.767 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 38.999 -17.632 -7.886 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 39.522 -13.449 -7.059 1.00 1.00 H new ATOM 0 HH2 TRP A 968 40.322 -15.544 -8.117 1.00 1.00 H new ATOM 203 N VAL A 969 33.624 -13.722 -1.928 1.00 1.00 N ATOM 204 CA VAL A 969 32.940 -12.627 -1.244 1.00 1.00 C ATOM 205 C VAL A 969 33.777 -12.115 -0.076 1.00 1.00 C ATOM 206 O VAL A 969 33.936 -10.907 0.101 1.00 1.00 O ATOM 207 CB VAL A 969 31.576 -13.090 -0.733 1.00 1.00 C ATOM 208 CG1 VAL A 969 30.995 -12.028 0.202 1.00 1.00 C ATOM 209 CG2 VAL A 969 30.630 -13.286 -1.920 1.00 1.00 C ATOM 0 H VAL A 969 33.133 -14.616 -1.902 1.00 1.00 H new ATOM 0 HA VAL A 969 32.799 -11.816 -1.959 1.00 1.00 H new ATOM 0 HB VAL A 969 31.690 -14.030 -0.194 1.00 1.00 H new ATOM 0 HG11 VAL A 969 30.022 -12.357 0.567 1.00 1.00 H new ATOM 0 HG12 VAL A 969 31.668 -11.879 1.046 1.00 1.00 H new ATOM 0 HG13 VAL A 969 30.880 -11.089 -0.340 1.00 1.00 H new ATOM 0 HG21 VAL A 969 29.656 -13.616 -1.558 1.00 1.00 H new ATOM 0 HG22 VAL A 969 30.518 -12.343 -2.455 1.00 1.00 H new ATOM 0 HG23 VAL A 969 31.041 -14.038 -2.593 1.00 1.00 H new ATOM 219 N LEU A 970 34.318 -13.037 0.715 1.00 1.00 N ATOM 220 CA LEU A 970 35.145 -12.650 1.856 1.00 1.00 C ATOM 221 C LEU A 970 36.387 -11.905 1.383 1.00 1.00 C ATOM 222 O LEU A 970 36.796 -10.915 1.988 1.00 1.00 O ATOM 223 CB LEU A 970 35.561 -13.880 2.670 1.00 1.00 C ATOM 224 CG LEU A 970 34.450 -14.264 3.654 1.00 1.00 C ATOM 225 CD1 LEU A 970 33.185 -14.653 2.891 1.00 1.00 C ATOM 226 CD2 LEU A 970 34.914 -15.451 4.502 1.00 1.00 C ATOM 0 H LEU A 970 34.202 -14.043 0.591 1.00 1.00 H new ATOM 0 HA LEU A 970 34.553 -11.992 2.493 1.00 1.00 H new ATOM 0 HB2 LEU A 970 35.769 -14.715 2.001 1.00 1.00 H new ATOM 0 HB3 LEU A 970 36.482 -13.671 3.214 1.00 1.00 H new ATOM 0 HG LEU A 970 34.231 -13.411 4.297 1.00 1.00 H new ATOM 0 HD11 LEU A 970 32.402 -14.924 3.599 1.00 1.00 H new ATOM 0 HD12 LEU A 970 32.851 -13.810 2.286 1.00 1.00 H new ATOM 0 HD13 LEU A 970 33.398 -15.503 2.243 1.00 1.00 H new ATOM 0 HD21 LEU A 970 34.126 -15.727 5.203 1.00 1.00 H new ATOM 0 HD22 LEU A 970 35.135 -16.298 3.852 1.00 1.00 H new ATOM 0 HD23 LEU A 970 35.812 -15.174 5.055 1.00 1.00 H new ATOM 238 N VAL A 971 36.984 -12.386 0.297 1.00 1.00 N ATOM 239 CA VAL A 971 38.179 -11.751 -0.244 1.00 1.00 C ATOM 240 C VAL A 971 37.868 -10.321 -0.671 1.00 1.00 C ATOM 241 O VAL A 971 38.620 -9.395 -0.368 1.00 1.00 O ATOM 242 CB VAL A 971 38.694 -12.545 -1.445 1.00 1.00 C ATOM 243 CG1 VAL A 971 39.812 -11.761 -2.134 1.00 1.00 C ATOM 244 CG2 VAL A 971 39.238 -13.894 -0.970 1.00 1.00 C ATOM 0 H VAL A 971 36.664 -13.205 -0.221 1.00 1.00 H new ATOM 0 HA VAL A 971 38.946 -11.732 0.531 1.00 1.00 H new ATOM 0 HB VAL A 971 37.877 -12.709 -2.148 1.00 1.00 H new ATOM 0 HG11 VAL A 971 40.179 -12.327 -2.990 1.00 1.00 H new ATOM 0 HG12 VAL A 971 39.427 -10.799 -2.473 1.00 1.00 H new ATOM 0 HG13 VAL A 971 40.628 -11.597 -1.431 1.00 1.00 H new ATOM 0 HG21 VAL A 971 39.605 -14.460 -1.826 1.00 1.00 H new ATOM 0 HG22 VAL A 971 40.054 -13.730 -0.266 1.00 1.00 H new ATOM 0 HG23 VAL A 971 38.443 -14.454 -0.479 1.00 1.00 H new ATOM 254 N GLY A 972 36.749 -10.145 -1.369 1.00 1.00 N ATOM 255 CA GLY A 972 36.346 -8.818 -1.821 1.00 1.00 C ATOM 256 C GLY A 972 36.057 -7.911 -0.630 1.00 1.00 C ATOM 257 O GLY A 972 36.383 -6.725 -0.643 1.00 1.00 O ATOM 0 H GLY A 972 36.111 -10.897 -1.631 1.00 1.00 H new ATOM 0 HA2 GLY A 972 37.134 -8.382 -2.435 1.00 1.00 H new ATOM 0 HA3 GLY A 972 35.459 -8.896 -2.450 1.00 1.00 H new ATOM 261 N VAL A 973 35.448 -8.482 0.403 1.00 1.00 N ATOM 262 CA VAL A 973 35.121 -7.722 1.604 1.00 1.00 C ATOM 263 C VAL A 973 36.395 -7.218 2.280 1.00 1.00 C ATOM 264 O VAL A 973 36.473 -6.061 2.693 1.00 1.00 O ATOM 265 CB VAL A 973 34.325 -8.598 2.575 1.00 1.00 C ATOM 266 CG1 VAL A 973 34.196 -7.884 3.922 1.00 1.00 C ATOM 267 CG2 VAL A 973 32.929 -8.851 2.002 1.00 1.00 C ATOM 0 H VAL A 973 35.172 -9.463 0.434 1.00 1.00 H new ATOM 0 HA VAL A 973 34.515 -6.862 1.319 1.00 1.00 H new ATOM 0 HB VAL A 973 34.843 -9.547 2.714 1.00 1.00 H new ATOM 0 HG11 VAL A 973 33.629 -8.509 4.612 1.00 1.00 H new ATOM 0 HG12 VAL A 973 35.189 -7.699 4.332 1.00 1.00 H new ATOM 0 HG13 VAL A 973 33.678 -6.935 3.783 1.00 1.00 H new ATOM 0 HG21 VAL A 973 32.360 -9.475 2.692 1.00 1.00 H new ATOM 0 HG22 VAL A 973 32.414 -7.900 1.864 1.00 1.00 H new ATOM 0 HG23 VAL A 973 33.016 -9.359 1.042 1.00 1.00 H new ATOM 277 N LEU A 974 37.393 -8.089 2.389 1.00 1.00 N ATOM 278 CA LEU A 974 38.657 -7.707 3.014 1.00 1.00 C ATOM 279 C LEU A 974 39.309 -6.584 2.212 1.00 1.00 C ATOM 280 O LEU A 974 39.815 -5.610 2.776 1.00 1.00 O ATOM 281 CB LEU A 974 39.593 -8.922 3.076 1.00 1.00 C ATOM 282 CG LEU A 974 40.936 -8.536 3.711 1.00 1.00 C ATOM 283 CD1 LEU A 974 40.711 -7.969 5.115 1.00 1.00 C ATOM 284 CD2 LEU A 974 41.823 -9.780 3.808 1.00 1.00 C ATOM 0 H LEU A 974 37.354 -9.053 2.058 1.00 1.00 H new ATOM 0 HA LEU A 974 38.466 -7.355 4.028 1.00 1.00 H new ATOM 0 HB2 LEU A 974 39.126 -9.719 3.655 1.00 1.00 H new ATOM 0 HB3 LEU A 974 39.758 -9.313 2.072 1.00 1.00 H new ATOM 0 HG LEU A 974 41.419 -7.779 3.093 1.00 1.00 H new ATOM 0 HD11 LEU A 974 41.670 -7.698 5.556 1.00 1.00 H new ATOM 0 HD12 LEU A 974 40.078 -7.084 5.053 1.00 1.00 H new ATOM 0 HD13 LEU A 974 40.225 -8.720 5.737 1.00 1.00 H new ATOM 0 HD21 LEU A 974 42.779 -9.511 4.258 1.00 1.00 H new ATOM 0 HD22 LEU A 974 41.330 -10.531 4.424 1.00 1.00 H new ATOM 0 HD23 LEU A 974 41.993 -10.184 2.810 1.00 1.00 H new ATOM 296 N GLY A 975 39.277 -6.719 0.889 1.00 1.00 N ATOM 297 CA GLY A 975 39.848 -5.704 0.017 1.00 1.00 C ATOM 298 C GLY A 975 39.095 -4.389 0.186 1.00 1.00 C ATOM 299 O GLY A 975 39.678 -3.309 0.105 1.00 1.00 O ATOM 0 H GLY A 975 38.865 -7.515 0.403 1.00 1.00 H new ATOM 0 HA2 GLY A 975 40.903 -5.562 0.253 1.00 1.00 H new ATOM 0 HA3 GLY A 975 39.795 -6.032 -1.021 1.00 1.00 H new ATOM 303 N GLY A 976 37.789 -4.494 0.424 1.00 1.00 N ATOM 304 CA GLY A 976 36.957 -3.317 0.608 1.00 1.00 C ATOM 305 C GLY A 976 37.388 -2.538 1.840 1.00 1.00 C ATOM 306 O GLY A 976 37.375 -1.308 1.838 1.00 1.00 O ATOM 0 H GLY A 976 37.290 -5.381 0.493 1.00 1.00 H new ATOM 0 HA2 GLY A 976 37.023 -2.678 -0.273 1.00 1.00 H new ATOM 0 HA3 GLY A 976 35.914 -3.616 0.708 1.00 1.00 H new ATOM 310 N LEU A 977 37.783 -3.260 2.886 1.00 1.00 N ATOM 311 CA LEU A 977 38.227 -2.617 4.110 1.00 1.00 C ATOM 312 C LEU A 977 39.462 -1.788 3.813 1.00 1.00 C ATOM 313 O LEU A 977 39.601 -0.668 4.300 1.00 1.00 O ATOM 314 CB LEU A 977 38.544 -3.668 5.176 1.00 1.00 C ATOM 315 CG LEU A 977 37.246 -4.344 5.640 1.00 1.00 C ATOM 316 CD1 LEU A 977 37.581 -5.524 6.559 1.00 1.00 C ATOM 317 CD2 LEU A 977 36.367 -3.337 6.397 1.00 1.00 C ATOM 0 H LEU A 977 37.803 -4.280 2.907 1.00 1.00 H new ATOM 0 HA LEU A 977 37.435 -1.971 4.489 1.00 1.00 H new ATOM 0 HB2 LEU A 977 39.229 -4.414 4.773 1.00 1.00 H new ATOM 0 HB3 LEU A 977 39.045 -3.200 6.024 1.00 1.00 H new ATOM 0 HG LEU A 977 36.702 -4.704 4.767 1.00 1.00 H new ATOM 0 HD11 LEU A 977 36.658 -6.003 6.887 1.00 1.00 H new ATOM 0 HD12 LEU A 977 38.191 -6.246 6.016 1.00 1.00 H new ATOM 0 HD13 LEU A 977 38.132 -5.164 7.428 1.00 1.00 H new ATOM 0 HD21 LEU A 977 35.449 -3.827 6.721 1.00 1.00 H new ATOM 0 HD22 LEU A 977 36.907 -2.965 7.268 1.00 1.00 H new ATOM 0 HD23 LEU A 977 36.120 -2.503 5.740 1.00 1.00 H new ATOM 329 N LEU A 978 40.348 -2.346 2.995 1.00 1.00 N ATOM 330 CA LEU A 978 41.571 -1.651 2.615 1.00 1.00 C ATOM 331 C LEU A 978 41.237 -0.376 1.844 1.00 1.00 C ATOM 332 O LEU A 978 41.871 0.660 2.033 1.00 1.00 O ATOM 333 CB LEU A 978 42.445 -2.556 1.746 1.00 1.00 C ATOM 334 CG LEU A 978 42.995 -3.708 2.590 1.00 1.00 C ATOM 335 CD1 LEU A 978 43.681 -4.724 1.674 1.00 1.00 C ATOM 336 CD2 LEU A 978 44.010 -3.186 3.614 1.00 1.00 C ATOM 0 H LEU A 978 40.242 -3.274 2.584 1.00 1.00 H new ATOM 0 HA LEU A 978 42.115 -1.390 3.523 1.00 1.00 H new ATOM 0 HB2 LEU A 978 41.862 -2.949 0.913 1.00 1.00 H new ATOM 0 HB3 LEU A 978 43.267 -1.982 1.318 1.00 1.00 H new ATOM 0 HG LEU A 978 42.169 -4.181 3.121 1.00 1.00 H new ATOM 0 HD11 LEU A 978 44.074 -5.546 2.272 1.00 1.00 H new ATOM 0 HD12 LEU A 978 42.959 -5.111 0.955 1.00 1.00 H new ATOM 0 HD13 LEU A 978 44.499 -4.239 1.141 1.00 1.00 H new ATOM 0 HD21 LEU A 978 44.391 -4.018 4.206 1.00 1.00 H new ATOM 0 HD22 LEU A 978 44.837 -2.703 3.093 1.00 1.00 H new ATOM 0 HD23 LEU A 978 43.525 -2.465 4.272 1.00 1.00 H new ATOM 348 N LEU A 979 40.240 -0.465 0.968 1.00 1.00 N ATOM 349 CA LEU A 979 39.829 0.686 0.164 1.00 1.00 C ATOM 350 C LEU A 979 39.351 1.839 1.037 1.00 1.00 C ATOM 351 O LEU A 979 39.724 2.993 0.807 1.00 1.00 O ATOM 352 CB LEU A 979 38.696 0.252 -0.779 1.00 1.00 C ATOM 353 CG LEU A 979 38.120 1.462 -1.528 1.00 1.00 C ATOM 354 CD1 LEU A 979 39.225 2.209 -2.270 1.00 1.00 C ATOM 355 CD2 LEU A 979 37.080 0.974 -2.537 1.00 1.00 C ATOM 0 H LEU A 979 39.704 -1.315 0.796 1.00 1.00 H new ATOM 0 HA LEU A 979 40.690 1.035 -0.405 1.00 1.00 H new ATOM 0 HB2 LEU A 979 39.072 -0.480 -1.494 1.00 1.00 H new ATOM 0 HB3 LEU A 979 37.907 -0.237 -0.207 1.00 1.00 H new ATOM 0 HG LEU A 979 37.661 2.139 -0.807 1.00 1.00 H new ATOM 0 HD11 LEU A 979 38.798 3.063 -2.795 1.00 1.00 H new ATOM 0 HD12 LEU A 979 39.971 2.558 -1.556 1.00 1.00 H new ATOM 0 HD13 LEU A 979 39.697 1.540 -2.990 1.00 1.00 H new ATOM 0 HD21 LEU A 979 36.665 1.827 -3.074 1.00 1.00 H new ATOM 0 HD22 LEU A 979 37.552 0.294 -3.246 1.00 1.00 H new ATOM 0 HD23 LEU A 979 36.280 0.452 -2.012 1.00 1.00 H new ATOM 367 N LEU A 980 38.530 1.533 2.032 1.00 1.00 N ATOM 368 CA LEU A 980 38.024 2.570 2.920 1.00 1.00 C ATOM 369 C LEU A 980 39.166 3.196 3.710 1.00 1.00 C ATOM 370 O LEU A 980 39.217 4.412 3.891 1.00 1.00 O ATOM 371 CB LEU A 980 36.976 1.983 3.878 1.00 1.00 C ATOM 372 CG LEU A 980 36.436 3.069 4.822 1.00 1.00 C ATOM 373 CD1 LEU A 980 35.824 4.218 4.010 1.00 1.00 C ATOM 374 CD2 LEU A 980 35.359 2.458 5.723 1.00 1.00 C ATOM 0 H LEU A 980 38.204 0.590 2.243 1.00 1.00 H new ATOM 0 HA LEU A 980 37.553 3.345 2.316 1.00 1.00 H new ATOM 0 HB2 LEU A 980 36.155 1.550 3.306 1.00 1.00 H new ATOM 0 HB3 LEU A 980 37.420 1.176 4.460 1.00 1.00 H new ATOM 0 HG LEU A 980 37.255 3.458 5.427 1.00 1.00 H new ATOM 0 HD11 LEU A 980 35.445 4.982 4.689 1.00 1.00 H new ATOM 0 HD12 LEU A 980 36.586 4.653 3.364 1.00 1.00 H new ATOM 0 HD13 LEU A 980 35.006 3.836 3.399 1.00 1.00 H new ATOM 0 HD21 LEU A 980 34.971 3.223 6.396 1.00 1.00 H new ATOM 0 HD22 LEU A 980 34.547 2.070 5.108 1.00 1.00 H new ATOM 0 HD23 LEU A 980 35.791 1.646 6.307 1.00 1.00 H new ATOM 386 N THR A 981 40.070 2.345 4.189 1.00 1.00 N ATOM 387 CA THR A 981 41.204 2.804 4.978 1.00 1.00 C ATOM 388 C THR A 981 42.114 3.713 4.158 1.00 1.00 C ATOM 389 O THR A 981 42.543 4.758 4.638 1.00 1.00 O ATOM 390 CB THR A 981 42.003 1.601 5.482 1.00 1.00 C ATOM 391 OG1 THR A 981 41.117 0.652 6.065 1.00 1.00 O ATOM 392 CG2 THR A 981 43.009 2.065 6.532 1.00 1.00 C ATOM 0 H THR A 981 40.037 1.336 4.043 1.00 1.00 H new ATOM 0 HA THR A 981 40.821 3.375 5.824 1.00 1.00 H new ATOM 0 HB THR A 981 42.531 1.140 4.647 1.00 1.00 H new ATOM 0 HG1 THR A 981 40.851 -0.006 5.389 1.00 1.00 H new ATOM 0 HG21 THR A 981 43.580 1.209 6.893 1.00 1.00 H new ATOM 0 HG22 THR A 981 43.688 2.793 6.088 1.00 1.00 H new ATOM 0 HG23 THR A 981 42.479 2.525 7.366 1.00 1.00 H new ATOM 400 N ILE A 982 42.416 3.304 2.926 1.00 1.00 N ATOM 401 CA ILE A 982 43.290 4.094 2.068 1.00 1.00 C ATOM 402 C ILE A 982 42.669 5.448 1.754 1.00 1.00 C ATOM 403 O ILE A 982 43.351 6.472 1.815 1.00 1.00 O ATOM 404 CB ILE A 982 43.578 3.342 0.762 1.00 1.00 C ATOM 405 CG1 ILE A 982 44.442 2.119 1.068 1.00 1.00 C ATOM 406 CG2 ILE A 982 44.327 4.262 -0.212 1.00 1.00 C ATOM 407 CD1 ILE A 982 44.478 1.215 -0.157 1.00 1.00 C ATOM 0 H ILE A 982 42.072 2.441 2.506 1.00 1.00 H new ATOM 0 HA ILE A 982 44.226 4.257 2.603 1.00 1.00 H new ATOM 0 HB ILE A 982 42.638 3.028 0.309 1.00 1.00 H new ATOM 0 HG12 ILE A 982 45.452 2.430 1.336 1.00 1.00 H new ATOM 0 HG13 ILE A 982 44.038 1.577 1.923 1.00 1.00 H new ATOM 0 HG21 ILE A 982 44.529 3.724 -1.138 1.00 1.00 H new ATOM 0 HG22 ILE A 982 43.716 5.138 -0.428 1.00 1.00 H new ATOM 0 HG23 ILE A 982 45.268 4.578 0.237 1.00 1.00 H new ATOM 0 HD11 ILE A 982 45.093 0.340 0.054 1.00 1.00 H new ATOM 0 HD12 ILE A 982 43.465 0.896 -0.404 1.00 1.00 H new ATOM 0 HD13 ILE A 982 44.902 1.761 -1.000 1.00 1.00 H new ATOM 419 N LEU A 983 41.377 5.463 1.427 1.00 1.00 N ATOM 420 CA LEU A 983 40.705 6.726 1.115 1.00 1.00 C ATOM 421 C LEU A 983 40.705 7.652 2.342 1.00 1.00 C ATOM 422 O LEU A 983 40.973 8.858 2.239 1.00 1.00 O ATOM 423 CB LEU A 983 39.260 6.442 0.667 1.00 1.00 C ATOM 424 CG LEU A 983 38.520 7.747 0.350 1.00 1.00 C ATOM 425 CD1 LEU A 983 39.261 8.510 -0.750 1.00 1.00 C ATOM 426 CD2 LEU A 983 37.102 7.419 -0.133 1.00 1.00 C ATOM 0 H LEU A 983 40.784 4.635 1.371 1.00 1.00 H new ATOM 0 HA LEU A 983 41.243 7.224 0.308 1.00 1.00 H new ATOM 0 HB2 LEU A 983 39.267 5.800 -0.214 1.00 1.00 H new ATOM 0 HB3 LEU A 983 38.731 5.901 1.452 1.00 1.00 H new ATOM 0 HG LEU A 983 38.474 8.362 1.249 1.00 1.00 H new ATOM 0 HD11 LEU A 983 38.731 9.436 -0.971 1.00 1.00 H new ATOM 0 HD12 LEU A 983 40.272 8.742 -0.414 1.00 1.00 H new ATOM 0 HD13 LEU A 983 39.309 7.896 -1.649 1.00 1.00 H new ATOM 0 HD21 LEU A 983 36.572 8.344 -0.360 1.00 1.00 H new ATOM 0 HD22 LEU A 983 37.157 6.803 -1.030 1.00 1.00 H new ATOM 0 HD23 LEU A 983 36.568 6.877 0.647 1.00 1.00 H new ATOM 438 N VAL A 984 40.411 7.061 3.501 1.00 1.00 N ATOM 439 CA VAL A 984 40.378 7.786 4.775 1.00 1.00 C ATOM 440 C VAL A 984 41.774 8.297 5.127 1.00 1.00 C ATOM 441 O VAL A 984 41.950 9.413 5.632 1.00 1.00 O ATOM 442 CB VAL A 984 39.881 6.870 5.898 1.00 1.00 C ATOM 443 CG1 VAL A 984 40.066 7.585 7.241 1.00 1.00 C ATOM 444 CG2 VAL A 984 38.399 6.578 5.676 1.00 1.00 C ATOM 0 H VAL A 984 40.189 6.069 3.585 1.00 1.00 H new ATOM 0 HA VAL A 984 39.696 8.630 4.670 1.00 1.00 H new ATOM 0 HB VAL A 984 40.443 5.936 5.900 1.00 1.00 H new ATOM 0 HG11 VAL A 984 39.715 6.941 8.047 1.00 1.00 H new ATOM 0 HG12 VAL A 984 41.122 7.811 7.390 1.00 1.00 H new ATOM 0 HG13 VAL A 984 39.493 8.512 7.242 1.00 1.00 H new ATOM 0 HG21 VAL A 984 38.034 5.926 6.470 1.00 1.00 H new ATOM 0 HG22 VAL A 984 37.838 7.513 5.687 1.00 1.00 H new ATOM 0 HG23 VAL A 984 38.265 6.086 4.712 1.00 1.00 H new ATOM 454 N LEU A 985 42.779 7.456 4.885 1.00 1.00 N ATOM 455 CA LEU A 985 44.155 7.854 5.226 1.00 1.00 C ATOM 456 C LEU A 985 44.592 9.099 4.428 1.00 1.00 C ATOM 457 O LEU A 985 45.204 10.029 4.973 1.00 1.00 O ATOM 458 CB LEU A 985 45.123 6.705 4.929 1.00 1.00 C ATOM 459 CG LEU A 985 46.557 7.098 5.302 1.00 1.00 C ATOM 460 CD1 LEU A 985 46.645 7.468 6.786 1.00 1.00 C ATOM 461 CD2 LEU A 985 47.468 5.905 5.023 1.00 1.00 C ATOM 0 H LEU A 985 42.681 6.529 4.471 1.00 1.00 H new ATOM 0 HA LEU A 985 44.176 8.094 6.289 1.00 1.00 H new ATOM 0 HB2 LEU A 985 44.826 5.818 5.489 1.00 1.00 H new ATOM 0 HB3 LEU A 985 45.075 6.446 3.871 1.00 1.00 H new ATOM 0 HG LEU A 985 46.862 7.963 4.713 1.00 1.00 H new ATOM 0 HD11 LEU A 985 47.670 7.744 7.032 1.00 1.00 H new ATOM 0 HD12 LEU A 985 45.983 8.310 6.991 1.00 1.00 H new ATOM 0 HD13 LEU A 985 46.344 6.614 7.392 1.00 1.00 H new ATOM 0 HD21 LEU A 985 48.495 6.163 5.282 1.00 1.00 H new ATOM 0 HD22 LEU A 985 47.146 5.053 5.622 1.00 1.00 H new ATOM 0 HD23 LEU A 985 47.414 5.646 3.966 1.00 1.00 H new ATOM 473 N ALA A 986 44.271 9.121 3.135 1.00 1.00 N ATOM 474 CA ALA A 986 44.652 10.264 2.299 1.00 1.00 C ATOM 475 C ALA A 986 43.943 11.529 2.774 1.00 1.00 C ATOM 476 O ALA A 986 44.552 12.595 2.886 1.00 1.00 O ATOM 477 CB ALA A 986 44.303 9.993 0.833 1.00 1.00 C ATOM 0 H ALA A 986 43.761 8.382 2.651 1.00 1.00 H new ATOM 0 HA ALA A 986 45.729 10.408 2.385 1.00 1.00 H new ATOM 0 HB1 ALA A 986 44.592 10.851 0.226 1.00 1.00 H new ATOM 0 HB2 ALA A 986 44.838 9.108 0.489 1.00 1.00 H new ATOM 0 HB3 ALA A 986 43.230 9.827 0.739 1.00 1.00 H new ATOM 483 N MET A 987 42.652 11.409 3.052 1.00 1.00 N ATOM 484 CA MET A 987 41.885 12.557 3.522 1.00 1.00 C ATOM 485 C MET A 987 42.380 13.016 4.900 1.00 1.00 C ATOM 486 O MET A 987 42.487 14.212 5.170 1.00 1.00 O ATOM 487 CB MET A 987 40.404 12.197 3.596 1.00 1.00 C ATOM 488 CG MET A 987 39.829 12.139 2.183 1.00 1.00 C ATOM 489 SD MET A 987 38.068 11.731 2.270 1.00 1.00 S ATOM 490 CE MET A 987 37.806 11.459 0.501 1.00 1.00 C ATOM 0 H MET A 987 42.120 10.544 2.963 1.00 1.00 H new ATOM 0 HA MET A 987 42.023 13.376 2.816 1.00 1.00 H new ATOM 0 HB2 MET A 987 40.276 11.235 4.093 1.00 1.00 H new ATOM 0 HB3 MET A 987 39.867 12.937 4.190 1.00 1.00 H new ATOM 0 HG2 MET A 987 39.968 13.097 1.682 1.00 1.00 H new ATOM 0 HG3 MET A 987 40.359 11.391 1.593 1.00 1.00 H new ATOM 0 HE1 MET A 987 37.179 12.255 0.099 1.00 1.00 H new ATOM 0 HE2 MET A 987 38.767 11.460 -0.013 1.00 1.00 H new ATOM 0 HE3 MET A 987 37.314 10.498 0.350 1.00 1.00 H new ATOM 500 N TRP A 988 42.670 12.050 5.768 1.00 1.00 N ATOM 501 CA TRP A 988 43.142 12.345 7.121 1.00 1.00 C ATOM 502 C TRP A 988 44.456 13.124 7.079 1.00 1.00 C ATOM 503 O TRP A 988 44.685 14.026 7.886 1.00 1.00 O ATOM 504 CB TRP A 988 43.333 11.039 7.905 1.00 1.00 C ATOM 505 CG TRP A 988 44.054 11.304 9.195 1.00 1.00 C ATOM 506 CD1 TRP A 988 43.976 12.446 9.926 1.00 1.00 C ATOM 507 CD2 TRP A 988 44.956 10.420 9.921 1.00 1.00 C ATOM 508 NE1 TRP A 988 44.779 12.316 11.046 1.00 1.00 N ATOM 509 CE2 TRP A 988 45.406 11.088 11.085 1.00 1.00 C ATOM 510 CE3 TRP A 988 45.428 9.117 9.680 1.00 1.00 C ATOM 511 CZ2 TRP A 988 46.293 10.484 11.978 1.00 1.00 C ATOM 512 CZ3 TRP A 988 46.319 8.505 10.576 1.00 1.00 C ATOM 513 CH2 TRP A 988 46.752 9.187 11.721 1.00 1.00 C ATOM 0 H TRP A 988 42.587 11.055 5.560 1.00 1.00 H new ATOM 0 HA TRP A 988 42.393 12.959 7.621 1.00 1.00 H new ATOM 0 HB2 TRP A 988 42.363 10.585 8.110 1.00 1.00 H new ATOM 0 HB3 TRP A 988 43.898 10.326 7.305 1.00 1.00 H new ATOM 0 HD1 TRP A 988 43.384 13.314 9.675 1.00 1.00 H new ATOM 0 HE1 TRP A 988 44.893 13.040 11.756 1.00 1.00 H new ATOM 0 HE3 TRP A 988 45.103 8.583 8.799 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 46.622 11.013 12.860 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 46.673 7.503 10.382 1.00 1.00 H new ATOM 0 HH2 TRP A 988 47.440 8.712 12.405 1.00 1.00 H new ATOM 524 N LYS A 989 45.324 12.752 6.149 1.00 1.00 N ATOM 525 CA LYS A 989 46.629 13.396 6.027 1.00 1.00 C ATOM 526 C LYS A 989 46.483 14.868 5.630 1.00 1.00 C ATOM 527 O LYS A 989 47.449 15.626 5.684 1.00 1.00 O ATOM 528 CB LYS A 989 47.465 12.665 4.965 1.00 1.00 C ATOM 529 CG LYS A 989 48.736 12.022 5.573 1.00 1.00 C ATOM 530 CD LYS A 989 49.906 13.031 5.673 1.00 1.00 C ATOM 531 CE LYS A 989 49.853 13.819 6.991 1.00 1.00 C ATOM 532 NZ LYS A 989 51.156 14.508 7.200 1.00 1.00 N ATOM 0 H LYS A 989 45.152 12.011 5.469 1.00 1.00 H new ATOM 0 HA LYS A 989 47.126 13.346 6.996 1.00 1.00 H new ATOM 0 HB2 LYS A 989 46.858 11.893 4.493 1.00 1.00 H new ATOM 0 HB3 LYS A 989 47.752 13.367 4.182 1.00 1.00 H new ATOM 0 HG2 LYS A 989 48.506 11.634 6.565 1.00 1.00 H new ATOM 0 HG3 LYS A 989 49.041 11.173 4.961 1.00 1.00 H new ATOM 0 HD2 LYS A 989 50.855 12.499 5.603 1.00 1.00 H new ATOM 0 HD3 LYS A 989 49.865 13.723 4.831 1.00 1.00 H new ATOM 0 HE2 LYS A 989 49.043 14.548 6.961 1.00 1.00 H new ATOM 0 HE3 LYS A 989 49.646 13.146 7.823 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 51.127 15.043 8.091 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 51.919 13.802 7.245 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 51.334 15.160 6.410 1.00 1.00 H new ATOM 546 N VAL A 990 45.284 15.277 5.228 1.00 1.00 N ATOM 547 CA VAL A 990 45.072 16.665 4.834 1.00 1.00 C ATOM 548 C VAL A 990 44.679 17.498 6.049 1.00 1.00 C ATOM 549 O VAL A 990 44.808 18.722 6.049 1.00 1.00 O ATOM 550 CB VAL A 990 43.975 16.747 3.771 1.00 1.00 C ATOM 551 CG1 VAL A 990 43.659 18.213 3.471 1.00 1.00 C ATOM 552 CG2 VAL A 990 44.458 16.059 2.493 1.00 1.00 C ATOM 0 H VAL A 990 44.459 14.680 5.167 1.00 1.00 H new ATOM 0 HA VAL A 990 45.999 17.058 4.418 1.00 1.00 H new ATOM 0 HB VAL A 990 43.076 16.252 4.137 1.00 1.00 H new ATOM 0 HG11 VAL A 990 42.877 18.269 2.713 1.00 1.00 H new ATOM 0 HG12 VAL A 990 43.318 18.705 4.382 1.00 1.00 H new ATOM 0 HG13 VAL A 990 44.556 18.711 3.104 1.00 1.00 H new ATOM 0 HG21 VAL A 990 43.679 16.115 1.733 1.00 1.00 H new ATOM 0 HG22 VAL A 990 45.357 16.557 2.129 1.00 1.00 H new ATOM 0 HG23 VAL A 990 44.683 15.014 2.705 1.00 1.00 H new ATOM 562 N GLY A 991 44.199 16.815 7.082 1.00 1.00 N ATOM 563 CA GLY A 991 43.783 17.480 8.310 1.00 1.00 C ATOM 564 C GLY A 991 42.398 18.083 8.139 1.00 1.00 C ATOM 565 O GLY A 991 41.867 18.727 9.045 1.00 1.00 O ATOM 0 H GLY A 991 44.088 15.801 7.093 1.00 1.00 H new ATOM 0 HA2 GLY A 991 43.778 16.767 9.134 1.00 1.00 H new ATOM 0 HA3 GLY A 991 44.498 18.261 8.569 1.00 1.00 H new ATOM 569 N PHE A 992 41.821 17.866 6.964 1.00 1.00 N ATOM 570 CA PHE A 992 40.491 18.386 6.660 1.00 1.00 C ATOM 571 C PHE A 992 39.440 17.805 7.597 1.00 1.00 C ATOM 572 O PHE A 992 38.545 18.513 8.059 1.00 1.00 O ATOM 573 CB PHE A 992 40.132 18.069 5.205 1.00 1.00 C ATOM 574 CG PHE A 992 38.685 18.419 4.882 1.00 1.00 C ATOM 575 CD1 PHE A 992 38.018 19.488 5.513 1.00 1.00 C ATOM 576 CD2 PHE A 992 38.010 17.657 3.919 1.00 1.00 C ATOM 577 CE1 PHE A 992 36.690 19.780 5.176 1.00 1.00 C ATOM 578 CE2 PHE A 992 36.683 17.952 3.587 1.00 1.00 C ATOM 579 CZ PHE A 992 36.024 19.013 4.215 1.00 1.00 C ATOM 0 H PHE A 992 42.251 17.335 6.206 1.00 1.00 H new ATOM 0 HA PHE A 992 40.506 19.466 6.805 1.00 1.00 H new ATOM 0 HB2 PHE A 992 40.795 18.622 4.540 1.00 1.00 H new ATOM 0 HB3 PHE A 992 40.300 17.009 5.013 1.00 1.00 H new ATOM 0 HD1 PHE A 992 38.530 20.082 6.256 1.00 1.00 H new ATOM 0 HD2 PHE A 992 38.517 16.838 3.430 1.00 1.00 H new ATOM 0 HE1 PHE A 992 36.179 20.600 5.660 1.00 1.00 H new ATOM 0 HE2 PHE A 992 36.168 17.360 2.845 1.00 1.00 H new ATOM 0 HZ PHE A 992 35.000 19.240 3.958 1.00 1.00 H new ATOM 589 N PHE A 993 39.540 16.505 7.850 1.00 1.00 N ATOM 590 CA PHE A 993 38.576 15.827 8.709 1.00 1.00 C ATOM 591 C PHE A 993 39.033 15.824 10.164 1.00 1.00 C ATOM 592 O PHE A 993 38.308 15.358 11.044 1.00 1.00 O ATOM 593 CB PHE A 993 38.406 14.387 8.234 1.00 1.00 C ATOM 594 CG PHE A 993 37.623 14.376 6.945 1.00 1.00 C ATOM 595 CD1 PHE A 993 38.296 14.481 5.724 1.00 1.00 C ATOM 596 CD2 PHE A 993 36.232 14.250 6.970 1.00 1.00 C ATOM 597 CE1 PHE A 993 37.576 14.459 4.523 1.00 1.00 C ATOM 598 CE2 PHE A 993 35.510 14.229 5.771 1.00 1.00 C ATOM 599 CZ PHE A 993 36.181 14.333 4.547 1.00 1.00 C ATOM 0 H PHE A 993 40.273 15.903 7.476 1.00 1.00 H new ATOM 0 HA PHE A 993 37.629 16.363 8.649 1.00 1.00 H new ATOM 0 HB2 PHE A 993 39.381 13.924 8.084 1.00 1.00 H new ATOM 0 HB3 PHE A 993 37.888 13.801 8.993 1.00 1.00 H new ATOM 0 HD1 PHE A 993 39.371 14.579 5.707 1.00 1.00 H new ATOM 0 HD2 PHE A 993 35.714 14.169 7.914 1.00 1.00 H new ATOM 0 HE1 PHE A 993 38.096 14.539 3.580 1.00 1.00 H new ATOM 0 HE2 PHE A 993 34.434 14.132 5.790 1.00 1.00 H new ATOM 0 HZ PHE A 993 35.624 14.316 3.622 1.00 1.00 H new ATOM 609 N LYS A 994 40.229 16.351 10.413 1.00 1.00 N ATOM 610 CA LYS A 994 40.759 16.408 11.773 1.00 1.00 C ATOM 611 C LYS A 994 40.819 17.855 12.249 1.00 1.00 C ATOM 612 O LYS A 994 41.418 18.711 11.597 1.00 1.00 O ATOM 613 CB LYS A 994 42.162 15.793 11.820 1.00 1.00 C ATOM 614 CG LYS A 994 42.666 15.767 13.267 1.00 1.00 C ATOM 615 CD LYS A 994 44.046 15.106 13.314 1.00 1.00 C ATOM 616 CE LYS A 994 44.545 15.066 14.761 1.00 1.00 C ATOM 617 NZ LYS A 994 45.883 14.410 14.807 1.00 1.00 N ATOM 0 H LYS A 994 40.844 16.741 9.699 1.00 1.00 H new ATOM 0 HA LYS A 994 40.099 15.840 12.429 1.00 1.00 H new ATOM 0 HB2 LYS A 994 42.140 14.782 11.414 1.00 1.00 H new ATOM 0 HB3 LYS A 994 42.844 16.372 11.197 1.00 1.00 H new ATOM 0 HG2 LYS A 994 42.723 16.781 13.662 1.00 1.00 H new ATOM 0 HG3 LYS A 994 41.966 15.218 13.897 1.00 1.00 H new ATOM 0 HD2 LYS A 994 43.991 14.095 12.909 1.00 1.00 H new ATOM 0 HD3 LYS A 994 44.748 15.661 12.691 1.00 1.00 H new ATOM 0 HE2 LYS A 994 44.610 16.077 15.163 1.00 1.00 H new ATOM 0 HE3 LYS A 994 43.838 14.520 15.386 1.00 1.00 H new ATOM 0 HZ1 LYS A 994 46.223 14.382 15.790 1.00 1.00 H new ATOM 0 HZ2 LYS A 994 45.807 13.440 14.440 1.00 1.00 H new ATOM 0 HZ3 LYS A 994 46.554 14.949 14.224 1.00 1.00 H new ATOM 631 N ARG A 995 40.202 18.117 13.394 1.00 1.00 N ATOM 632 CA ARG A 995 40.192 19.453 13.962 1.00 1.00 C ATOM 633 C ARG A 995 40.409 19.361 15.461 1.00 1.00 C ATOM 634 O ARG A 995 40.089 18.342 16.074 1.00 1.00 O ATOM 635 CB ARG A 995 38.862 20.148 13.667 1.00 1.00 C ATOM 636 CG ARG A 995 38.763 20.466 12.174 1.00 1.00 C ATOM 637 CD ARG A 995 37.422 21.147 11.897 1.00 1.00 C ATOM 638 NE ARG A 995 37.300 21.481 10.483 1.00 1.00 N ATOM 639 CZ ARG A 995 36.378 22.341 10.063 1.00 1.00 C ATOM 640 NH1 ARG A 995 35.571 22.902 10.921 1.00 1.00 N ATOM 641 NH2 ARG A 995 36.272 22.616 8.792 1.00 1.00 N ATOM 0 H ARG A 995 39.702 17.419 13.946 1.00 1.00 H new ATOM 0 HA ARG A 995 40.993 20.039 13.512 1.00 1.00 H new ATOM 0 HB2 ARG A 995 38.032 19.508 13.968 1.00 1.00 H new ATOM 0 HB3 ARG A 995 38.784 21.066 14.250 1.00 1.00 H new ATOM 0 HG2 ARG A 995 39.584 21.116 11.872 1.00 1.00 H new ATOM 0 HG3 ARG A 995 38.849 19.551 11.588 1.00 1.00 H new ATOM 0 HD2 ARG A 995 36.605 20.488 12.193 1.00 1.00 H new ATOM 0 HD3 ARG A 995 37.336 22.052 12.499 1.00 1.00 H new ATOM 0 HE ARG A 995 37.930 21.049 9.807 1.00 1.00 H new ATOM 0 HH11 ARG A 995 35.648 22.680 11.914 1.00 1.00 H new ATOM 0 HH12 ARG A 995 34.863 23.562 10.599 1.00 1.00 H new ATOM 0 HH21 ARG A 995 36.897 22.171 8.120 1.00 1.00 H new ATOM 0 HH22 ARG A 995 35.564 23.276 8.470 1.00 1.00 H new ATOM 808 N ASP B 692 25.034 -16.004 -11.055 1.00 1.00 N ATOM 809 CA ASP B 692 26.430 -16.011 -11.460 1.00 1.00 C ATOM 810 C ASP B 692 27.294 -15.367 -10.384 1.00 1.00 C ATOM 811 O ASP B 692 26.880 -14.407 -9.733 1.00 1.00 O ATOM 812 CB ASP B 692 26.596 -15.249 -12.776 1.00 1.00 C ATOM 813 CG ASP B 692 25.993 -16.053 -13.923 1.00 1.00 C ATOM 814 OD1 ASP B 692 25.734 -17.228 -13.724 1.00 1.00 O ATOM 815 OD2 ASP B 692 25.797 -15.481 -14.982 1.00 1.00 O ATOM 0 HA ASP B 692 26.748 -17.044 -11.599 1.00 1.00 H new ATOM 0 HB2 ASP B 692 26.109 -14.277 -12.707 1.00 1.00 H new ATOM 0 HB3 ASP B 692 27.653 -15.063 -12.967 1.00 1.00 H new ATOM 820 N ILE B 693 28.496 -15.898 -10.206 1.00 1.00 N ATOM 821 CA ILE B 693 29.410 -15.366 -9.207 1.00 1.00 C ATOM 822 C ILE B 693 29.792 -13.936 -9.560 1.00 1.00 C ATOM 823 O ILE B 693 30.139 -13.142 -8.688 1.00 1.00 O ATOM 824 CB ILE B 693 30.672 -16.230 -9.120 1.00 1.00 C ATOM 825 CG1 ILE B 693 31.508 -15.787 -7.912 1.00 1.00 C ATOM 826 CG2 ILE B 693 31.497 -16.065 -10.398 1.00 1.00 C ATOM 827 CD1 ILE B 693 32.613 -16.811 -7.645 1.00 1.00 C ATOM 0 H ILE B 693 28.858 -16.691 -10.736 1.00 1.00 H new ATOM 0 HA ILE B 693 28.909 -15.377 -8.239 1.00 1.00 H new ATOM 0 HB ILE B 693 30.389 -17.276 -9.006 1.00 1.00 H new ATOM 0 HG12 ILE B 693 31.945 -14.807 -8.100 1.00 1.00 H new ATOM 0 HG13 ILE B 693 30.871 -15.688 -7.033 1.00 1.00 H new ATOM 0 HG21 ILE B 693 32.394 -16.681 -10.334 1.00 1.00 H new ATOM 0 HG22 ILE B 693 30.903 -16.377 -11.257 1.00 1.00 H new ATOM 0 HG23 ILE B 693 31.782 -15.019 -10.515 1.00 1.00 H new ATOM 0 HD11 ILE B 693 33.204 -16.493 -6.786 1.00 1.00 H new ATOM 0 HD12 ILE B 693 32.166 -17.783 -7.437 1.00 1.00 H new ATOM 0 HD13 ILE B 693 33.257 -16.888 -8.521 1.00 1.00 H new ATOM 839 N LEU B 694 29.728 -13.612 -10.844 1.00 1.00 N ATOM 840 CA LEU B 694 30.078 -12.271 -11.296 1.00 1.00 C ATOM 841 C LEU B 694 29.137 -11.246 -10.671 1.00 1.00 C ATOM 842 O LEU B 694 29.564 -10.171 -10.252 1.00 1.00 O ATOM 843 CB LEU B 694 29.984 -12.191 -12.821 1.00 1.00 C ATOM 844 CG LEU B 694 31.097 -13.036 -13.454 1.00 1.00 C ATOM 845 CD1 LEU B 694 30.866 -13.136 -14.962 1.00 1.00 C ATOM 846 CD2 LEU B 694 32.468 -12.400 -13.191 1.00 1.00 C ATOM 0 H LEU B 694 29.440 -14.251 -11.585 1.00 1.00 H new ATOM 0 HA LEU B 694 31.101 -12.053 -10.988 1.00 1.00 H new ATOM 0 HB2 LEU B 694 29.009 -12.548 -13.154 1.00 1.00 H new ATOM 0 HB3 LEU B 694 30.072 -11.154 -13.146 1.00 1.00 H new ATOM 0 HG LEU B 694 31.078 -14.031 -13.009 1.00 1.00 H new ATOM 0 HD11 LEU B 694 31.657 -13.736 -15.412 1.00 1.00 H new ATOM 0 HD12 LEU B 694 29.901 -13.606 -15.152 1.00 1.00 H new ATOM 0 HD13 LEU B 694 30.876 -12.137 -15.399 1.00 1.00 H new ATOM 0 HD21 LEU B 694 33.246 -13.012 -13.647 1.00 1.00 H new ATOM 0 HD22 LEU B 694 32.494 -11.399 -13.623 1.00 1.00 H new ATOM 0 HD23 LEU B 694 32.639 -12.336 -12.116 1.00 1.00 H new ATOM 858 N VAL B 695 27.857 -11.589 -10.607 1.00 1.00 N ATOM 859 CA VAL B 695 26.865 -10.691 -10.029 1.00 1.00 C ATOM 860 C VAL B 695 27.154 -10.434 -8.550 1.00 1.00 C ATOM 861 O VAL B 695 27.075 -9.298 -8.083 1.00 1.00 O ATOM 862 CB VAL B 695 25.469 -11.293 -10.180 1.00 1.00 C ATOM 863 CG1 VAL B 695 24.461 -10.444 -9.403 1.00 1.00 C ATOM 864 CG2 VAL B 695 25.084 -11.317 -11.661 1.00 1.00 C ATOM 0 H VAL B 695 27.483 -12.476 -10.945 1.00 1.00 H new ATOM 0 HA VAL B 695 26.915 -9.741 -10.561 1.00 1.00 H new ATOM 0 HB VAL B 695 25.465 -12.310 -9.787 1.00 1.00 H new ATOM 0 HG11 VAL B 695 23.465 -10.873 -9.510 1.00 1.00 H new ATOM 0 HG12 VAL B 695 24.737 -10.426 -8.349 1.00 1.00 H new ATOM 0 HG13 VAL B 695 24.462 -9.427 -9.796 1.00 1.00 H new ATOM 0 HG21 VAL B 695 24.088 -11.746 -11.771 1.00 1.00 H new ATOM 0 HG22 VAL B 695 25.086 -10.300 -12.054 1.00 1.00 H new ATOM 0 HG23 VAL B 695 25.803 -11.922 -12.214 1.00 1.00 H new ATOM 874 N VAL B 696 27.473 -11.496 -7.815 1.00 1.00 N ATOM 875 CA VAL B 696 27.750 -11.368 -6.386 1.00 1.00 C ATOM 876 C VAL B 696 28.956 -10.466 -6.125 1.00 1.00 C ATOM 877 O VAL B 696 28.903 -9.591 -5.261 1.00 1.00 O ATOM 878 CB VAL B 696 28.011 -12.750 -5.784 1.00 1.00 C ATOM 879 CG1 VAL B 696 28.514 -12.597 -4.347 1.00 1.00 C ATOM 880 CG2 VAL B 696 26.714 -13.562 -5.790 1.00 1.00 C ATOM 0 H VAL B 696 27.546 -12.446 -8.180 1.00 1.00 H new ATOM 0 HA VAL B 696 26.877 -10.914 -5.917 1.00 1.00 H new ATOM 0 HB VAL B 696 28.765 -13.267 -6.377 1.00 1.00 H new ATOM 0 HG11 VAL B 696 28.699 -13.582 -3.920 1.00 1.00 H new ATOM 0 HG12 VAL B 696 29.439 -12.021 -4.345 1.00 1.00 H new ATOM 0 HG13 VAL B 696 27.762 -12.079 -3.752 1.00 1.00 H new ATOM 0 HG21 VAL B 696 26.899 -14.547 -5.361 1.00 1.00 H new ATOM 0 HG22 VAL B 696 25.958 -13.045 -5.199 1.00 1.00 H new ATOM 0 HG23 VAL B 696 26.359 -13.673 -6.815 1.00 1.00 H new ATOM 890 N LEU B 697 30.039 -10.673 -6.868 1.00 1.00 N ATOM 891 CA LEU B 697 31.235 -9.854 -6.686 1.00 1.00 C ATOM 892 C LEU B 697 30.941 -8.392 -7.007 1.00 1.00 C ATOM 893 O LEU B 697 31.382 -7.494 -6.289 1.00 1.00 O ATOM 894 CB LEU B 697 32.388 -10.358 -7.571 1.00 1.00 C ATOM 895 CG LEU B 697 33.166 -11.504 -6.888 1.00 1.00 C ATOM 896 CD1 LEU B 697 34.136 -10.927 -5.853 1.00 1.00 C ATOM 897 CD2 LEU B 697 32.220 -12.491 -6.189 1.00 1.00 C ATOM 0 H LEU B 697 30.115 -11.389 -7.591 1.00 1.00 H new ATOM 0 HA LEU B 697 31.536 -9.935 -5.641 1.00 1.00 H new ATOM 0 HB2 LEU B 697 31.991 -10.704 -8.525 1.00 1.00 H new ATOM 0 HB3 LEU B 697 33.068 -9.534 -7.789 1.00 1.00 H new ATOM 0 HG LEU B 697 33.714 -12.040 -7.663 1.00 1.00 H new ATOM 0 HD11 LEU B 697 34.682 -11.739 -5.374 1.00 1.00 H new ATOM 0 HD12 LEU B 697 34.840 -10.258 -6.348 1.00 1.00 H new ATOM 0 HD13 LEU B 697 33.577 -10.372 -5.100 1.00 1.00 H new ATOM 0 HD21 LEU B 697 32.803 -13.284 -5.720 1.00 1.00 H new ATOM 0 HD22 LEU B 697 31.643 -11.965 -5.428 1.00 1.00 H new ATOM 0 HD23 LEU B 697 31.541 -12.926 -6.923 1.00 1.00 H new ATOM 909 N LEU B 698 30.189 -8.153 -8.076 1.00 1.00 N ATOM 910 CA LEU B 698 29.848 -6.785 -8.450 1.00 1.00 C ATOM 911 C LEU B 698 29.006 -6.136 -7.354 1.00 1.00 C ATOM 912 O LEU B 698 29.215 -4.974 -6.999 1.00 1.00 O ATOM 913 CB LEU B 698 29.076 -6.774 -9.771 1.00 1.00 C ATOM 914 CG LEU B 698 30.012 -7.160 -10.919 1.00 1.00 C ATOM 915 CD1 LEU B 698 29.189 -7.386 -12.186 1.00 1.00 C ATOM 916 CD2 LEU B 698 31.039 -6.047 -11.171 1.00 1.00 C ATOM 0 H LEU B 698 29.810 -8.874 -8.689 1.00 1.00 H new ATOM 0 HA LEU B 698 30.770 -6.218 -8.574 1.00 1.00 H new ATOM 0 HB2 LEU B 698 28.240 -7.472 -9.720 1.00 1.00 H new ATOM 0 HB3 LEU B 698 28.655 -5.784 -9.949 1.00 1.00 H new ATOM 0 HG LEU B 698 30.542 -8.074 -10.651 1.00 1.00 H new ATOM 0 HD11 LEU B 698 29.852 -7.661 -13.006 1.00 1.00 H new ATOM 0 HD12 LEU B 698 28.471 -8.188 -12.015 1.00 1.00 H new ATOM 0 HD13 LEU B 698 28.656 -6.470 -12.442 1.00 1.00 H new ATOM 0 HD21 LEU B 698 31.697 -6.337 -11.990 1.00 1.00 H new ATOM 0 HD22 LEU B 698 30.520 -5.125 -11.432 1.00 1.00 H new ATOM 0 HD23 LEU B 698 31.631 -5.887 -10.270 1.00 1.00 H new ATOM 928 N SER B 699 28.057 -6.898 -6.817 1.00 1.00 N ATOM 929 CA SER B 699 27.194 -6.389 -5.756 1.00 1.00 C ATOM 930 C SER B 699 28.023 -5.998 -4.536 1.00 1.00 C ATOM 931 O SER B 699 27.786 -4.959 -3.917 1.00 1.00 O ATOM 932 CB SER B 699 26.164 -7.451 -5.359 1.00 1.00 C ATOM 933 OG SER B 699 25.358 -7.769 -6.485 1.00 1.00 O ATOM 0 H SER B 699 27.867 -7.861 -7.096 1.00 1.00 H new ATOM 0 HA SER B 699 26.675 -5.506 -6.129 1.00 1.00 H new ATOM 0 HB2 SER B 699 26.669 -8.346 -4.995 1.00 1.00 H new ATOM 0 HB3 SER B 699 25.541 -7.083 -4.544 1.00 1.00 H new ATOM 0 HG SER B 699 25.881 -8.297 -7.123 1.00 1.00 H new ATOM 939 N VAL B 700 29.002 -6.835 -4.202 1.00 1.00 N ATOM 940 CA VAL B 700 29.865 -6.570 -3.058 1.00 1.00 C ATOM 941 C VAL B 700 30.655 -5.283 -3.262 1.00 1.00 C ATOM 942 O VAL B 700 30.763 -4.459 -2.356 1.00 1.00 O ATOM 943 CB VAL B 700 30.841 -7.736 -2.850 1.00 1.00 C ATOM 944 CG1 VAL B 700 31.902 -7.336 -1.822 1.00 1.00 C ATOM 945 CG2 VAL B 700 30.076 -8.961 -2.336 1.00 1.00 C ATOM 0 H VAL B 700 29.215 -7.697 -4.705 1.00 1.00 H new ATOM 0 HA VAL B 700 29.233 -6.461 -2.177 1.00 1.00 H new ATOM 0 HB VAL B 700 31.322 -7.978 -3.798 1.00 1.00 H new ATOM 0 HG11 VAL B 700 32.595 -8.164 -1.674 1.00 1.00 H new ATOM 0 HG12 VAL B 700 32.449 -6.465 -2.183 1.00 1.00 H new ATOM 0 HG13 VAL B 700 31.419 -7.094 -0.876 1.00 1.00 H new ATOM 0 HG21 VAL B 700 30.770 -9.788 -2.189 1.00 1.00 H new ATOM 0 HG22 VAL B 700 29.595 -8.718 -1.389 1.00 1.00 H new ATOM 0 HG23 VAL B 700 29.318 -9.249 -3.065 1.00 1.00 H new ATOM 955 N MET B 701 31.217 -5.119 -4.451 1.00 1.00 N ATOM 956 CA MET B 701 32.008 -3.930 -4.745 1.00 1.00 C ATOM 957 C MET B 701 31.155 -2.667 -4.670 1.00 1.00 C ATOM 958 O MET B 701 31.595 -1.643 -4.151 1.00 1.00 O ATOM 959 CB MET B 701 32.621 -4.048 -6.140 1.00 1.00 C ATOM 960 CG MET B 701 33.793 -5.030 -6.101 1.00 1.00 C ATOM 961 SD MET B 701 34.453 -5.250 -7.774 1.00 1.00 S ATOM 962 CE MET B 701 35.165 -3.595 -7.975 1.00 1.00 C ATOM 0 H MET B 701 31.142 -5.785 -5.220 1.00 1.00 H new ATOM 0 HA MET B 701 32.798 -3.857 -3.998 1.00 1.00 H new ATOM 0 HB2 MET B 701 31.869 -4.390 -6.851 1.00 1.00 H new ATOM 0 HB3 MET B 701 32.962 -3.071 -6.483 1.00 1.00 H new ATOM 0 HG2 MET B 701 34.573 -4.656 -5.437 1.00 1.00 H new ATOM 0 HG3 MET B 701 33.465 -5.989 -5.699 1.00 1.00 H new ATOM 0 HE1 MET B 701 35.976 -3.634 -8.702 1.00 1.00 H new ATOM 0 HE2 MET B 701 34.395 -2.908 -8.326 1.00 1.00 H new ATOM 0 HE3 MET B 701 35.553 -3.247 -7.018 1.00 1.00 H new ATOM 972 N GLY B 702 29.938 -2.743 -5.195 1.00 1.00 N ATOM 973 CA GLY B 702 29.039 -1.593 -5.182 1.00 1.00 C ATOM 974 C GLY B 702 28.671 -1.192 -3.756 1.00 1.00 C ATOM 975 O GLY B 702 28.608 -0.007 -3.431 1.00 1.00 O ATOM 0 H GLY B 702 29.552 -3.580 -5.632 1.00 1.00 H new ATOM 0 HA2 GLY B 702 29.514 -0.752 -5.687 1.00 1.00 H new ATOM 0 HA3 GLY B 702 28.133 -1.830 -5.740 1.00 1.00 H new ATOM 979 N ALA B 703 28.424 -2.187 -2.915 1.00 1.00 N ATOM 980 CA ALA B 703 28.055 -1.934 -1.526 1.00 1.00 C ATOM 981 C ALA B 703 29.194 -1.264 -0.762 1.00 1.00 C ATOM 982 O ALA B 703 28.960 -0.397 0.078 1.00 1.00 O ATOM 983 CB ALA B 703 27.686 -3.251 -0.842 1.00 1.00 C ATOM 0 H ALA B 703 28.472 -3.174 -3.168 1.00 1.00 H new ATOM 0 HA ALA B 703 27.198 -1.260 -1.521 1.00 1.00 H new ATOM 0 HB1 ALA B 703 27.411 -3.058 0.195 1.00 1.00 H new ATOM 0 HB2 ALA B 703 26.844 -3.707 -1.362 1.00 1.00 H new ATOM 0 HB3 ALA B 703 28.540 -3.928 -0.871 1.00 1.00 H new ATOM 989 N ILE B 704 30.425 -1.679 -1.045 1.00 1.00 N ATOM 990 CA ILE B 704 31.586 -1.117 -0.357 1.00 1.00 C ATOM 991 C ILE B 704 31.751 0.370 -0.645 1.00 1.00 C ATOM 992 O ILE B 704 32.010 1.156 0.267 1.00 1.00 O ATOM 993 CB ILE B 704 32.848 -1.852 -0.796 1.00 1.00 C ATOM 994 CG1 ILE B 704 32.817 -3.286 -0.261 1.00 1.00 C ATOM 995 CG2 ILE B 704 34.073 -1.121 -0.246 1.00 1.00 C ATOM 996 CD1 ILE B 704 33.889 -4.121 -0.966 1.00 1.00 C ATOM 0 H ILE B 704 30.645 -2.394 -1.738 1.00 1.00 H new ATOM 0 HA ILE B 704 31.426 -1.241 0.714 1.00 1.00 H new ATOM 0 HB ILE B 704 32.899 -1.878 -1.885 1.00 1.00 H new ATOM 0 HG12 ILE B 704 32.990 -3.287 0.815 1.00 1.00 H new ATOM 0 HG13 ILE B 704 31.833 -3.725 -0.426 1.00 1.00 H new ATOM 0 HG21 ILE B 704 34.978 -1.643 -0.557 1.00 1.00 H new ATOM 0 HG22 ILE B 704 34.091 -0.101 -0.631 1.00 1.00 H new ATOM 0 HG23 ILE B 704 34.024 -1.097 0.843 1.00 1.00 H new ATOM 0 HD11 ILE B 704 33.865 -5.141 -0.584 1.00 1.00 H new ATOM 0 HD12 ILE B 704 33.696 -4.131 -2.039 1.00 1.00 H new ATOM 0 HD13 ILE B 704 34.871 -3.686 -0.778 1.00 1.00 H new ATOM 1008 N LEU B 705 31.601 0.759 -1.904 1.00 1.00 N ATOM 1009 CA LEU B 705 31.741 2.167 -2.262 1.00 1.00 C ATOM 1010 C LEU B 705 30.670 2.999 -1.571 1.00 1.00 C ATOM 1011 O LEU B 705 30.949 4.090 -1.073 1.00 1.00 O ATOM 1012 CB LEU B 705 31.657 2.360 -3.784 1.00 1.00 C ATOM 1013 CG LEU B 705 33.028 2.129 -4.455 1.00 1.00 C ATOM 1014 CD1 LEU B 705 33.917 3.362 -4.261 1.00 1.00 C ATOM 1015 CD2 LEU B 705 33.737 0.902 -3.864 1.00 1.00 C ATOM 0 H LEU B 705 31.387 0.135 -2.682 1.00 1.00 H new ATOM 0 HA LEU B 705 32.722 2.503 -1.927 1.00 1.00 H new ATOM 0 HB2 LEU B 705 30.925 1.668 -4.201 1.00 1.00 H new ATOM 0 HB3 LEU B 705 31.306 3.368 -4.006 1.00 1.00 H new ATOM 0 HG LEU B 705 32.855 1.955 -5.517 1.00 1.00 H new ATOM 0 HD11 LEU B 705 34.883 3.193 -4.737 1.00 1.00 H new ATOM 0 HD12 LEU B 705 33.438 4.231 -4.712 1.00 1.00 H new ATOM 0 HD13 LEU B 705 34.064 3.541 -3.196 1.00 1.00 H new ATOM 0 HD21 LEU B 705 34.700 0.765 -4.357 1.00 1.00 H new ATOM 0 HD22 LEU B 705 33.894 1.052 -2.796 1.00 1.00 H new ATOM 0 HD23 LEU B 705 33.121 0.016 -4.019 1.00 1.00 H new ATOM 1027 N LEU B 706 29.448 2.482 -1.535 1.00 1.00 N ATOM 1028 CA LEU B 706 28.357 3.201 -0.888 1.00 1.00 C ATOM 1029 C LEU B 706 28.650 3.377 0.600 1.00 1.00 C ATOM 1030 O LEU B 706 28.442 4.454 1.158 1.00 1.00 O ATOM 1031 CB LEU B 706 27.044 2.429 -1.075 1.00 1.00 C ATOM 1032 CG LEU B 706 25.886 3.159 -0.379 1.00 1.00 C ATOM 1033 CD1 LEU B 706 25.759 4.582 -0.927 1.00 1.00 C ATOM 1034 CD2 LEU B 706 24.581 2.403 -0.639 1.00 1.00 C ATOM 0 H LEU B 706 29.189 1.582 -1.939 1.00 1.00 H new ATOM 0 HA LEU B 706 28.262 4.186 -1.345 1.00 1.00 H new ATOM 0 HB2 LEU B 706 26.827 2.321 -2.138 1.00 1.00 H new ATOM 0 HB3 LEU B 706 27.145 1.423 -0.667 1.00 1.00 H new ATOM 0 HG LEU B 706 26.084 3.202 0.692 1.00 1.00 H new ATOM 0 HD11 LEU B 706 24.935 5.092 -0.428 1.00 1.00 H new ATOM 0 HD12 LEU B 706 26.686 5.126 -0.745 1.00 1.00 H new ATOM 0 HD13 LEU B 706 25.565 4.543 -1.999 1.00 1.00 H new ATOM 0 HD21 LEU B 706 23.757 2.919 -0.146 1.00 1.00 H new ATOM 0 HD22 LEU B 706 24.393 2.361 -1.712 1.00 1.00 H new ATOM 0 HD23 LEU B 706 24.663 1.390 -0.245 1.00 1.00 H new ATOM 1046 N ILE B 707 29.137 2.315 1.237 1.00 1.00 N ATOM 1047 CA ILE B 707 29.456 2.372 2.660 1.00 1.00 C ATOM 1048 C ILE B 707 30.586 3.360 2.933 1.00 1.00 C ATOM 1049 O ILE B 707 30.518 4.144 3.880 1.00 1.00 O ATOM 1050 CB ILE B 707 29.851 0.986 3.168 1.00 1.00 C ATOM 1051 CG1 ILE B 707 28.625 0.070 3.144 1.00 1.00 C ATOM 1052 CG2 ILE B 707 30.375 1.095 4.602 1.00 1.00 C ATOM 1053 CD1 ILE B 707 29.064 -1.377 3.368 1.00 1.00 C ATOM 0 H ILE B 707 29.318 1.413 0.795 1.00 1.00 H new ATOM 0 HA ILE B 707 28.566 2.712 3.189 1.00 1.00 H new ATOM 0 HB ILE B 707 30.631 0.573 2.528 1.00 1.00 H new ATOM 0 HG12 ILE B 707 27.918 0.371 3.918 1.00 1.00 H new ATOM 0 HG13 ILE B 707 28.109 0.161 2.188 1.00 1.00 H new ATOM 0 HG21 ILE B 707 30.656 0.106 4.963 1.00 1.00 H new ATOM 0 HG22 ILE B 707 31.246 1.750 4.622 1.00 1.00 H new ATOM 0 HG23 ILE B 707 29.596 1.507 5.244 1.00 1.00 H new ATOM 0 HD11 ILE B 707 28.191 -2.029 3.351 1.00 1.00 H new ATOM 0 HD12 ILE B 707 29.754 -1.674 2.578 1.00 1.00 H new ATOM 0 HD13 ILE B 707 29.561 -1.461 4.335 1.00 1.00 H new ATOM 1065 N GLY B 708 31.626 3.320 2.104 1.00 1.00 N ATOM 1066 CA GLY B 708 32.757 4.223 2.285 1.00 1.00 C ATOM 1067 C GLY B 708 32.318 5.670 2.105 1.00 1.00 C ATOM 1068 O GLY B 708 32.709 6.553 2.869 1.00 1.00 O ATOM 0 H GLY B 708 31.709 2.682 1.312 1.00 1.00 H new ATOM 0 HA2 GLY B 708 33.183 4.087 3.279 1.00 1.00 H new ATOM 0 HA3 GLY B 708 33.541 3.982 1.567 1.00 1.00 H new ATOM 1072 N LEU B 709 31.493 5.900 1.093 1.00 1.00 N ATOM 1073 CA LEU B 709 30.986 7.236 0.812 1.00 1.00 C ATOM 1074 C LEU B 709 30.123 7.740 1.967 1.00 1.00 C ATOM 1075 O LEU B 709 30.205 8.905 2.356 1.00 1.00 O ATOM 1076 CB LEU B 709 30.170 7.208 -0.484 1.00 1.00 C ATOM 1077 CG LEU B 709 29.602 8.599 -0.797 1.00 1.00 C ATOM 1078 CD1 LEU B 709 30.738 9.618 -0.900 1.00 1.00 C ATOM 1079 CD2 LEU B 709 28.850 8.546 -2.128 1.00 1.00 C ATOM 0 H LEU B 709 31.161 5.179 0.453 1.00 1.00 H new ATOM 0 HA LEU B 709 31.829 7.917 0.696 1.00 1.00 H new ATOM 0 HB2 LEU B 709 30.799 6.873 -1.309 1.00 1.00 H new ATOM 0 HB3 LEU B 709 29.356 6.489 -0.392 1.00 1.00 H new ATOM 0 HG LEU B 709 28.925 8.899 0.003 1.00 1.00 H new ATOM 0 HD11 LEU B 709 30.325 10.602 -1.122 1.00 1.00 H new ATOM 0 HD12 LEU B 709 31.279 9.657 0.046 1.00 1.00 H new ATOM 0 HD13 LEU B 709 31.421 9.323 -1.697 1.00 1.00 H new ATOM 0 HD21 LEU B 709 28.444 9.532 -2.356 1.00 1.00 H new ATOM 0 HD22 LEU B 709 29.534 8.243 -2.921 1.00 1.00 H new ATOM 0 HD23 LEU B 709 28.035 7.825 -2.057 1.00 1.00 H new ATOM 1091 N ALA B 710 29.282 6.858 2.502 1.00 1.00 N ATOM 1092 CA ALA B 710 28.395 7.230 3.599 1.00 1.00 C ATOM 1093 C ALA B 710 29.191 7.645 4.833 1.00 1.00 C ATOM 1094 O ALA B 710 28.820 8.592 5.526 1.00 1.00 O ATOM 1095 CB ALA B 710 27.483 6.052 3.951 1.00 1.00 C ATOM 0 H ALA B 710 29.197 5.889 2.196 1.00 1.00 H new ATOM 0 HA ALA B 710 27.793 8.079 3.276 1.00 1.00 H new ATOM 0 HB1 ALA B 710 26.823 6.335 4.771 1.00 1.00 H new ATOM 0 HB2 ALA B 710 26.885 5.782 3.080 1.00 1.00 H new ATOM 0 HB3 ALA B 710 28.091 5.199 4.253 1.00 1.00 H new ATOM 1101 N ALA B 711 30.284 6.939 5.106 1.00 1.00 N ATOM 1102 CA ALA B 711 31.108 7.266 6.264 1.00 1.00 C ATOM 1103 C ALA B 711 31.702 8.662 6.112 1.00 1.00 C ATOM 1104 O ALA B 711 31.764 9.431 7.073 1.00 1.00 O ATOM 1105 CB ALA B 711 32.235 6.242 6.410 1.00 1.00 C ATOM 0 H ALA B 711 30.616 6.150 4.552 1.00 1.00 H new ATOM 0 HA ALA B 711 30.481 7.241 7.155 1.00 1.00 H new ATOM 0 HB1 ALA B 711 32.845 6.494 7.277 1.00 1.00 H new ATOM 0 HB2 ALA B 711 31.808 5.248 6.543 1.00 1.00 H new ATOM 0 HB3 ALA B 711 32.855 6.254 5.514 1.00 1.00 H new ATOM 1111 N LEU B 712 32.130 8.981 4.895 1.00 1.00 N ATOM 1112 CA LEU B 712 32.710 10.289 4.612 1.00 1.00 C ATOM 1113 C LEU B 712 31.674 11.390 4.822 1.00 1.00 C ATOM 1114 O LEU B 712 31.982 12.455 5.358 1.00 1.00 O ATOM 1115 CB LEU B 712 33.217 10.330 3.168 1.00 1.00 C ATOM 1116 CG LEU B 712 34.430 9.404 3.021 1.00 1.00 C ATOM 1117 CD1 LEU B 712 34.798 9.289 1.544 1.00 1.00 C ATOM 1118 CD2 LEU B 712 35.628 9.959 3.806 1.00 1.00 C ATOM 0 H LEU B 712 32.087 8.354 4.091 1.00 1.00 H new ATOM 0 HA LEU B 712 33.543 10.455 5.295 1.00 1.00 H new ATOM 0 HB2 LEU B 712 32.426 10.020 2.485 1.00 1.00 H new ATOM 0 HB3 LEU B 712 33.491 11.350 2.897 1.00 1.00 H new ATOM 0 HG LEU B 712 34.176 8.422 3.419 1.00 1.00 H new ATOM 0 HD11 LEU B 712 35.660 8.631 1.434 1.00 1.00 H new ATOM 0 HD12 LEU B 712 33.955 8.877 0.990 1.00 1.00 H new ATOM 0 HD13 LEU B 712 35.042 10.276 1.152 1.00 1.00 H new ATOM 0 HD21 LEU B 712 36.480 9.289 3.691 1.00 1.00 H new ATOM 0 HD22 LEU B 712 35.888 10.946 3.424 1.00 1.00 H new ATOM 0 HD23 LEU B 712 35.367 10.036 4.862 1.00 1.00 H new ATOM 1130 N LEU B 713 30.450 11.125 4.379 1.00 1.00 N ATOM 1131 CA LEU B 713 29.367 12.096 4.500 1.00 1.00 C ATOM 1132 C LEU B 713 29.067 12.411 5.963 1.00 1.00 C ATOM 1133 O LEU B 713 28.852 13.567 6.321 1.00 1.00 O ATOM 1134 CB LEU B 713 28.105 11.551 3.814 1.00 1.00 C ATOM 1135 CG LEU B 713 26.946 12.551 3.943 1.00 1.00 C ATOM 1136 CD1 LEU B 713 27.349 13.901 3.346 1.00 1.00 C ATOM 1137 CD2 LEU B 713 25.730 12.011 3.188 1.00 1.00 C ATOM 0 H LEU B 713 30.182 10.247 3.933 1.00 1.00 H new ATOM 0 HA LEU B 713 29.680 13.019 4.013 1.00 1.00 H new ATOM 0 HB2 LEU B 713 28.311 11.358 2.761 1.00 1.00 H new ATOM 0 HB3 LEU B 713 27.823 10.599 4.263 1.00 1.00 H new ATOM 0 HG LEU B 713 26.703 12.684 4.997 1.00 1.00 H new ATOM 0 HD11 LEU B 713 26.521 14.603 3.442 1.00 1.00 H new ATOM 0 HD12 LEU B 713 28.218 14.289 3.878 1.00 1.00 H new ATOM 0 HD13 LEU B 713 27.596 13.774 2.292 1.00 1.00 H new ATOM 0 HD21 LEU B 713 24.904 12.717 3.276 1.00 1.00 H new ATOM 0 HD22 LEU B 713 25.984 11.879 2.136 1.00 1.00 H new ATOM 0 HD23 LEU B 713 25.434 11.052 3.613 1.00 1.00 H new ATOM 1149 N ILE B 714 29.046 11.385 6.805 1.00 1.00 N ATOM 1150 CA ILE B 714 28.759 11.591 8.222 1.00 1.00 C ATOM 1151 C ILE B 714 29.840 12.462 8.859 1.00 1.00 C ATOM 1152 O ILE B 714 29.539 13.380 9.622 1.00 1.00 O ATOM 1153 CB ILE B 714 28.701 10.242 8.951 1.00 1.00 C ATOM 1154 CG1 ILE B 714 27.485 9.425 8.472 1.00 1.00 C ATOM 1155 CG2 ILE B 714 28.622 10.464 10.465 1.00 1.00 C ATOM 1156 CD1 ILE B 714 26.164 10.162 8.752 1.00 1.00 C ATOM 0 H ILE B 714 29.221 10.416 6.539 1.00 1.00 H new ATOM 0 HA ILE B 714 27.795 12.092 8.309 1.00 1.00 H new ATOM 0 HB ILE B 714 29.609 9.683 8.722 1.00 1.00 H new ATOM 0 HG12 ILE B 714 27.575 9.230 7.403 1.00 1.00 H new ATOM 0 HG13 ILE B 714 27.476 8.457 8.973 1.00 1.00 H new ATOM 0 HG21 ILE B 714 28.581 9.500 10.972 1.00 1.00 H new ATOM 0 HG22 ILE B 714 29.503 11.013 10.799 1.00 1.00 H new ATOM 0 HG23 ILE B 714 27.726 11.037 10.702 1.00 1.00 H new ATOM 0 HD11 ILE B 714 25.328 9.557 8.401 1.00 1.00 H new ATOM 0 HD12 ILE B 714 26.063 10.334 9.824 1.00 1.00 H new ATOM 0 HD13 ILE B 714 26.163 11.119 8.230 1.00 1.00 H new ATOM 1168 N TRP B 715 31.097 12.175 8.535 1.00 1.00 N ATOM 1169 CA TRP B 715 32.212 12.944 9.076 1.00 1.00 C ATOM 1170 C TRP B 715 32.093 14.403 8.615 1.00 1.00 C ATOM 1171 O TRP B 715 32.246 15.345 9.398 1.00 1.00 O ATOM 1172 CB TRP B 715 33.530 12.330 8.589 1.00 1.00 C ATOM 1173 CG TRP B 715 34.617 12.552 9.600 1.00 1.00 C ATOM 1174 CD1 TRP B 715 34.680 13.578 10.483 1.00 1.00 C ATOM 1175 CD2 TRP B 715 35.803 11.739 9.840 1.00 1.00 C ATOM 1176 NE1 TRP B 715 35.827 13.445 11.243 1.00 1.00 N ATOM 1177 CE2 TRP B 715 36.552 12.328 10.885 1.00 1.00 C ATOM 1178 CE3 TRP B 715 36.296 10.558 9.256 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 37.747 11.767 11.336 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 37.499 9.990 9.707 1.00 1.00 C ATOM 1181 CH2 TRP B 715 38.223 10.594 10.744 1.00 1.00 C ATOM 0 H TRP B 715 31.368 11.420 7.904 1.00 1.00 H new ATOM 0 HA TRP B 715 32.193 12.919 10.166 1.00 1.00 H new ATOM 0 HB2 TRP B 715 33.399 11.262 8.416 1.00 1.00 H new ATOM 0 HB3 TRP B 715 33.815 12.775 7.636 1.00 1.00 H new ATOM 0 HD1 TRP B 715 33.953 14.371 10.578 1.00 1.00 H new ATOM 0 HE1 TRP B 715 36.104 14.094 11.979 1.00 1.00 H new ATOM 0 HE3 TRP B 715 35.746 10.085 8.456 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 38.300 12.236 12.137 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 37.868 9.083 9.252 1.00 1.00 H new ATOM 0 HH2 TRP B 715 39.148 10.153 11.085 1.00 1.00 H new ATOM 1192 N LYS B 716 31.800 14.574 7.328 1.00 1.00 N ATOM 1193 CA LYS B 716 31.639 15.907 6.742 1.00 1.00 C ATOM 1194 C LYS B 716 30.460 16.622 7.404 1.00 1.00 C ATOM 1195 O LYS B 716 30.504 17.824 7.659 1.00 1.00 O ATOM 1196 CB LYS B 716 31.361 15.781 5.231 1.00 1.00 C ATOM 1197 CG LYS B 716 32.566 16.249 4.378 1.00 1.00 C ATOM 1198 CD LYS B 716 32.450 17.743 4.026 1.00 1.00 C ATOM 1199 CE LYS B 716 32.771 18.595 5.251 1.00 1.00 C ATOM 1200 NZ LYS B 716 32.901 20.023 4.855 1.00 1.00 N ATOM 0 H LYS B 716 31.669 13.807 6.669 1.00 1.00 H new ATOM 0 HA LYS B 716 32.554 16.477 6.902 1.00 1.00 H new ATOM 0 HB2 LYS B 716 31.128 14.744 4.991 1.00 1.00 H new ATOM 0 HB3 LYS B 716 30.483 16.373 4.973 1.00 1.00 H new ATOM 0 HG2 LYS B 716 33.493 16.072 4.924 1.00 1.00 H new ATOM 0 HG3 LYS B 716 32.618 15.660 3.463 1.00 1.00 H new ATOM 0 HD2 LYS B 716 33.134 17.988 3.213 1.00 1.00 H new ATOM 0 HD3 LYS B 716 31.443 17.965 3.673 1.00 1.00 H new ATOM 0 HE2 LYS B 716 31.984 18.486 5.997 1.00 1.00 H new ATOM 0 HE3 LYS B 716 33.697 18.251 5.712 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 33.861 20.358 5.074 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 32.726 20.117 3.834 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 32.207 20.593 5.379 1.00 1.00 H new ATOM 1214 N LEU B 717 29.401 15.869 7.678 1.00 1.00 N ATOM 1215 CA LEU B 717 28.209 16.440 8.303 1.00 1.00 C ATOM 1216 C LEU B 717 28.549 17.005 9.685 1.00 1.00 C ATOM 1217 O LEU B 717 28.071 18.081 10.063 1.00 1.00 O ATOM 1218 CB LEU B 717 27.115 15.364 8.425 1.00 1.00 C ATOM 1219 CG LEU B 717 25.862 15.946 9.082 1.00 1.00 C ATOM 1220 CD1 LEU B 717 25.343 17.133 8.264 1.00 1.00 C ATOM 1221 CD2 LEU B 717 24.788 14.859 9.142 1.00 1.00 C ATOM 0 H LEU B 717 29.341 14.870 7.480 1.00 1.00 H new ATOM 0 HA LEU B 717 27.840 17.253 7.678 1.00 1.00 H new ATOM 0 HB2 LEU B 717 26.868 14.975 7.437 1.00 1.00 H new ATOM 0 HB3 LEU B 717 27.486 14.525 9.014 1.00 1.00 H new ATOM 0 HG LEU B 717 26.104 16.290 10.088 1.00 1.00 H new ATOM 0 HD11 LEU B 717 24.451 17.540 8.740 1.00 1.00 H new ATOM 0 HD12 LEU B 717 26.112 17.904 8.214 1.00 1.00 H new ATOM 0 HD13 LEU B 717 25.097 16.800 7.256 1.00 1.00 H new ATOM 0 HD21 LEU B 717 23.889 15.261 9.609 1.00 1.00 H new ATOM 0 HD22 LEU B 717 24.553 14.523 8.132 1.00 1.00 H new ATOM 0 HD23 LEU B 717 25.155 14.017 9.728 1.00 1.00 H new ATOM 1233 N LEU B 718 29.365 16.273 10.438 1.00 1.00 N ATOM 1234 CA LEU B 718 29.738 16.721 11.771 1.00 1.00 C ATOM 1235 C LEU B 718 30.492 18.042 11.703 1.00 1.00 C ATOM 1236 O LEU B 718 30.213 18.944 12.479 1.00 1.00 O ATOM 1237 CB LEU B 718 30.613 15.664 12.445 1.00 1.00 C ATOM 1238 CG LEU B 718 29.774 14.422 12.756 1.00 1.00 C ATOM 1239 CD1 LEU B 718 30.705 13.299 13.216 1.00 1.00 C ATOM 1240 CD2 LEU B 718 28.747 14.723 13.856 1.00 1.00 C ATOM 0 H LEU B 718 29.773 15.383 10.153 1.00 1.00 H new ATOM 0 HA LEU B 718 28.829 16.869 12.354 1.00 1.00 H new ATOM 0 HB2 LEU B 718 31.446 15.398 11.794 1.00 1.00 H new ATOM 0 HB3 LEU B 718 31.042 16.065 13.364 1.00 1.00 H new ATOM 0 HG LEU B 718 29.236 14.120 11.857 1.00 1.00 H new ATOM 0 HD11 LEU B 718 30.118 12.409 13.441 1.00 1.00 H new ATOM 0 HD12 LEU B 718 31.420 13.072 12.425 1.00 1.00 H new ATOM 0 HD13 LEU B 718 31.242 13.615 14.111 1.00 1.00 H new ATOM 0 HD21 LEU B 718 28.161 13.827 14.062 1.00 1.00 H new ATOM 0 HD22 LEU B 718 29.266 15.034 14.763 1.00 1.00 H new ATOM 0 HD23 LEU B 718 28.084 15.522 13.526 1.00 1.00 H new ATOM 1252 N ILE B 719 31.433 18.167 10.771 1.00 1.00 N ATOM 1253 CA ILE B 719 32.188 19.419 10.628 1.00 1.00 C ATOM 1254 C ILE B 719 31.262 20.569 10.187 1.00 1.00 C ATOM 1255 O ILE B 719 31.377 21.734 10.636 1.00 1.00 O ATOM 1256 CB ILE B 719 33.324 19.248 9.625 1.00 1.00 C ATOM 1257 CG1 ILE B 719 34.358 18.272 10.200 1.00 1.00 C ATOM 1258 CG2 ILE B 719 33.980 20.605 9.368 1.00 1.00 C ATOM 1259 CD1 ILE B 719 35.387 17.899 9.139 1.00 1.00 C ATOM 0 H ILE B 719 31.692 17.433 10.111 1.00 1.00 H new ATOM 0 HA ILE B 719 32.613 19.669 11.600 1.00 1.00 H new ATOM 0 HB ILE B 719 32.935 18.854 8.686 1.00 1.00 H new ATOM 0 HG12 ILE B 719 34.858 18.725 11.056 1.00 1.00 H new ATOM 0 HG13 ILE B 719 33.857 17.374 10.561 1.00 1.00 H new ATOM 0 HG21 ILE B 719 34.793 20.486 8.651 1.00 1.00 H new ATOM 0 HG22 ILE B 719 33.240 21.297 8.966 1.00 1.00 H new ATOM 0 HG23 ILE B 719 34.376 21.001 10.303 1.00 1.00 H new ATOM 0 HD11 ILE B 719 36.113 17.206 9.564 1.00 1.00 H new ATOM 0 HD12 ILE B 719 34.885 17.426 8.295 1.00 1.00 H new ATOM 0 HD13 ILE B 719 35.900 18.798 8.798 1.00 1.00 H new ATOM 1271 N THR B 720 30.365 20.242 9.243 1.00 1.00 N ATOM 1272 CA THR B 720 29.454 21.286 8.692 1.00 1.00 C ATOM 1273 C THR B 720 28.567 21.894 9.777 1.00 1.00 C ATOM 1274 O THR B 720 28.398 23.115 9.841 1.00 1.00 O ATOM 1275 CB THR B 720 28.551 20.691 7.619 1.00 1.00 C ATOM 1276 OG1 THR B 720 29.347 20.039 6.630 1.00 1.00 O ATOM 1277 CG2 THR B 720 27.719 21.794 6.954 1.00 1.00 C ATOM 0 H THR B 720 30.244 19.308 8.852 1.00 1.00 H new ATOM 0 HA THR B 720 30.087 22.066 8.269 1.00 1.00 H new ATOM 0 HB THR B 720 27.880 19.970 8.085 1.00 1.00 H new ATOM 0 HG1 THR B 720 29.670 19.183 6.982 1.00 1.00 H new ATOM 0 HG21 THR B 720 27.078 21.355 6.189 1.00 1.00 H new ATOM 0 HG22 THR B 720 27.102 22.287 7.705 1.00 1.00 H new ATOM 0 HG23 THR B 720 28.385 22.525 6.494 1.00 1.00 H new ATOM 1285 N ILE B 721 27.991 21.058 10.634 1.00 1.00 N ATOM 1286 CA ILE B 721 27.130 21.599 11.686 1.00 1.00 C ATOM 1287 C ILE B 721 27.930 22.489 12.653 1.00 1.00 C ATOM 1288 O ILE B 721 27.458 23.558 13.067 1.00 1.00 O ATOM 1289 CB ILE B 721 26.410 20.488 12.451 1.00 1.00 C ATOM 1290 CG1 ILE B 721 27.423 19.492 13.021 1.00 1.00 C ATOM 1291 CG2 ILE B 721 25.442 19.768 11.516 1.00 1.00 C ATOM 1292 CD1 ILE B 721 26.710 18.483 13.927 1.00 1.00 C ATOM 0 H ILE B 721 28.096 20.043 10.628 1.00 1.00 H new ATOM 0 HA ILE B 721 26.373 22.214 11.199 1.00 1.00 H new ATOM 0 HB ILE B 721 25.854 20.930 13.278 1.00 1.00 H new ATOM 0 HG12 ILE B 721 27.929 18.970 12.209 1.00 1.00 H new ATOM 0 HG13 ILE B 721 28.189 20.023 13.586 1.00 1.00 H new ATOM 0 HG21 ILE B 721 24.929 18.976 12.062 1.00 1.00 H new ATOM 0 HG22 ILE B 721 24.709 20.478 11.134 1.00 1.00 H new ATOM 0 HG23 ILE B 721 25.995 19.334 10.683 1.00 1.00 H new ATOM 0 HD11 ILE B 721 27.437 17.778 14.329 1.00 1.00 H new ATOM 0 HD12 ILE B 721 26.224 19.011 14.748 1.00 1.00 H new ATOM 0 HD13 ILE B 721 25.960 17.942 13.350 1.00 1.00 H new ATOM 1304 N HIS B 722 29.137 22.051 13.032 1.00 1.00 N ATOM 1305 CA HIS B 722 29.940 22.858 13.967 1.00 1.00 C ATOM 1306 C HIS B 722 30.386 24.177 13.317 1.00 1.00 C ATOM 1307 O HIS B 722 30.414 25.225 13.972 1.00 1.00 O ATOM 1308 CB HIS B 722 31.159 22.074 14.472 1.00 1.00 C ATOM 1309 CG HIS B 722 30.717 21.016 15.448 1.00 1.00 C ATOM 1310 ND1 HIS B 722 30.170 19.813 15.038 1.00 1.00 N ATOM 1311 CD2 HIS B 722 30.760 20.960 16.817 1.00 1.00 C ATOM 1312 CE1 HIS B 722 29.910 19.089 16.145 1.00 1.00 C ATOM 1313 NE2 HIS B 722 30.251 19.743 17.256 1.00 1.00 N ATOM 0 H HIS B 722 29.568 21.180 12.723 1.00 1.00 H new ATOM 0 HA HIS B 722 29.307 23.093 14.822 1.00 1.00 H new ATOM 0 HB2 HIS B 722 31.679 21.613 13.633 1.00 1.00 H new ATOM 0 HB3 HIS B 722 31.865 22.752 14.951 1.00 1.00 H new ATOM 0 HD1 HIS B 722 29.995 19.527 14.075 1.00 1.00 H new ATOM 0 HD2 HIS B 722 31.134 21.744 17.459 1.00 1.00 H new ATOM 0 HE1 HIS B 722 29.478 18.099 16.134 1.00 1.00 H new ATOM 1321 N ASP B 723 30.733 24.132 12.032 1.00 1.00 N ATOM 1322 CA ASP B 723 31.164 25.349 11.328 1.00 1.00 C ATOM 1323 C ASP B 723 30.010 26.352 11.202 1.00 1.00 C ATOM 1324 O ASP B 723 30.209 27.566 11.302 1.00 1.00 O ATOM 1325 CB ASP B 723 31.685 24.992 9.928 1.00 1.00 C ATOM 1326 CG ASP B 723 33.159 24.581 9.987 1.00 1.00 C ATOM 1327 OD1 ASP B 723 33.746 24.669 11.052 1.00 1.00 O ATOM 1328 OD2 ASP B 723 33.676 24.167 8.963 1.00 1.00 O ATOM 0 H ASP B 723 30.727 23.286 11.462 1.00 1.00 H new ATOM 0 HA ASP B 723 31.963 25.808 11.910 1.00 1.00 H new ATOM 0 HB2 ASP B 723 31.092 24.178 9.511 1.00 1.00 H new ATOM 0 HB3 ASP B 723 31.567 25.847 9.262 1.00 1.00 H new