USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=6 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 86:sc= 1.27 USER MOD Single : A 987 MET CE :methyl 161:sc= -1.59 (180deg=-2.56) 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 70:sc= 1.21 USER MOD Single : B 701 MET CE :methyl 156:sc= -0.0759 (180deg=-0.782) USER MOD Single : B 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 720 THR OG1 : rot 97:sc= 1.23 USER MOD Single : B 722 HIS : no HE2:sc= 0.58 K(o=0.58,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 31.507 -19.087 -0.938 1.00 1.00 N ATOM 137 CA ILE A 966 31.530 -18.009 0.048 1.00 1.00 C ATOM 138 C ILE A 966 32.857 -17.260 0.014 1.00 1.00 C ATOM 139 O ILE A 966 32.936 -16.100 0.418 1.00 1.00 O ATOM 140 CB ILE A 966 31.304 -18.580 1.448 1.00 1.00 C ATOM 141 CG1 ILE A 966 31.088 -17.433 2.440 1.00 1.00 C ATOM 142 CG2 ILE A 966 32.526 -19.394 1.872 1.00 1.00 C ATOM 143 CD1 ILE A 966 30.587 -17.998 3.769 1.00 1.00 C ATOM 0 HA ILE A 966 30.732 -17.309 -0.199 1.00 1.00 H new ATOM 0 HB ILE A 966 30.424 -19.223 1.438 1.00 1.00 H new ATOM 0 HG12 ILE A 966 32.020 -16.889 2.592 1.00 1.00 H new ATOM 0 HG13 ILE A 966 30.366 -16.722 2.039 1.00 1.00 H new ATOM 0 HG21 ILE A 966 32.364 -19.801 2.870 1.00 1.00 H new ATOM 0 HG22 ILE A 966 32.681 -20.212 1.168 1.00 1.00 H new ATOM 0 HG23 ILE A 966 33.406 -18.751 1.881 1.00 1.00 H new ATOM 0 HD11 ILE A 966 30.433 -17.183 4.476 1.00 1.00 H new ATOM 0 HD12 ILE A 966 29.645 -18.523 3.609 1.00 1.00 H new ATOM 0 HD13 ILE A 966 31.325 -18.692 4.171 1.00 1.00 H new ATOM 155 N TRP A 967 33.903 -17.940 -0.437 1.00 1.00 N ATOM 156 CA TRP A 967 35.230 -17.338 -0.485 1.00 1.00 C ATOM 157 C TRP A 967 35.237 -16.058 -1.320 1.00 1.00 C ATOM 158 O TRP A 967 35.902 -15.088 -0.958 1.00 1.00 O ATOM 159 CB TRP A 967 36.229 -18.335 -1.074 1.00 1.00 C ATOM 160 CG TRP A 967 36.429 -19.465 -0.117 1.00 1.00 C ATOM 161 CD1 TRP A 967 35.894 -20.700 -0.250 1.00 1.00 C ATOM 162 CD2 TRP A 967 37.209 -19.488 1.114 1.00 1.00 C ATOM 163 NE1 TRP A 967 36.294 -21.478 0.821 1.00 1.00 N ATOM 164 CE2 TRP A 967 37.107 -20.777 1.689 1.00 1.00 C ATOM 165 CE3 TRP A 967 37.987 -18.524 1.779 1.00 1.00 C ATOM 166 CZ2 TRP A 967 37.754 -21.098 2.883 1.00 1.00 C ATOM 167 CZ3 TRP A 967 38.640 -18.844 2.981 1.00 1.00 C ATOM 168 CH2 TRP A 967 38.523 -20.129 3.532 1.00 1.00 C ATOM 0 H TRP A 967 33.860 -18.902 -0.773 1.00 1.00 H new ATOM 0 HA TRP A 967 35.516 -17.080 0.535 1.00 1.00 H new ATOM 0 HB2 TRP A 967 35.862 -18.713 -2.028 1.00 1.00 H new ATOM 0 HB3 TRP A 967 37.180 -17.840 -1.272 1.00 1.00 H new ATOM 0 HD1 TRP A 967 35.258 -21.025 -1.060 1.00 1.00 H new ATOM 0 HE1 TRP A 967 36.021 -22.452 0.954 1.00 1.00 H new ATOM 0 HE3 TRP A 967 38.083 -17.532 1.363 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 37.661 -22.089 3.302 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 39.236 -18.096 3.484 1.00 1.00 H new ATOM 0 HH2 TRP A 967 39.027 -20.369 4.457 1.00 1.00 H new ATOM 179 N TRP A 968 34.501 -16.044 -2.429 1.00 1.00 N ATOM 180 CA TRP A 968 34.464 -14.848 -3.270 1.00 1.00 C ATOM 181 C TRP A 968 33.892 -13.664 -2.499 1.00 1.00 C ATOM 182 O TRP A 968 34.405 -12.548 -2.591 1.00 1.00 O ATOM 183 CB TRP A 968 33.632 -15.099 -4.529 1.00 1.00 C ATOM 184 CG TRP A 968 34.405 -15.968 -5.468 1.00 1.00 C ATOM 185 CD1 TRP A 968 34.209 -17.293 -5.638 1.00 1.00 C ATOM 186 CD2 TRP A 968 35.489 -15.597 -6.369 1.00 1.00 C ATOM 187 NE1 TRP A 968 35.104 -17.762 -6.582 1.00 1.00 N ATOM 188 CE2 TRP A 968 35.914 -16.753 -7.063 1.00 1.00 C ATOM 189 CE3 TRP A 968 36.138 -14.380 -6.648 1.00 1.00 C ATOM 190 CZ2 TRP A 968 36.946 -16.706 -8.002 1.00 1.00 C ATOM 191 CZ3 TRP A 968 37.176 -14.328 -7.592 1.00 1.00 C ATOM 192 CH2 TRP A 968 37.579 -15.488 -8.267 1.00 1.00 C ATOM 0 H TRP A 968 33.935 -16.825 -2.761 1.00 1.00 H new ATOM 0 HA TRP A 968 35.487 -14.613 -3.565 1.00 1.00 H new ATOM 0 HB2 TRP A 968 32.689 -15.578 -4.266 1.00 1.00 H new ATOM 0 HB3 TRP A 968 33.386 -14.153 -5.011 1.00 1.00 H new ATOM 0 HD1 TRP A 968 33.473 -17.890 -5.121 1.00 1.00 H new ATOM 0 HE1 TRP A 968 35.159 -18.734 -6.886 1.00 1.00 H new ATOM 0 HE3 TRP A 968 35.836 -13.480 -6.133 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 37.253 -17.603 -8.519 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 37.667 -13.388 -7.799 1.00 1.00 H new ATOM 0 HH2 TRP A 968 38.378 -15.441 -8.992 1.00 1.00 H new ATOM 203 N VAL A 969 32.840 -13.911 -1.725 1.00 1.00 N ATOM 204 CA VAL A 969 32.228 -12.852 -0.932 1.00 1.00 C ATOM 205 C VAL A 969 33.213 -12.345 0.114 1.00 1.00 C ATOM 206 O VAL A 969 33.359 -11.141 0.317 1.00 1.00 O ATOM 207 CB VAL A 969 30.961 -13.364 -0.248 1.00 1.00 C ATOM 208 CG1 VAL A 969 30.479 -12.330 0.771 1.00 1.00 C ATOM 209 CG2 VAL A 969 29.871 -13.577 -1.300 1.00 1.00 C ATOM 0 H VAL A 969 32.398 -14.825 -1.630 1.00 1.00 H new ATOM 0 HA VAL A 969 31.961 -12.031 -1.597 1.00 1.00 H new ATOM 0 HB VAL A 969 31.175 -14.305 0.258 1.00 1.00 H new ATOM 0 HG11 VAL A 969 29.575 -12.694 1.259 1.00 1.00 H new ATOM 0 HG12 VAL A 969 31.255 -12.167 1.519 1.00 1.00 H new ATOM 0 HG13 VAL A 969 30.263 -11.391 0.262 1.00 1.00 H new ATOM 0 HG21 VAL A 969 28.965 -13.942 -0.816 1.00 1.00 H new ATOM 0 HG22 VAL A 969 29.659 -12.632 -1.801 1.00 1.00 H new ATOM 0 HG23 VAL A 969 30.211 -14.308 -2.033 1.00 1.00 H new ATOM 219 N LEU A 970 33.889 -13.280 0.773 1.00 1.00 N ATOM 220 CA LEU A 970 34.864 -12.928 1.799 1.00 1.00 C ATOM 221 C LEU A 970 36.004 -12.118 1.188 1.00 1.00 C ATOM 222 O LEU A 970 36.465 -11.138 1.771 1.00 1.00 O ATOM 223 CB LEU A 970 35.420 -14.201 2.451 1.00 1.00 C ATOM 224 CG LEU A 970 36.463 -13.848 3.522 1.00 1.00 C ATOM 225 CD1 LEU A 970 35.842 -12.931 4.578 1.00 1.00 C ATOM 226 CD2 LEU A 970 36.946 -15.133 4.198 1.00 1.00 C ATOM 0 H LEU A 970 33.781 -14.282 0.616 1.00 1.00 H new ATOM 0 HA LEU A 970 34.370 -12.323 2.559 1.00 1.00 H new ATOM 0 HB2 LEU A 970 34.607 -14.771 2.901 1.00 1.00 H new ATOM 0 HB3 LEU A 970 35.872 -14.838 1.691 1.00 1.00 H new ATOM 0 HG LEU A 970 37.301 -13.336 3.049 1.00 1.00 H new ATOM 0 HD11 LEU A 970 36.590 -12.687 5.333 1.00 1.00 H new ATOM 0 HD12 LEU A 970 35.492 -12.014 4.103 1.00 1.00 H new ATOM 0 HD13 LEU A 970 35.001 -13.438 5.051 1.00 1.00 H new ATOM 0 HD21 LEU A 970 37.687 -14.887 4.959 1.00 1.00 H new ATOM 0 HD22 LEU A 970 36.100 -15.639 4.664 1.00 1.00 H new ATOM 0 HD23 LEU A 970 37.395 -15.789 3.453 1.00 1.00 H new ATOM 238 N VAL A 971 36.455 -12.537 0.009 1.00 1.00 N ATOM 239 CA VAL A 971 37.542 -11.842 -0.669 1.00 1.00 C ATOM 240 C VAL A 971 37.137 -10.408 -0.992 1.00 1.00 C ATOM 241 O VAL A 971 37.903 -9.471 -0.768 1.00 1.00 O ATOM 242 CB VAL A 971 37.909 -12.574 -1.960 1.00 1.00 C ATOM 243 CG1 VAL A 971 38.896 -11.727 -2.764 1.00 1.00 C ATOM 244 CG2 VAL A 971 38.552 -13.920 -1.618 1.00 1.00 C ATOM 0 H VAL A 971 36.088 -13.346 -0.492 1.00 1.00 H new ATOM 0 HA VAL A 971 38.407 -11.825 -0.006 1.00 1.00 H new ATOM 0 HB VAL A 971 37.009 -12.741 -2.551 1.00 1.00 H new ATOM 0 HG11 VAL A 971 39.158 -12.249 -3.684 1.00 1.00 H new ATOM 0 HG12 VAL A 971 38.438 -10.768 -3.008 1.00 1.00 H new ATOM 0 HG13 VAL A 971 39.797 -11.559 -2.173 1.00 1.00 H new ATOM 0 HG21 VAL A 971 38.814 -14.442 -2.538 1.00 1.00 H new ATOM 0 HG22 VAL A 971 39.452 -13.753 -1.027 1.00 1.00 H new ATOM 0 HG23 VAL A 971 37.848 -14.524 -1.045 1.00 1.00 H new ATOM 254 N GLY A 972 35.925 -10.242 -1.513 1.00 1.00 N ATOM 255 CA GLY A 972 35.432 -8.913 -1.854 1.00 1.00 C ATOM 256 C GLY A 972 35.323 -8.046 -0.606 1.00 1.00 C ATOM 257 O GLY A 972 35.649 -6.859 -0.631 1.00 1.00 O ATOM 0 H GLY A 972 35.273 -11.002 -1.706 1.00 1.00 H new ATOM 0 HA2 GLY A 972 36.104 -8.443 -2.572 1.00 1.00 H new ATOM 0 HA3 GLY A 972 34.457 -8.993 -2.334 1.00 1.00 H new ATOM 261 N VAL A 973 34.873 -8.648 0.489 1.00 1.00 N ATOM 262 CA VAL A 973 34.736 -7.922 1.745 1.00 1.00 C ATOM 263 C VAL A 973 36.099 -7.444 2.235 1.00 1.00 C ATOM 264 O VAL A 973 36.249 -6.299 2.662 1.00 1.00 O ATOM 265 CB VAL A 973 34.091 -8.820 2.804 1.00 1.00 C ATOM 266 CG1 VAL A 973 34.185 -8.146 4.173 1.00 1.00 C ATOM 267 CG2 VAL A 973 32.617 -9.042 2.454 1.00 1.00 C ATOM 0 H VAL A 973 34.599 -9.629 0.533 1.00 1.00 H new ATOM 0 HA VAL A 973 34.099 -7.054 1.575 1.00 1.00 H new ATOM 0 HB VAL A 973 34.612 -9.777 2.831 1.00 1.00 H new ATOM 0 HG11 VAL A 973 33.725 -8.786 4.926 1.00 1.00 H new ATOM 0 HG12 VAL A 973 35.232 -7.982 4.427 1.00 1.00 H new ATOM 0 HG13 VAL A 973 33.664 -7.189 4.144 1.00 1.00 H new ATOM 0 HG21 VAL A 973 32.156 -9.681 3.207 1.00 1.00 H new ATOM 0 HG22 VAL A 973 32.101 -8.082 2.428 1.00 1.00 H new ATOM 0 HG23 VAL A 973 32.543 -9.521 1.478 1.00 1.00 H new ATOM 277 N LEU A 974 37.091 -8.327 2.172 1.00 1.00 N ATOM 278 CA LEU A 974 38.436 -7.978 2.611 1.00 1.00 C ATOM 279 C LEU A 974 38.993 -6.843 1.758 1.00 1.00 C ATOM 280 O LEU A 974 39.588 -5.901 2.277 1.00 1.00 O ATOM 281 CB LEU A 974 39.349 -9.209 2.511 1.00 1.00 C ATOM 282 CG LEU A 974 40.778 -8.857 2.946 1.00 1.00 C ATOM 283 CD1 LEU A 974 40.774 -8.303 4.373 1.00 1.00 C ATOM 284 CD2 LEU A 974 41.641 -10.120 2.897 1.00 1.00 C ATOM 0 H LEU A 974 36.990 -9.281 1.824 1.00 1.00 H new ATOM 0 HA LEU A 974 38.395 -7.645 3.648 1.00 1.00 H new ATOM 0 HB2 LEU A 974 38.959 -10.010 3.139 1.00 1.00 H new ATOM 0 HB3 LEU A 974 39.356 -9.581 1.487 1.00 1.00 H new ATOM 0 HG LEU A 974 41.182 -8.101 2.273 1.00 1.00 H new ATOM 0 HD11 LEU A 974 41.793 -8.057 4.671 1.00 1.00 H new ATOM 0 HD12 LEU A 974 40.157 -7.405 4.413 1.00 1.00 H new ATOM 0 HD13 LEU A 974 40.368 -9.052 5.053 1.00 1.00 H new ATOM 0 HD21 LEU A 974 42.658 -9.878 3.205 1.00 1.00 H new ATOM 0 HD22 LEU A 974 41.227 -10.870 3.571 1.00 1.00 H new ATOM 0 HD23 LEU A 974 41.653 -10.513 1.880 1.00 1.00 H new ATOM 296 N GLY A 975 38.783 -6.932 0.448 1.00 1.00 N ATOM 297 CA GLY A 975 39.260 -5.897 -0.465 1.00 1.00 C ATOM 298 C GLY A 975 38.561 -4.572 -0.181 1.00 1.00 C ATOM 299 O GLY A 975 39.153 -3.499 -0.311 1.00 1.00 O ATOM 0 H GLY A 975 38.290 -7.703 -0.003 1.00 1.00 H new ATOM 0 HA2 GLY A 975 40.338 -5.777 -0.357 1.00 1.00 H new ATOM 0 HA3 GLY A 975 39.075 -6.199 -1.496 1.00 1.00 H new ATOM 303 N GLY A 976 37.295 -4.662 0.204 1.00 1.00 N ATOM 304 CA GLY A 976 36.504 -3.477 0.508 1.00 1.00 C ATOM 305 C GLY A 976 37.088 -2.716 1.695 1.00 1.00 C ATOM 306 O GLY A 976 37.023 -1.489 1.750 1.00 1.00 O ATOM 0 H GLY A 976 36.794 -5.544 0.313 1.00 1.00 H new ATOM 0 HA2 GLY A 976 36.470 -2.825 -0.365 1.00 1.00 H new ATOM 0 HA3 GLY A 976 35.477 -3.768 0.728 1.00 1.00 H new ATOM 310 N LEU A 977 37.656 -3.455 2.644 1.00 1.00 N ATOM 311 CA LEU A 977 38.248 -2.837 3.828 1.00 1.00 C ATOM 312 C LEU A 977 39.400 -1.923 3.416 1.00 1.00 C ATOM 313 O LEU A 977 39.544 -0.814 3.932 1.00 1.00 O ATOM 314 CB LEU A 977 38.758 -3.927 4.780 1.00 1.00 C ATOM 315 CG LEU A 977 39.405 -3.297 6.022 1.00 1.00 C ATOM 316 CD1 LEU A 977 38.401 -2.387 6.733 1.00 1.00 C ATOM 317 CD2 LEU A 977 39.840 -4.408 6.981 1.00 1.00 C ATOM 0 H LEU A 977 37.719 -4.473 2.618 1.00 1.00 H new ATOM 0 HA LEU A 977 37.491 -2.243 4.339 1.00 1.00 H new ATOM 0 HB2 LEU A 977 37.932 -4.571 5.080 1.00 1.00 H new ATOM 0 HB3 LEU A 977 39.483 -4.557 4.265 1.00 1.00 H new ATOM 0 HG LEU A 977 40.269 -2.708 5.715 1.00 1.00 H new ATOM 0 HD11 LEU A 977 38.870 -1.945 7.612 1.00 1.00 H new ATOM 0 HD12 LEU A 977 38.084 -1.595 6.054 1.00 1.00 H new ATOM 0 HD13 LEU A 977 37.534 -2.972 7.039 1.00 1.00 H new ATOM 0 HD21 LEU A 977 40.300 -3.966 7.865 1.00 1.00 H new ATOM 0 HD22 LEU A 977 38.970 -4.993 7.279 1.00 1.00 H new ATOM 0 HD23 LEU A 977 40.560 -5.057 6.483 1.00 1.00 H new ATOM 329 N LEU A 978 40.208 -2.393 2.474 1.00 1.00 N ATOM 330 CA LEU A 978 41.336 -1.610 1.983 1.00 1.00 C ATOM 331 C LEU A 978 40.842 -0.327 1.327 1.00 1.00 C ATOM 332 O LEU A 978 41.437 0.735 1.495 1.00 1.00 O ATOM 333 CB LEU A 978 42.152 -2.425 0.976 1.00 1.00 C ATOM 334 CG LEU A 978 43.130 -3.351 1.714 1.00 1.00 C ATOM 335 CD1 LEU A 978 44.248 -2.533 2.372 1.00 1.00 C ATOM 336 CD2 LEU A 978 42.380 -4.139 2.793 1.00 1.00 C ATOM 0 H LEU A 978 40.105 -3.308 2.036 1.00 1.00 H new ATOM 0 HA LEU A 978 41.973 -1.354 2.830 1.00 1.00 H new ATOM 0 HB2 LEU A 978 41.484 -3.015 0.348 1.00 1.00 H new ATOM 0 HB3 LEU A 978 42.702 -1.755 0.315 1.00 1.00 H new ATOM 0 HG LEU A 978 43.570 -4.039 0.992 1.00 1.00 H new ATOM 0 HD11 LEU A 978 44.933 -3.204 2.891 1.00 1.00 H new ATOM 0 HD12 LEU A 978 44.792 -1.980 1.607 1.00 1.00 H new ATOM 0 HD13 LEU A 978 43.815 -1.833 3.087 1.00 1.00 H new ATOM 0 HD21 LEU A 978 43.077 -4.795 3.315 1.00 1.00 H new ATOM 0 HD22 LEU A 978 41.932 -3.446 3.505 1.00 1.00 H new ATOM 0 HD23 LEU A 978 41.597 -4.738 2.328 1.00 1.00 H new ATOM 348 N LEU A 979 39.750 -0.431 0.580 1.00 1.00 N ATOM 349 CA LEU A 979 39.190 0.731 -0.101 1.00 1.00 C ATOM 350 C LEU A 979 38.779 1.807 0.900 1.00 1.00 C ATOM 351 O LEU A 979 39.072 2.987 0.702 1.00 1.00 O ATOM 352 CB LEU A 979 37.975 0.285 -0.927 1.00 1.00 C ATOM 353 CG LEU A 979 37.265 1.496 -1.550 1.00 1.00 C ATOM 354 CD1 LEU A 979 38.249 2.305 -2.390 1.00 1.00 C ATOM 355 CD2 LEU A 979 36.117 1.013 -2.444 1.00 1.00 C ATOM 0 H LEU A 979 39.238 -1.300 0.431 1.00 1.00 H new ATOM 0 HA LEU A 979 39.948 1.159 -0.756 1.00 1.00 H new ATOM 0 HB2 LEU A 979 38.295 -0.399 -1.713 1.00 1.00 H new ATOM 0 HB3 LEU A 979 37.279 -0.263 -0.292 1.00 1.00 H new ATOM 0 HG LEU A 979 36.872 2.125 -0.751 1.00 1.00 H new ATOM 0 HD11 LEU A 979 37.736 3.161 -2.827 1.00 1.00 H new ATOM 0 HD12 LEU A 979 39.065 2.655 -1.758 1.00 1.00 H new ATOM 0 HD13 LEU A 979 38.650 1.677 -3.186 1.00 1.00 H new ATOM 0 HD21 LEU A 979 35.613 1.873 -2.886 1.00 1.00 H new ATOM 0 HD22 LEU A 979 36.515 0.379 -3.236 1.00 1.00 H new ATOM 0 HD23 LEU A 979 35.405 0.443 -1.846 1.00 1.00 H new ATOM 367 N LEU A 980 38.121 1.405 1.977 1.00 1.00 N ATOM 368 CA LEU A 980 37.705 2.361 2.994 1.00 1.00 C ATOM 369 C LEU A 980 38.930 3.005 3.643 1.00 1.00 C ATOM 370 O LEU A 980 38.953 4.208 3.901 1.00 1.00 O ATOM 371 CB LEU A 980 36.851 1.658 4.057 1.00 1.00 C ATOM 372 CG LEU A 980 36.368 2.666 5.108 1.00 1.00 C ATOM 373 CD1 LEU A 980 35.517 3.750 4.439 1.00 1.00 C ATOM 374 CD2 LEU A 980 35.521 1.936 6.153 1.00 1.00 C ATOM 0 H LEU A 980 37.866 0.436 2.169 1.00 1.00 H new ATOM 0 HA LEU A 980 37.108 3.141 2.522 1.00 1.00 H new ATOM 0 HB2 LEU A 980 35.994 1.177 3.585 1.00 1.00 H new ATOM 0 HB3 LEU A 980 37.433 0.872 4.538 1.00 1.00 H new ATOM 0 HG LEU A 980 37.231 3.130 5.585 1.00 1.00 H new ATOM 0 HD11 LEU A 980 35.178 4.462 5.191 1.00 1.00 H new ATOM 0 HD12 LEU A 980 36.114 4.270 3.690 1.00 1.00 H new ATOM 0 HD13 LEU A 980 34.653 3.290 3.959 1.00 1.00 H new ATOM 0 HD21 LEU A 980 35.175 2.648 6.903 1.00 1.00 H new ATOM 0 HD22 LEU A 980 34.662 1.474 5.667 1.00 1.00 H new ATOM 0 HD23 LEU A 980 36.122 1.165 6.635 1.00 1.00 H new ATOM 386 N THR A 981 39.938 2.178 3.919 1.00 1.00 N ATOM 387 CA THR A 981 41.166 2.642 4.562 1.00 1.00 C ATOM 388 C THR A 981 41.911 3.662 3.697 1.00 1.00 C ATOM 389 O THR A 981 42.370 4.687 4.199 1.00 1.00 O ATOM 390 CB THR A 981 42.083 1.447 4.839 1.00 1.00 C ATOM 391 OG1 THR A 981 41.339 0.424 5.485 1.00 1.00 O ATOM 392 CG2 THR A 981 43.239 1.885 5.744 1.00 1.00 C ATOM 0 H THR A 981 39.928 1.180 3.706 1.00 1.00 H new ATOM 0 HA THR A 981 40.888 3.131 5.496 1.00 1.00 H new ATOM 0 HB THR A 981 42.484 1.070 3.898 1.00 1.00 H new ATOM 0 HG1 THR A 981 40.889 -0.128 4.812 1.00 1.00 H new ATOM 0 HG21 THR A 981 43.890 1.033 5.940 1.00 1.00 H new ATOM 0 HG22 THR A 981 43.809 2.672 5.251 1.00 1.00 H new ATOM 0 HG23 THR A 981 42.841 2.262 6.686 1.00 1.00 H new ATOM 400 N ILE A 982 42.038 3.379 2.402 1.00 1.00 N ATOM 401 CA ILE A 982 42.749 4.290 1.505 1.00 1.00 C ATOM 402 C ILE A 982 42.041 5.638 1.417 1.00 1.00 C ATOM 403 O ILE A 982 42.689 6.685 1.460 1.00 1.00 O ATOM 404 CB ILE A 982 42.860 3.679 0.102 1.00 1.00 C ATOM 405 CG1 ILE A 982 43.802 2.456 0.124 1.00 1.00 C ATOM 406 CG2 ILE A 982 43.376 4.727 -0.889 1.00 1.00 C ATOM 407 CD1 ILE A 982 45.226 2.847 0.554 1.00 1.00 C ATOM 0 H ILE A 982 41.665 2.541 1.955 1.00 1.00 H new ATOM 0 HA ILE A 982 43.748 4.446 1.913 1.00 1.00 H new ATOM 0 HB ILE A 982 41.871 3.351 -0.217 1.00 1.00 H new ATOM 0 HG12 ILE A 982 43.408 1.705 0.808 1.00 1.00 H new ATOM 0 HG13 ILE A 982 43.832 2.001 -0.866 1.00 1.00 H new ATOM 0 HG21 ILE A 982 43.451 4.283 -1.882 1.00 1.00 H new ATOM 0 HG22 ILE A 982 42.685 5.570 -0.920 1.00 1.00 H new ATOM 0 HG23 ILE A 982 44.359 5.075 -0.572 1.00 1.00 H new ATOM 0 HD11 ILE A 982 45.861 1.961 0.558 1.00 1.00 H new ATOM 0 HD12 ILE A 982 45.629 3.579 -0.146 1.00 1.00 H new ATOM 0 HD13 ILE A 982 45.198 3.278 1.555 1.00 1.00 H new ATOM 419 N LEU A 983 40.718 5.619 1.299 1.00 1.00 N ATOM 420 CA LEU A 983 39.968 6.865 1.213 1.00 1.00 C ATOM 421 C LEU A 983 40.148 7.671 2.496 1.00 1.00 C ATOM 422 O LEU A 983 40.346 8.885 2.460 1.00 1.00 O ATOM 423 CB LEU A 983 38.482 6.568 0.998 1.00 1.00 C ATOM 424 CG LEU A 983 38.269 5.987 -0.404 1.00 1.00 C ATOM 425 CD1 LEU A 983 36.828 5.490 -0.534 1.00 1.00 C ATOM 426 CD2 LEU A 983 38.539 7.058 -1.472 1.00 1.00 C ATOM 0 H LEU A 983 40.152 4.771 1.261 1.00 1.00 H new ATOM 0 HA LEU A 983 40.344 7.444 0.369 1.00 1.00 H new ATOM 0 HB2 LEU A 983 38.129 5.864 1.751 1.00 1.00 H new ATOM 0 HB3 LEU A 983 37.898 7.481 1.117 1.00 1.00 H new ATOM 0 HG LEU A 983 38.961 5.158 -0.553 1.00 1.00 H new ATOM 0 HD11 LEU A 983 36.674 5.076 -1.531 1.00 1.00 H new ATOM 0 HD12 LEU A 983 36.641 4.718 0.212 1.00 1.00 H new ATOM 0 HD13 LEU A 983 36.141 6.321 -0.376 1.00 1.00 H new ATOM 0 HD21 LEU A 983 38.384 6.631 -2.463 1.00 1.00 H new ATOM 0 HD22 LEU A 983 37.857 7.896 -1.327 1.00 1.00 H new ATOM 0 HD23 LEU A 983 39.568 7.408 -1.385 1.00 1.00 H new ATOM 438 N VAL A 984 40.093 6.977 3.627 1.00 1.00 N ATOM 439 CA VAL A 984 40.264 7.619 4.925 1.00 1.00 C ATOM 440 C VAL A 984 41.670 8.195 5.066 1.00 1.00 C ATOM 441 O VAL A 984 41.848 9.312 5.553 1.00 1.00 O ATOM 442 CB VAL A 984 40.012 6.608 6.044 1.00 1.00 C ATOM 443 CG1 VAL A 984 40.383 7.232 7.391 1.00 1.00 C ATOM 444 CG2 VAL A 984 38.533 6.220 6.053 1.00 1.00 C ATOM 0 H VAL A 984 39.932 5.971 3.672 1.00 1.00 H new ATOM 0 HA VAL A 984 39.544 8.434 4.999 1.00 1.00 H new ATOM 0 HB VAL A 984 40.622 5.720 5.876 1.00 1.00 H new ATOM 0 HG11 VAL A 984 40.203 6.511 8.188 1.00 1.00 H new ATOM 0 HG12 VAL A 984 41.437 7.511 7.385 1.00 1.00 H new ATOM 0 HG13 VAL A 984 39.774 8.120 7.561 1.00 1.00 H new ATOM 0 HG21 VAL A 984 38.351 5.499 6.850 1.00 1.00 H new ATOM 0 HG22 VAL A 984 37.925 7.109 6.221 1.00 1.00 H new ATOM 0 HG23 VAL A 984 38.268 5.775 5.094 1.00 1.00 H new ATOM 454 N LEU A 985 42.666 7.417 4.654 1.00 1.00 N ATOM 455 CA LEU A 985 44.057 7.847 4.757 1.00 1.00 C ATOM 456 C LEU A 985 44.315 9.099 3.923 1.00 1.00 C ATOM 457 O LEU A 985 44.992 10.022 4.377 1.00 1.00 O ATOM 458 CB LEU A 985 44.979 6.713 4.286 1.00 1.00 C ATOM 459 CG LEU A 985 46.451 7.146 4.348 1.00 1.00 C ATOM 460 CD1 LEU A 985 46.811 7.592 5.766 1.00 1.00 C ATOM 461 CD2 LEU A 985 47.339 5.962 3.956 1.00 1.00 C ATOM 0 H LEU A 985 42.538 6.490 4.248 1.00 1.00 H new ATOM 0 HA LEU A 985 44.264 8.087 5.800 1.00 1.00 H new ATOM 0 HB2 LEU A 985 44.828 5.832 4.910 1.00 1.00 H new ATOM 0 HB3 LEU A 985 44.721 6.429 3.266 1.00 1.00 H new ATOM 0 HG LEU A 985 46.607 7.978 3.661 1.00 1.00 H new ATOM 0 HD11 LEU A 985 47.857 7.897 5.797 1.00 1.00 H new ATOM 0 HD12 LEU A 985 46.180 8.432 6.054 1.00 1.00 H new ATOM 0 HD13 LEU A 985 46.653 6.765 6.459 1.00 1.00 H new ATOM 0 HD21 LEU A 985 48.386 6.263 3.998 1.00 1.00 H new ATOM 0 HD22 LEU A 985 47.171 5.136 4.647 1.00 1.00 H new ATOM 0 HD23 LEU A 985 47.094 5.643 2.943 1.00 1.00 H new ATOM 473 N ALA A 986 43.783 9.134 2.707 1.00 1.00 N ATOM 474 CA ALA A 986 43.986 10.294 1.845 1.00 1.00 C ATOM 475 C ALA A 986 43.347 11.537 2.458 1.00 1.00 C ATOM 476 O ALA A 986 43.920 12.626 2.418 1.00 1.00 O ATOM 477 CB ALA A 986 43.378 10.030 0.466 1.00 1.00 C ATOM 0 H ALA A 986 43.218 8.388 2.300 1.00 1.00 H new ATOM 0 HA ALA A 986 45.058 10.466 1.743 1.00 1.00 H new ATOM 0 HB1 ALA A 986 43.533 10.900 -0.173 1.00 1.00 H new ATOM 0 HB2 ALA A 986 43.858 9.160 0.017 1.00 1.00 H new ATOM 0 HB3 ALA A 986 42.309 9.842 0.570 1.00 1.00 H new ATOM 483 N MET A 987 42.158 11.364 3.025 1.00 1.00 N ATOM 484 CA MET A 987 41.447 12.475 3.645 1.00 1.00 C ATOM 485 C MET A 987 42.208 12.988 4.871 1.00 1.00 C ATOM 486 O MET A 987 42.300 14.185 5.106 1.00 1.00 O ATOM 487 CB MET A 987 40.044 12.018 4.046 1.00 1.00 C ATOM 488 CG MET A 987 39.181 11.896 2.787 1.00 1.00 C ATOM 489 SD MET A 987 37.553 11.225 3.219 1.00 1.00 S ATOM 490 CE MET A 987 36.937 12.652 4.147 1.00 1.00 C ATOM 0 H MET A 987 41.669 10.470 3.068 1.00 1.00 H new ATOM 0 HA MET A 987 41.371 13.292 2.928 1.00 1.00 H new ATOM 0 HB2 MET A 987 40.094 11.060 4.563 1.00 1.00 H new ATOM 0 HB3 MET A 987 39.599 12.732 4.740 1.00 1.00 H new ATOM 0 HG2 MET A 987 39.068 12.873 2.316 1.00 1.00 H new ATOM 0 HG3 MET A 987 39.671 11.247 2.061 1.00 1.00 H new ATOM 0 HE1 MET A 987 35.851 12.599 4.217 1.00 1.00 H new ATOM 0 HE2 MET A 987 37.366 12.647 5.149 1.00 1.00 H new ATOM 0 HE3 MET A 987 37.223 13.570 3.634 1.00 1.00 H new ATOM 500 N TRP A 988 42.753 12.067 5.646 1.00 1.00 N ATOM 501 CA TRP A 988 43.509 12.426 6.842 1.00 1.00 C ATOM 502 C TRP A 988 44.762 13.235 6.482 1.00 1.00 C ATOM 503 O TRP A 988 45.158 14.148 7.205 1.00 1.00 O ATOM 504 CB TRP A 988 43.912 11.157 7.601 1.00 1.00 C ATOM 505 CG TRP A 988 44.897 11.487 8.683 1.00 1.00 C ATOM 506 CD1 TRP A 988 44.945 12.650 9.380 1.00 1.00 C ATOM 507 CD2 TRP A 988 45.976 10.658 9.203 1.00 1.00 C ATOM 508 NE1 TRP A 988 45.983 12.583 10.289 1.00 1.00 N ATOM 509 CE2 TRP A 988 46.650 11.377 10.218 1.00 1.00 C ATOM 510 CE3 TRP A 988 46.431 9.365 8.893 1.00 1.00 C ATOM 511 CZ2 TRP A 988 47.737 10.832 10.901 1.00 1.00 C ATOM 512 CZ3 TRP A 988 47.526 8.812 9.579 1.00 1.00 C ATOM 513 CH2 TRP A 988 48.177 9.545 10.581 1.00 1.00 C ATOM 0 H TRP A 988 42.689 11.064 5.472 1.00 1.00 H new ATOM 0 HA TRP A 988 42.873 13.045 7.475 1.00 1.00 H new ATOM 0 HB2 TRP A 988 43.028 10.689 8.035 1.00 1.00 H new ATOM 0 HB3 TRP A 988 44.349 10.435 6.910 1.00 1.00 H new ATOM 0 HD1 TRP A 988 44.280 13.491 9.246 1.00 1.00 H new ATOM 0 HE1 TRP A 988 46.227 13.334 10.935 1.00 1.00 H new ATOM 0 HE3 TRP A 988 45.936 8.792 8.123 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 48.235 11.401 11.672 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 47.868 7.817 9.333 1.00 1.00 H new ATOM 0 HH2 TRP A 988 49.018 9.115 11.105 1.00 1.00 H new ATOM 524 N LYS A 989 45.408 12.856 5.384 1.00 1.00 N ATOM 525 CA LYS A 989 46.651 13.508 4.961 1.00 1.00 C ATOM 526 C LYS A 989 46.445 14.968 4.530 1.00 1.00 C ATOM 527 O LYS A 989 47.423 15.700 4.384 1.00 1.00 O ATOM 528 CB LYS A 989 47.258 12.726 3.785 1.00 1.00 C ATOM 529 CG LYS A 989 48.640 12.126 4.144 1.00 1.00 C ATOM 530 CD LYS A 989 49.785 13.156 3.969 1.00 1.00 C ATOM 531 CE LYS A 989 50.036 13.942 5.266 1.00 1.00 C ATOM 532 NZ LYS A 989 51.354 14.631 5.172 1.00 1.00 N ATOM 0 H LYS A 989 45.096 12.104 4.770 1.00 1.00 H new ATOM 0 HA LYS A 989 47.319 13.511 5.822 1.00 1.00 H new ATOM 0 HB2 LYS A 989 46.579 11.925 3.492 1.00 1.00 H new ATOM 0 HB3 LYS A 989 47.361 13.387 2.924 1.00 1.00 H new ATOM 0 HG2 LYS A 989 48.625 11.773 5.175 1.00 1.00 H new ATOM 0 HG3 LYS A 989 48.833 11.259 3.513 1.00 1.00 H new ATOM 0 HD2 LYS A 989 50.698 12.640 3.672 1.00 1.00 H new ATOM 0 HD3 LYS A 989 49.534 13.848 3.165 1.00 1.00 H new ATOM 0 HE2 LYS A 989 49.241 14.671 5.424 1.00 1.00 H new ATOM 0 HE3 LYS A 989 50.024 13.268 6.122 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 51.530 15.165 6.047 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 52.106 13.925 5.040 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 51.347 15.285 4.363 1.00 1.00 H new ATOM 546 N VAL A 990 45.200 15.405 4.323 1.00 1.00 N ATOM 547 CA VAL A 990 44.976 16.796 3.910 1.00 1.00 C ATOM 548 C VAL A 990 44.712 17.692 5.121 1.00 1.00 C ATOM 549 O VAL A 990 44.565 18.907 4.985 1.00 1.00 O ATOM 550 CB VAL A 990 43.824 16.905 2.894 1.00 1.00 C ATOM 551 CG1 VAL A 990 44.153 16.063 1.662 1.00 1.00 C ATOM 552 CG2 VAL A 990 42.507 16.413 3.498 1.00 1.00 C ATOM 0 H VAL A 990 44.357 14.840 4.429 1.00 1.00 H new ATOM 0 HA VAL A 990 45.887 17.141 3.420 1.00 1.00 H new ATOM 0 HB VAL A 990 43.710 17.953 2.618 1.00 1.00 H new ATOM 0 HG11 VAL A 990 43.339 16.139 0.941 1.00 1.00 H new ATOM 0 HG12 VAL A 990 45.074 16.427 1.208 1.00 1.00 H new ATOM 0 HG13 VAL A 990 44.281 15.021 1.957 1.00 1.00 H new ATOM 0 HG21 VAL A 990 41.712 16.502 2.758 1.00 1.00 H new ATOM 0 HG22 VAL A 990 42.611 15.370 3.796 1.00 1.00 H new ATOM 0 HG23 VAL A 990 42.259 17.017 4.371 1.00 1.00 H new ATOM 562 N GLY A 991 44.662 17.087 6.306 1.00 1.00 N ATOM 563 CA GLY A 991 44.425 17.843 7.534 1.00 1.00 C ATOM 564 C GLY A 991 42.936 18.066 7.770 1.00 1.00 C ATOM 565 O GLY A 991 42.546 18.833 8.650 1.00 1.00 O ATOM 0 H GLY A 991 44.781 16.083 6.442 1.00 1.00 H new ATOM 0 HA2 GLY A 991 44.853 17.307 8.381 1.00 1.00 H new ATOM 0 HA3 GLY A 991 44.934 18.805 7.475 1.00 1.00 H new ATOM 569 N PHE A 992 42.110 17.389 6.985 1.00 1.00 N ATOM 570 CA PHE A 992 40.664 17.517 7.121 1.00 1.00 C ATOM 571 C PHE A 992 40.187 17.068 8.497 1.00 1.00 C ATOM 572 O PHE A 992 39.328 17.707 9.104 1.00 1.00 O ATOM 573 CB PHE A 992 39.962 16.677 6.051 1.00 1.00 C ATOM 574 CG PHE A 992 38.475 16.561 6.342 1.00 1.00 C ATOM 575 CD1 PHE A 992 37.756 17.606 6.954 1.00 1.00 C ATOM 576 CD2 PHE A 992 37.822 15.367 6.024 1.00 1.00 C ATOM 577 CE1 PHE A 992 36.397 17.444 7.237 1.00 1.00 C ATOM 578 CE2 PHE A 992 36.461 15.211 6.304 1.00 1.00 C ATOM 579 CZ PHE A 992 35.751 16.248 6.911 1.00 1.00 C ATOM 0 H PHE A 992 42.413 16.749 6.251 1.00 1.00 H new ATOM 0 HA PHE A 992 40.415 18.571 6.996 1.00 1.00 H new ATOM 0 HB2 PHE A 992 40.111 17.131 5.071 1.00 1.00 H new ATOM 0 HB3 PHE A 992 40.408 15.683 6.013 1.00 1.00 H new ATOM 0 HD1 PHE A 992 38.254 18.531 7.204 1.00 1.00 H new ATOM 0 HD2 PHE A 992 38.371 14.561 5.560 1.00 1.00 H new ATOM 0 HE1 PHE A 992 35.845 18.244 7.708 1.00 1.00 H new ATOM 0 HE2 PHE A 992 35.959 14.289 6.051 1.00 1.00 H new ATOM 0 HZ PHE A 992 34.700 16.126 7.129 1.00 1.00 H new ATOM 589 N PHE A 993 40.725 15.953 8.979 1.00 1.00 N ATOM 590 CA PHE A 993 40.306 15.434 10.275 1.00 1.00 C ATOM 591 C PHE A 993 41.128 16.037 11.403 1.00 1.00 C ATOM 592 O PHE A 993 40.870 15.768 12.576 1.00 1.00 O ATOM 593 CB PHE A 993 40.423 13.909 10.304 1.00 1.00 C ATOM 594 CG PHE A 993 39.321 13.315 9.456 1.00 1.00 C ATOM 595 CD1 PHE A 993 37.984 13.454 9.850 1.00 1.00 C ATOM 596 CD2 PHE A 993 39.633 12.631 8.274 1.00 1.00 C ATOM 597 CE1 PHE A 993 36.962 12.912 9.061 1.00 1.00 C ATOM 598 CE2 PHE A 993 38.609 12.086 7.489 1.00 1.00 C ATOM 599 CZ PHE A 993 37.276 12.228 7.882 1.00 1.00 C ATOM 0 H PHE A 993 41.438 15.401 8.503 1.00 1.00 H new ATOM 0 HA PHE A 993 39.263 15.715 10.423 1.00 1.00 H new ATOM 0 HB2 PHE A 993 41.397 13.599 9.926 1.00 1.00 H new ATOM 0 HB3 PHE A 993 40.348 13.545 11.329 1.00 1.00 H new ATOM 0 HD1 PHE A 993 37.741 13.979 10.762 1.00 1.00 H new ATOM 0 HD2 PHE A 993 40.663 12.524 7.968 1.00 1.00 H new ATOM 0 HE1 PHE A 993 35.931 13.022 9.363 1.00 1.00 H new ATOM 0 HE2 PHE A 993 38.850 11.556 6.580 1.00 1.00 H new ATOM 0 HZ PHE A 993 36.487 11.809 7.275 1.00 1.00 H new ATOM 609 N LYS A 994 42.101 16.869 11.054 1.00 1.00 N ATOM 610 CA LYS A 994 42.919 17.511 12.069 1.00 1.00 C ATOM 611 C LYS A 994 42.281 18.839 12.461 1.00 1.00 C ATOM 612 O LYS A 994 42.037 19.696 11.609 1.00 1.00 O ATOM 613 CB LYS A 994 44.332 17.749 11.527 1.00 1.00 C ATOM 614 CG LYS A 994 45.210 18.350 12.629 1.00 1.00 C ATOM 615 CD LYS A 994 46.636 18.535 12.107 1.00 1.00 C ATOM 616 CE LYS A 994 47.516 19.121 13.213 1.00 1.00 C ATOM 617 NZ LYS A 994 48.908 19.284 12.705 1.00 1.00 N ATOM 0 H LYS A 994 42.339 17.111 10.092 1.00 1.00 H new ATOM 0 HA LYS A 994 42.984 16.867 12.946 1.00 1.00 H new ATOM 0 HB2 LYS A 994 44.761 16.810 11.177 1.00 1.00 H new ATOM 0 HB3 LYS A 994 44.295 18.421 10.670 1.00 1.00 H new ATOM 0 HG2 LYS A 994 44.802 19.309 12.950 1.00 1.00 H new ATOM 0 HG3 LYS A 994 45.213 17.697 13.502 1.00 1.00 H new ATOM 0 HD2 LYS A 994 47.040 17.578 11.776 1.00 1.00 H new ATOM 0 HD3 LYS A 994 46.634 19.197 11.241 1.00 1.00 H new ATOM 0 HE2 LYS A 994 47.120 20.084 13.536 1.00 1.00 H new ATOM 0 HE3 LYS A 994 47.509 18.465 14.084 1.00 1.00 H new ATOM 0 HZ1 LYS A 994 49.507 19.682 13.456 1.00 1.00 H new ATOM 0 HZ2 LYS A 994 49.283 18.358 12.417 1.00 1.00 H new ATOM 0 HZ3 LYS A 994 48.906 19.926 11.887 1.00 1.00 H new ATOM 631 N ARG A 995 42.007 19.007 13.749 1.00 1.00 N ATOM 632 CA ARG A 995 41.396 20.230 14.235 1.00 1.00 C ATOM 633 C ARG A 995 42.022 20.604 15.565 1.00 1.00 C ATOM 634 O ARG A 995 42.364 19.727 16.359 1.00 1.00 O ATOM 635 CB ARG A 995 39.883 20.035 14.393 1.00 1.00 C ATOM 636 CG ARG A 995 39.233 21.353 14.819 1.00 1.00 C ATOM 637 CD ARG A 995 37.737 21.132 15.034 1.00 1.00 C ATOM 638 NE ARG A 995 37.101 20.805 13.765 1.00 1.00 N ATOM 639 CZ ARG A 995 36.720 21.761 12.924 1.00 1.00 C ATOM 640 NH1 ARG A 995 36.871 23.016 13.249 1.00 1.00 N ATOM 641 NH2 ARG A 995 36.190 21.443 11.776 1.00 1.00 N ATOM 0 H ARG A 995 42.199 18.312 14.471 1.00 1.00 H new ATOM 0 HA ARG A 995 41.566 21.034 13.519 1.00 1.00 H new ATOM 0 HB2 ARG A 995 39.451 19.693 13.453 1.00 1.00 H new ATOM 0 HB3 ARG A 995 39.682 19.263 15.136 1.00 1.00 H new ATOM 0 HG2 ARG A 995 39.694 21.719 15.737 1.00 1.00 H new ATOM 0 HG3 ARG A 995 39.394 22.114 14.056 1.00 1.00 H new ATOM 0 HD2 ARG A 995 37.578 20.325 15.750 1.00 1.00 H new ATOM 0 HD3 ARG A 995 37.285 22.028 15.458 1.00 1.00 H new ATOM 0 HE ARG A 995 36.946 19.828 13.518 1.00 1.00 H new ATOM 0 HH11 ARG A 995 37.282 23.264 14.149 1.00 1.00 H new ATOM 0 HH12 ARG A 995 36.578 23.749 12.603 1.00 1.00 H new ATOM 0 HH21 ARG A 995 36.068 20.462 11.525 1.00 1.00 H new ATOM 0 HH22 ARG A 995 35.897 22.175 11.129 1.00 1.00 H new ATOM 808 N ASP B 692 26.672 -15.297 -12.504 1.00 1.00 N ATOM 809 CA ASP B 692 28.123 -15.257 -12.593 1.00 1.00 C ATOM 810 C ASP B 692 28.722 -14.803 -11.269 1.00 1.00 C ATOM 811 O ASP B 692 28.196 -13.902 -10.616 1.00 1.00 O ATOM 812 CB ASP B 692 28.555 -14.295 -13.703 1.00 1.00 C ATOM 813 CG ASP B 692 28.435 -14.962 -15.073 1.00 1.00 C ATOM 814 OD1 ASP B 692 28.146 -16.147 -15.116 1.00 1.00 O ATOM 815 OD2 ASP B 692 28.632 -14.274 -16.061 1.00 1.00 O ATOM 0 HA ASP B 692 28.482 -16.260 -12.823 1.00 1.00 H new ATOM 0 HB2 ASP B 692 27.937 -13.398 -13.674 1.00 1.00 H new ATOM 0 HB3 ASP B 692 29.585 -13.978 -13.536 1.00 1.00 H new ATOM 820 N ILE B 693 29.832 -15.421 -10.894 1.00 1.00 N ATOM 821 CA ILE B 693 30.512 -15.072 -9.655 1.00 1.00 C ATOM 822 C ILE B 693 31.029 -13.645 -9.741 1.00 1.00 C ATOM 823 O ILE B 693 31.204 -12.970 -8.727 1.00 1.00 O ATOM 824 CB ILE B 693 31.681 -16.032 -9.410 1.00 1.00 C ATOM 825 CG1 ILE B 693 32.221 -15.849 -7.985 1.00 1.00 C ATOM 826 CG2 ILE B 693 32.796 -15.734 -10.412 1.00 1.00 C ATOM 827 CD1 ILE B 693 31.169 -16.279 -6.953 1.00 1.00 C ATOM 0 H ILE B 693 30.280 -16.165 -11.428 1.00 1.00 H new ATOM 0 HA ILE B 693 29.808 -15.152 -8.827 1.00 1.00 H new ATOM 0 HB ILE B 693 31.334 -17.058 -9.533 1.00 1.00 H new ATOM 0 HG12 ILE B 693 33.129 -16.438 -7.855 1.00 1.00 H new ATOM 0 HG13 ILE B 693 32.492 -14.806 -7.824 1.00 1.00 H new ATOM 0 HG21 ILE B 693 33.630 -16.415 -10.241 1.00 1.00 H new ATOM 0 HG22 ILE B 693 32.419 -15.868 -11.426 1.00 1.00 H new ATOM 0 HG23 ILE B 693 33.135 -14.706 -10.284 1.00 1.00 H new ATOM 0 HD11 ILE B 693 31.568 -16.143 -5.948 1.00 1.00 H new ATOM 0 HD12 ILE B 693 30.272 -15.671 -7.073 1.00 1.00 H new ATOM 0 HD13 ILE B 693 30.918 -17.329 -7.105 1.00 1.00 H new ATOM 839 N LEU B 694 31.272 -13.198 -10.968 1.00 1.00 N ATOM 840 CA LEU B 694 31.773 -11.849 -11.198 1.00 1.00 C ATOM 841 C LEU B 694 30.763 -10.815 -10.718 1.00 1.00 C ATOM 842 O LEU B 694 31.134 -9.807 -10.118 1.00 1.00 O ATOM 843 CB LEU B 694 32.048 -11.640 -12.690 1.00 1.00 C ATOM 844 CG LEU B 694 33.252 -12.490 -13.118 1.00 1.00 C ATOM 845 CD1 LEU B 694 33.379 -12.454 -14.641 1.00 1.00 C ATOM 846 CD2 LEU B 694 34.541 -11.946 -12.484 1.00 1.00 C ATOM 0 H LEU B 694 31.131 -13.748 -11.815 1.00 1.00 H new ATOM 0 HA LEU B 694 32.699 -11.726 -10.637 1.00 1.00 H new ATOM 0 HB2 LEU B 694 31.170 -11.916 -13.274 1.00 1.00 H new ATOM 0 HB3 LEU B 694 32.245 -10.587 -12.889 1.00 1.00 H new ATOM 0 HG LEU B 694 33.100 -13.516 -12.783 1.00 1.00 H new ATOM 0 HD11 LEU B 694 34.233 -13.057 -14.949 1.00 1.00 H new ATOM 0 HD12 LEU B 694 32.471 -12.855 -15.091 1.00 1.00 H new ATOM 0 HD13 LEU B 694 33.524 -11.425 -14.970 1.00 1.00 H new ATOM 0 HD21 LEU B 694 35.387 -12.559 -12.796 1.00 1.00 H new ATOM 0 HD22 LEU B 694 34.699 -10.917 -12.807 1.00 1.00 H new ATOM 0 HD23 LEU B 694 34.453 -11.976 -11.398 1.00 1.00 H new ATOM 858 N VAL B 695 29.488 -11.069 -10.983 1.00 1.00 N ATOM 859 CA VAL B 695 28.434 -10.147 -10.574 1.00 1.00 C ATOM 860 C VAL B 695 28.390 -10.028 -9.055 1.00 1.00 C ATOM 861 O VAL B 695 28.274 -8.930 -8.513 1.00 1.00 O ATOM 862 CB VAL B 695 27.078 -10.633 -11.089 1.00 1.00 C ATOM 863 CG1 VAL B 695 25.966 -9.762 -10.497 1.00 1.00 C ATOM 864 CG2 VAL B 695 27.044 -10.528 -12.616 1.00 1.00 C ATOM 0 H VAL B 695 29.159 -11.899 -11.476 1.00 1.00 H new ATOM 0 HA VAL B 695 28.651 -9.168 -11.000 1.00 1.00 H new ATOM 0 HB VAL B 695 26.928 -11.671 -10.791 1.00 1.00 H new ATOM 0 HG11 VAL B 695 24.999 -10.107 -10.863 1.00 1.00 H new ATOM 0 HG12 VAL B 695 25.988 -9.833 -9.410 1.00 1.00 H new ATOM 0 HG13 VAL B 695 26.118 -8.725 -10.796 1.00 1.00 H new ATOM 0 HG21 VAL B 695 26.078 -10.874 -12.983 1.00 1.00 H new ATOM 0 HG22 VAL B 695 27.194 -9.490 -12.913 1.00 1.00 H new ATOM 0 HG23 VAL B 695 27.836 -11.145 -13.041 1.00 1.00 H new ATOM 874 N VAL B 696 28.479 -11.164 -8.376 1.00 1.00 N ATOM 875 CA VAL B 696 28.443 -11.176 -6.920 1.00 1.00 C ATOM 876 C VAL B 696 29.618 -10.391 -6.344 1.00 1.00 C ATOM 877 O VAL B 696 29.451 -9.602 -5.414 1.00 1.00 O ATOM 878 CB VAL B 696 28.492 -12.617 -6.410 1.00 1.00 C ATOM 879 CG1 VAL B 696 28.661 -12.614 -4.891 1.00 1.00 C ATOM 880 CG2 VAL B 696 27.187 -13.328 -6.777 1.00 1.00 C ATOM 0 H VAL B 696 28.576 -12.083 -8.807 1.00 1.00 H new ATOM 0 HA VAL B 696 27.515 -10.705 -6.596 1.00 1.00 H new ATOM 0 HB VAL B 696 29.333 -13.138 -6.867 1.00 1.00 H new ATOM 0 HG11 VAL B 696 28.696 -13.641 -4.527 1.00 1.00 H new ATOM 0 HG12 VAL B 696 29.588 -12.104 -4.629 1.00 1.00 H new ATOM 0 HG13 VAL B 696 27.819 -12.095 -4.432 1.00 1.00 H new ATOM 0 HG21 VAL B 696 27.218 -14.356 -6.415 1.00 1.00 H new ATOM 0 HG22 VAL B 696 26.347 -12.807 -6.318 1.00 1.00 H new ATOM 0 HG23 VAL B 696 27.065 -13.328 -7.860 1.00 1.00 H new ATOM 890 N LEU B 697 30.807 -10.614 -6.896 1.00 1.00 N ATOM 891 CA LEU B 697 31.998 -9.918 -6.417 1.00 1.00 C ATOM 892 C LEU B 697 31.852 -8.410 -6.615 1.00 1.00 C ATOM 893 O LEU B 697 32.182 -7.624 -5.727 1.00 1.00 O ATOM 894 CB LEU B 697 33.234 -10.428 -7.172 1.00 1.00 C ATOM 895 CG LEU B 697 34.495 -9.690 -6.698 1.00 1.00 C ATOM 896 CD1 LEU B 697 34.673 -9.867 -5.189 1.00 1.00 C ATOM 897 CD2 LEU B 697 35.715 -10.267 -7.422 1.00 1.00 C ATOM 0 H LEU B 697 30.972 -11.263 -7.666 1.00 1.00 H new ATOM 0 HA LEU B 697 32.117 -10.118 -5.352 1.00 1.00 H new ATOM 0 HB2 LEU B 697 33.350 -11.500 -7.010 1.00 1.00 H new ATOM 0 HB3 LEU B 697 33.100 -10.280 -8.244 1.00 1.00 H new ATOM 0 HG LEU B 697 34.395 -8.628 -6.922 1.00 1.00 H new ATOM 0 HD11 LEU B 697 35.570 -9.340 -4.864 1.00 1.00 H new ATOM 0 HD12 LEU B 697 33.805 -9.460 -4.670 1.00 1.00 H new ATOM 0 HD13 LEU B 697 34.771 -10.927 -4.956 1.00 1.00 H new ATOM 0 HD21 LEU B 697 36.614 -9.748 -7.090 1.00 1.00 H new ATOM 0 HD22 LEU B 697 35.805 -11.329 -7.194 1.00 1.00 H new ATOM 0 HD23 LEU B 697 35.596 -10.135 -8.497 1.00 1.00 H new ATOM 909 N LEU B 698 31.348 -8.013 -7.780 1.00 1.00 N ATOM 910 CA LEU B 698 31.155 -6.597 -8.071 1.00 1.00 C ATOM 911 C LEU B 698 30.140 -5.989 -7.108 1.00 1.00 C ATOM 912 O LEU B 698 30.321 -4.874 -6.619 1.00 1.00 O ATOM 913 CB LEU B 698 30.672 -6.416 -9.512 1.00 1.00 C ATOM 914 CG LEU B 698 31.806 -6.763 -10.485 1.00 1.00 C ATOM 915 CD1 LEU B 698 31.256 -6.812 -11.912 1.00 1.00 C ATOM 916 CD2 LEU B 698 32.919 -5.708 -10.406 1.00 1.00 C ATOM 0 H LEU B 698 31.069 -8.645 -8.530 1.00 1.00 H new ATOM 0 HA LEU B 698 32.110 -6.086 -7.946 1.00 1.00 H new ATOM 0 HB2 LEU B 698 29.810 -7.056 -9.700 1.00 1.00 H new ATOM 0 HB3 LEU B 698 30.346 -5.388 -9.670 1.00 1.00 H new ATOM 0 HG LEU B 698 32.218 -7.735 -10.213 1.00 1.00 H new ATOM 0 HD11 LEU B 698 32.061 -7.059 -12.604 1.00 1.00 H new ATOM 0 HD12 LEU B 698 30.477 -7.572 -11.976 1.00 1.00 H new ATOM 0 HD13 LEU B 698 30.837 -5.840 -12.174 1.00 1.00 H new ATOM 0 HD21 LEU B 698 33.717 -5.968 -11.102 1.00 1.00 H new ATOM 0 HD22 LEU B 698 32.513 -4.731 -10.668 1.00 1.00 H new ATOM 0 HD23 LEU B 698 33.318 -5.676 -9.392 1.00 1.00 H new ATOM 928 N SER B 699 29.069 -6.731 -6.843 1.00 1.00 N ATOM 929 CA SER B 699 28.025 -6.260 -5.941 1.00 1.00 C ATOM 930 C SER B 699 28.595 -6.001 -4.549 1.00 1.00 C ATOM 931 O SER B 699 28.259 -5.004 -3.910 1.00 1.00 O ATOM 932 CB SER B 699 26.907 -7.298 -5.850 1.00 1.00 C ATOM 933 OG SER B 699 26.350 -7.499 -7.143 1.00 1.00 O ATOM 0 H SER B 699 28.902 -7.656 -7.238 1.00 1.00 H new ATOM 0 HA SER B 699 27.624 -5.327 -6.336 1.00 1.00 H new ATOM 0 HB2 SER B 699 27.298 -8.238 -5.459 1.00 1.00 H new ATOM 0 HB3 SER B 699 26.136 -6.960 -5.157 1.00 1.00 H new ATOM 0 HG SER B 699 27.000 -7.962 -7.711 1.00 1.00 H new ATOM 939 N VAL B 700 29.454 -6.901 -4.086 1.00 1.00 N ATOM 940 CA VAL B 700 30.060 -6.753 -2.766 1.00 1.00 C ATOM 941 C VAL B 700 30.901 -5.480 -2.701 1.00 1.00 C ATOM 942 O VAL B 700 30.814 -4.714 -1.741 1.00 1.00 O ATOM 943 CB VAL B 700 30.951 -7.960 -2.467 1.00 1.00 C ATOM 944 CG1 VAL B 700 31.776 -7.685 -1.208 1.00 1.00 C ATOM 945 CG2 VAL B 700 30.082 -9.198 -2.238 1.00 1.00 C ATOM 0 H VAL B 700 29.745 -7.734 -4.598 1.00 1.00 H new ATOM 0 HA VAL B 700 29.262 -6.690 -2.026 1.00 1.00 H new ATOM 0 HB VAL B 700 31.616 -8.134 -3.313 1.00 1.00 H new ATOM 0 HG11 VAL B 700 32.411 -8.545 -0.994 1.00 1.00 H new ATOM 0 HG12 VAL B 700 32.398 -6.804 -1.366 1.00 1.00 H new ATOM 0 HG13 VAL B 700 31.107 -7.510 -0.366 1.00 1.00 H new ATOM 0 HG21 VAL B 700 30.720 -10.056 -2.025 1.00 1.00 H new ATOM 0 HG22 VAL B 700 29.415 -9.023 -1.394 1.00 1.00 H new ATOM 0 HG23 VAL B 700 29.491 -9.398 -3.132 1.00 1.00 H new ATOM 955 N MET B 701 31.717 -5.267 -3.727 1.00 1.00 N ATOM 956 CA MET B 701 32.575 -4.087 -3.781 1.00 1.00 C ATOM 957 C MET B 701 31.746 -2.806 -3.848 1.00 1.00 C ATOM 958 O MET B 701 32.079 -1.804 -3.213 1.00 1.00 O ATOM 959 CB MET B 701 33.490 -4.164 -5.004 1.00 1.00 C ATOM 960 CG MET B 701 34.599 -5.186 -4.747 1.00 1.00 C ATOM 961 SD MET B 701 35.619 -5.362 -6.234 1.00 1.00 S ATOM 962 CE MET B 701 36.409 -3.732 -6.186 1.00 1.00 C ATOM 0 H MET B 701 31.803 -5.891 -4.529 1.00 1.00 H new ATOM 0 HA MET B 701 33.175 -4.065 -2.871 1.00 1.00 H new ATOM 0 HB2 MET B 701 32.915 -4.449 -5.885 1.00 1.00 H new ATOM 0 HB3 MET B 701 33.923 -3.185 -5.210 1.00 1.00 H new ATOM 0 HG2 MET B 701 35.215 -4.866 -3.907 1.00 1.00 H new ATOM 0 HG3 MET B 701 34.165 -6.148 -4.475 1.00 1.00 H new ATOM 0 HE1 MET B 701 37.355 -3.770 -6.726 1.00 1.00 H new ATOM 0 HE2 MET B 701 35.754 -2.996 -6.653 1.00 1.00 H new ATOM 0 HE3 MET B 701 36.594 -3.448 -5.150 1.00 1.00 H new ATOM 972 N GLY B 702 30.674 -2.843 -4.632 1.00 1.00 N ATOM 973 CA GLY B 702 29.813 -1.676 -4.788 1.00 1.00 C ATOM 974 C GLY B 702 29.146 -1.289 -3.471 1.00 1.00 C ATOM 975 O GLY B 702 29.029 -0.104 -3.152 1.00 1.00 O ATOM 0 H GLY B 702 30.382 -3.662 -5.166 1.00 1.00 H new ATOM 0 HA2 GLY B 702 30.401 -0.837 -5.159 1.00 1.00 H new ATOM 0 HA3 GLY B 702 29.048 -1.885 -5.536 1.00 1.00 H new ATOM 979 N ALA B 703 28.697 -2.285 -2.715 1.00 1.00 N ATOM 980 CA ALA B 703 28.032 -2.018 -1.445 1.00 1.00 C ATOM 981 C ALA B 703 28.988 -1.363 -0.454 1.00 1.00 C ATOM 982 O ALA B 703 28.608 -0.446 0.272 1.00 1.00 O ATOM 983 CB ALA B 703 27.499 -3.324 -0.852 1.00 1.00 C ATOM 0 H ALA B 703 28.780 -3.273 -2.955 1.00 1.00 H new ATOM 0 HA ALA B 703 27.204 -1.334 -1.633 1.00 1.00 H new ATOM 0 HB1 ALA B 703 27.003 -3.117 0.097 1.00 1.00 H new ATOM 0 HB2 ALA B 703 26.786 -3.773 -1.543 1.00 1.00 H new ATOM 0 HB3 ALA B 703 28.327 -4.013 -0.686 1.00 1.00 H new ATOM 989 N ILE B 704 30.228 -1.835 -0.433 1.00 1.00 N ATOM 990 CA ILE B 704 31.229 -1.285 0.476 1.00 1.00 C ATOM 991 C ILE B 704 31.517 0.174 0.137 1.00 1.00 C ATOM 992 O ILE B 704 31.634 1.015 1.027 1.00 1.00 O ATOM 993 CB ILE B 704 32.522 -2.102 0.404 1.00 1.00 C ATOM 994 CG1 ILE B 704 32.285 -3.519 0.968 1.00 1.00 C ATOM 995 CG2 ILE B 704 33.628 -1.393 1.197 1.00 1.00 C ATOM 996 CD1 ILE B 704 31.848 -3.478 2.443 1.00 1.00 C ATOM 0 H ILE B 704 30.564 -2.591 -1.029 1.00 1.00 H new ATOM 0 HA ILE B 704 30.834 -1.338 1.490 1.00 1.00 H new ATOM 0 HB ILE B 704 32.833 -2.189 -0.637 1.00 1.00 H new ATOM 0 HG12 ILE B 704 31.521 -4.023 0.376 1.00 1.00 H new ATOM 0 HG13 ILE B 704 33.199 -4.105 0.875 1.00 1.00 H new ATOM 0 HG21 ILE B 704 34.546 -1.978 1.143 1.00 1.00 H new ATOM 0 HG22 ILE B 704 33.802 -0.404 0.774 1.00 1.00 H new ATOM 0 HG23 ILE B 704 33.322 -1.293 2.238 1.00 1.00 H new ATOM 0 HD11 ILE B 704 31.691 -4.494 2.804 1.00 1.00 H new ATOM 0 HD12 ILE B 704 32.623 -2.997 3.039 1.00 1.00 H new ATOM 0 HD13 ILE B 704 30.920 -2.914 2.532 1.00 1.00 H new ATOM 1008 N LEU B 705 31.644 0.466 -1.149 1.00 1.00 N ATOM 1009 CA LEU B 705 31.935 1.827 -1.582 1.00 1.00 C ATOM 1010 C LEU B 705 30.822 2.771 -1.142 1.00 1.00 C ATOM 1011 O LEU B 705 31.092 3.877 -0.674 1.00 1.00 O ATOM 1012 CB LEU B 705 32.090 1.868 -3.109 1.00 1.00 C ATOM 1013 CG LEU B 705 32.358 3.302 -3.589 1.00 1.00 C ATOM 1014 CD1 LEU B 705 33.599 3.869 -2.894 1.00 1.00 C ATOM 1015 CD2 LEU B 705 32.594 3.286 -5.101 1.00 1.00 C ATOM 0 H LEU B 705 31.552 -0.212 -1.905 1.00 1.00 H new ATOM 0 HA LEU B 705 32.868 2.151 -1.122 1.00 1.00 H new ATOM 0 HB2 LEU B 705 32.910 1.218 -3.414 1.00 1.00 H new ATOM 0 HB3 LEU B 705 31.186 1.484 -3.582 1.00 1.00 H new ATOM 0 HG LEU B 705 31.498 3.927 -3.348 1.00 1.00 H new ATOM 0 HD11 LEU B 705 33.779 4.886 -3.243 1.00 1.00 H new ATOM 0 HD12 LEU B 705 33.440 3.878 -1.816 1.00 1.00 H new ATOM 0 HD13 LEU B 705 34.463 3.247 -3.128 1.00 1.00 H new ATOM 0 HD21 LEU B 705 32.785 4.301 -5.450 1.00 1.00 H new ATOM 0 HD22 LEU B 705 33.454 2.656 -5.328 1.00 1.00 H new ATOM 0 HD23 LEU B 705 31.711 2.890 -5.603 1.00 1.00 H new ATOM 1027 N LEU B 706 29.573 2.334 -1.286 1.00 1.00 N ATOM 1028 CA LEU B 706 28.449 3.168 -0.882 1.00 1.00 C ATOM 1029 C LEU B 706 28.509 3.432 0.619 1.00 1.00 C ATOM 1030 O LEU B 706 28.315 4.561 1.069 1.00 1.00 O ATOM 1031 CB LEU B 706 27.126 2.473 -1.241 1.00 1.00 C ATOM 1032 CG LEU B 706 25.933 3.332 -0.802 1.00 1.00 C ATOM 1033 CD1 LEU B 706 26.007 4.712 -1.461 1.00 1.00 C ATOM 1034 CD2 LEU B 706 24.635 2.640 -1.223 1.00 1.00 C ATOM 0 H LEU B 706 29.318 1.425 -1.672 1.00 1.00 H new ATOM 0 HA LEU B 706 28.505 4.120 -1.411 1.00 1.00 H new ATOM 0 HB2 LEU B 706 27.080 2.298 -2.316 1.00 1.00 H new ATOM 0 HB3 LEU B 706 27.077 1.498 -0.757 1.00 1.00 H new ATOM 0 HG LEU B 706 25.958 3.453 0.281 1.00 1.00 H new ATOM 0 HD11 LEU B 706 25.156 5.313 -1.143 1.00 1.00 H new ATOM 0 HD12 LEU B 706 26.932 5.207 -1.165 1.00 1.00 H new ATOM 0 HD13 LEU B 706 25.986 4.599 -2.545 1.00 1.00 H new ATOM 0 HD21 LEU B 706 23.783 3.246 -0.914 1.00 1.00 H new ATOM 0 HD22 LEU B 706 24.621 2.520 -2.306 1.00 1.00 H new ATOM 0 HD23 LEU B 706 24.575 1.660 -0.749 1.00 1.00 H new ATOM 1046 N ILE B 707 28.801 2.390 1.389 1.00 1.00 N ATOM 1047 CA ILE B 707 28.904 2.534 2.837 1.00 1.00 C ATOM 1048 C ILE B 707 30.065 3.461 3.196 1.00 1.00 C ATOM 1049 O ILE B 707 29.932 4.321 4.068 1.00 1.00 O ATOM 1050 CB ILE B 707 29.113 1.166 3.498 1.00 1.00 C ATOM 1051 CG1 ILE B 707 27.844 0.300 3.345 1.00 1.00 C ATOM 1052 CG2 ILE B 707 29.463 1.340 4.981 1.00 1.00 C ATOM 1053 CD1 ILE B 707 26.630 0.950 4.028 1.00 1.00 C ATOM 0 H ILE B 707 28.969 1.446 1.040 1.00 1.00 H new ATOM 0 HA ILE B 707 27.974 2.967 3.205 1.00 1.00 H new ATOM 0 HB ILE B 707 29.942 0.661 3.002 1.00 1.00 H new ATOM 0 HG12 ILE B 707 27.630 0.151 2.287 1.00 1.00 H new ATOM 0 HG13 ILE B 707 28.021 -0.685 3.777 1.00 1.00 H new ATOM 0 HG21 ILE B 707 29.609 0.361 5.438 1.00 1.00 H new ATOM 0 HG22 ILE B 707 30.379 1.923 5.073 1.00 1.00 H new ATOM 0 HG23 ILE B 707 28.650 1.860 5.488 1.00 1.00 H new ATOM 0 HD11 ILE B 707 25.756 0.312 3.899 1.00 1.00 H new ATOM 0 HD12 ILE B 707 26.835 1.075 5.091 1.00 1.00 H new ATOM 0 HD13 ILE B 707 26.438 1.924 3.578 1.00 1.00 H new ATOM 1065 N GLY B 708 31.204 3.283 2.528 1.00 1.00 N ATOM 1066 CA GLY B 708 32.370 4.118 2.806 1.00 1.00 C ATOM 1067 C GLY B 708 32.061 5.580 2.513 1.00 1.00 C ATOM 1068 O GLY B 708 32.386 6.469 3.303 1.00 1.00 O ATOM 0 H GLY B 708 31.343 2.580 1.802 1.00 1.00 H new ATOM 0 HA2 GLY B 708 32.665 4.005 3.849 1.00 1.00 H new ATOM 0 HA3 GLY B 708 33.213 3.789 2.198 1.00 1.00 H new ATOM 1072 N LEU B 709 31.428 5.823 1.372 1.00 1.00 N ATOM 1073 CA LEU B 709 31.077 7.185 0.985 1.00 1.00 C ATOM 1074 C LEU B 709 30.069 7.782 1.975 1.00 1.00 C ATOM 1075 O LEU B 709 30.179 8.947 2.366 1.00 1.00 O ATOM 1076 CB LEU B 709 30.492 7.192 -0.435 1.00 1.00 C ATOM 1077 CG LEU B 709 30.162 8.621 -0.875 1.00 1.00 C ATOM 1078 CD1 LEU B 709 31.431 9.479 -0.849 1.00 1.00 C ATOM 1079 CD2 LEU B 709 29.600 8.599 -2.299 1.00 1.00 C ATOM 0 H LEU B 709 31.149 5.104 0.704 1.00 1.00 H new ATOM 0 HA LEU B 709 31.980 7.796 1.001 1.00 1.00 H new ATOM 0 HB2 LEU B 709 31.204 6.747 -1.130 1.00 1.00 H new ATOM 0 HB3 LEU B 709 29.591 6.579 -0.466 1.00 1.00 H new ATOM 0 HG LEU B 709 29.424 9.044 -0.193 1.00 1.00 H new ATOM 0 HD11 LEU B 709 31.190 10.495 -1.163 1.00 1.00 H new ATOM 0 HD12 LEU B 709 31.836 9.498 0.163 1.00 1.00 H new ATOM 0 HD13 LEU B 709 32.171 9.055 -1.528 1.00 1.00 H new ATOM 0 HD21 LEU B 709 29.365 9.616 -2.613 1.00 1.00 H new ATOM 0 HD22 LEU B 709 30.340 8.172 -2.976 1.00 1.00 H new ATOM 0 HD23 LEU B 709 28.694 7.993 -2.323 1.00 1.00 H new ATOM 1091 N ALA B 710 29.073 6.973 2.360 1.00 1.00 N ATOM 1092 CA ALA B 710 28.036 7.430 3.286 1.00 1.00 C ATOM 1093 C ALA B 710 28.631 7.837 4.639 1.00 1.00 C ATOM 1094 O ALA B 710 28.232 8.848 5.230 1.00 1.00 O ATOM 1095 CB ALA B 710 27.012 6.317 3.508 1.00 1.00 C ATOM 0 H ALA B 710 28.966 6.008 2.046 1.00 1.00 H new ATOM 0 HA ALA B 710 27.556 8.302 2.842 1.00 1.00 H new ATOM 0 HB1 ALA B 710 26.243 6.663 4.198 1.00 1.00 H new ATOM 0 HB2 ALA B 710 26.552 6.050 2.556 1.00 1.00 H new ATOM 0 HB3 ALA B 710 27.510 5.443 3.928 1.00 1.00 H new ATOM 1101 N ALA B 711 29.579 7.050 5.135 1.00 1.00 N ATOM 1102 CA ALA B 711 30.196 7.367 6.420 1.00 1.00 C ATOM 1103 C ALA B 711 30.947 8.694 6.338 1.00 1.00 C ATOM 1104 O ALA B 711 30.878 9.515 7.253 1.00 1.00 O ATOM 1105 CB ALA B 711 31.160 6.248 6.832 1.00 1.00 C ATOM 0 H ALA B 711 29.931 6.207 4.681 1.00 1.00 H new ATOM 0 HA ALA B 711 29.409 7.455 7.169 1.00 1.00 H new ATOM 0 HB1 ALA B 711 31.615 6.494 7.792 1.00 1.00 H new ATOM 0 HB2 ALA B 711 30.612 5.310 6.920 1.00 1.00 H new ATOM 0 HB3 ALA B 711 31.940 6.143 6.077 1.00 1.00 H new ATOM 1111 N LEU B 712 31.646 8.904 5.230 1.00 1.00 N ATOM 1112 CA LEU B 712 32.399 10.141 5.032 1.00 1.00 C ATOM 1113 C LEU B 712 31.457 11.335 4.990 1.00 1.00 C ATOM 1114 O LEU B 712 31.750 12.387 5.554 1.00 1.00 O ATOM 1115 CB LEU B 712 33.191 10.064 3.722 1.00 1.00 C ATOM 1116 CG LEU B 712 34.311 9.022 3.855 1.00 1.00 C ATOM 1117 CD1 LEU B 712 34.978 8.811 2.493 1.00 1.00 C ATOM 1118 CD2 LEU B 712 35.359 9.494 4.866 1.00 1.00 C ATOM 0 H LEU B 712 31.709 8.240 4.458 1.00 1.00 H new ATOM 0 HA LEU B 712 33.089 10.266 5.866 1.00 1.00 H new ATOM 0 HB2 LEU B 712 32.527 9.796 2.900 1.00 1.00 H new ATOM 0 HB3 LEU B 712 33.615 11.040 3.484 1.00 1.00 H new ATOM 0 HG LEU B 712 33.879 8.084 4.204 1.00 1.00 H new ATOM 0 HD11 LEU B 712 35.773 8.071 2.588 1.00 1.00 H new ATOM 0 HD12 LEU B 712 34.237 8.458 1.776 1.00 1.00 H new ATOM 0 HD13 LEU B 712 35.399 9.754 2.144 1.00 1.00 H new ATOM 0 HD21 LEU B 712 36.147 8.745 4.950 1.00 1.00 H new ATOM 0 HD22 LEU B 712 35.789 10.437 4.530 1.00 1.00 H new ATOM 0 HD23 LEU B 712 34.888 9.636 5.839 1.00 1.00 H new ATOM 1130 N LEU B 713 30.330 11.165 4.309 1.00 1.00 N ATOM 1131 CA LEU B 713 29.349 12.243 4.184 1.00 1.00 C ATOM 1132 C LEU B 713 28.801 12.635 5.555 1.00 1.00 C ATOM 1133 O LEU B 713 28.657 13.819 5.855 1.00 1.00 O ATOM 1134 CB LEU B 713 28.198 11.799 3.268 1.00 1.00 C ATOM 1135 CG LEU B 713 27.152 12.914 3.131 1.00 1.00 C ATOM 1136 CD1 LEU B 713 27.809 14.189 2.584 1.00 1.00 C ATOM 1137 CD2 LEU B 713 26.055 12.455 2.169 1.00 1.00 C ATOM 0 H LEU B 713 30.071 10.299 3.837 1.00 1.00 H new ATOM 0 HA LEU B 713 29.843 13.111 3.747 1.00 1.00 H new ATOM 0 HB2 LEU B 713 28.589 11.538 2.285 1.00 1.00 H new ATOM 0 HB3 LEU B 713 27.730 10.902 3.673 1.00 1.00 H new ATOM 0 HG LEU B 713 26.723 13.128 4.110 1.00 1.00 H new ATOM 0 HD11 LEU B 713 27.058 14.974 2.491 1.00 1.00 H new ATOM 0 HD12 LEU B 713 28.593 14.516 3.267 1.00 1.00 H new ATOM 0 HD13 LEU B 713 28.243 13.984 1.605 1.00 1.00 H new ATOM 0 HD21 LEU B 713 25.308 13.242 2.067 1.00 1.00 H new ATOM 0 HD22 LEU B 713 26.492 12.241 1.194 1.00 1.00 H new ATOM 0 HD23 LEU B 713 25.582 11.554 2.560 1.00 1.00 H new ATOM 1149 N ILE B 714 28.504 11.642 6.387 1.00 1.00 N ATOM 1150 CA ILE B 714 27.979 11.919 7.717 1.00 1.00 C ATOM 1151 C ILE B 714 29.013 12.682 8.539 1.00 1.00 C ATOM 1152 O ILE B 714 28.687 13.654 9.219 1.00 1.00 O ATOM 1153 CB ILE B 714 27.632 10.601 8.412 1.00 1.00 C ATOM 1154 CG1 ILE B 714 26.440 9.952 7.698 1.00 1.00 C ATOM 1155 CG2 ILE B 714 27.270 10.873 9.869 1.00 1.00 C ATOM 1156 CD1 ILE B 714 26.259 8.518 8.199 1.00 1.00 C ATOM 0 H ILE B 714 28.616 10.652 6.168 1.00 1.00 H new ATOM 0 HA ILE B 714 27.080 12.530 7.628 1.00 1.00 H new ATOM 0 HB ILE B 714 28.490 9.930 8.374 1.00 1.00 H new ATOM 0 HG12 ILE B 714 25.534 10.529 7.883 1.00 1.00 H new ATOM 0 HG13 ILE B 714 26.604 9.953 6.620 1.00 1.00 H new ATOM 0 HG21 ILE B 714 27.023 9.934 10.364 1.00 1.00 H new ATOM 0 HG22 ILE B 714 28.117 11.337 10.374 1.00 1.00 H new ATOM 0 HG23 ILE B 714 26.411 11.543 9.912 1.00 1.00 H new ATOM 0 HD11 ILE B 714 25.411 8.059 7.690 1.00 1.00 H new ATOM 0 HD12 ILE B 714 27.162 7.943 7.991 1.00 1.00 H new ATOM 0 HD13 ILE B 714 26.075 8.528 9.273 1.00 1.00 H new ATOM 1168 N TRP B 715 30.264 12.242 8.462 1.00 1.00 N ATOM 1169 CA TRP B 715 31.345 12.890 9.193 1.00 1.00 C ATOM 1170 C TRP B 715 31.461 14.352 8.740 1.00 1.00 C ATOM 1171 O TRP B 715 31.636 15.260 9.554 1.00 1.00 O ATOM 1172 CB TRP B 715 32.655 12.139 8.927 1.00 1.00 C ATOM 1173 CG TRP B 715 33.552 12.225 10.123 1.00 1.00 C ATOM 1174 CD1 TRP B 715 33.608 13.252 11.003 1.00 1.00 C ATOM 1175 CD2 TRP B 715 34.511 11.240 10.594 1.00 1.00 C ATOM 1176 NE1 TRP B 715 34.550 12.960 11.973 1.00 1.00 N ATOM 1177 CE2 TRP B 715 35.135 11.731 11.762 1.00 1.00 C ATOM 1178 CE3 TRP B 715 34.900 9.981 10.115 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 36.112 10.997 12.435 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 35.880 9.238 10.787 1.00 1.00 C ATOM 1181 CH2 TRP B 715 36.486 9.746 11.946 1.00 1.00 C ATOM 0 H TRP B 715 30.554 11.441 7.902 1.00 1.00 H new ATOM 0 HA TRP B 715 31.138 12.870 10.263 1.00 1.00 H new ATOM 0 HB2 TRP B 715 32.444 11.095 8.696 1.00 1.00 H new ATOM 0 HB3 TRP B 715 33.156 12.563 8.057 1.00 1.00 H new ATOM 0 HD1 TRP B 715 33.014 14.153 10.956 1.00 1.00 H new ATOM 0 HE1 TRP B 715 34.783 13.579 12.749 1.00 1.00 H new ATOM 0 HE3 TRP B 715 34.442 9.581 9.223 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 36.574 11.394 13.327 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 36.171 8.268 10.410 1.00 1.00 H new ATOM 0 HH2 TRP B 715 37.241 9.169 12.459 1.00 1.00 H new ATOM 1192 N LYS B 716 31.349 14.570 7.429 1.00 1.00 N ATOM 1193 CA LYS B 716 31.436 15.919 6.860 1.00 1.00 C ATOM 1194 C LYS B 716 30.322 16.814 7.408 1.00 1.00 C ATOM 1195 O LYS B 716 30.548 17.984 7.731 1.00 1.00 O ATOM 1196 CB LYS B 716 31.287 15.829 5.332 1.00 1.00 C ATOM 1197 CG LYS B 716 32.615 16.122 4.603 1.00 1.00 C ATOM 1198 CD LYS B 716 32.747 17.614 4.255 1.00 1.00 C ATOM 1199 CE LYS B 716 33.036 18.430 5.517 1.00 1.00 C ATOM 1200 NZ LYS B 716 33.399 19.824 5.135 1.00 1.00 N ATOM 0 H LYS B 716 31.198 13.832 6.741 1.00 1.00 H new ATOM 0 HA LYS B 716 32.401 16.348 7.130 1.00 1.00 H new ATOM 0 HB2 LYS B 716 30.936 14.833 5.060 1.00 1.00 H new ATOM 0 HB3 LYS B 716 30.527 16.536 5.000 1.00 1.00 H new ATOM 0 HG2 LYS B 716 33.452 15.818 5.232 1.00 1.00 H new ATOM 0 HG3 LYS B 716 32.670 15.528 3.691 1.00 1.00 H new ATOM 0 HD2 LYS B 716 33.549 17.756 3.530 1.00 1.00 H new ATOM 0 HD3 LYS B 716 31.828 17.968 3.787 1.00 1.00 H new ATOM 0 HE2 LYS B 716 32.161 18.436 6.167 1.00 1.00 H new ATOM 0 HE3 LYS B 716 33.849 17.973 6.081 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 33.595 20.379 5.992 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 34.245 19.809 4.531 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 32.610 20.258 4.615 1.00 1.00 H new ATOM 1214 N LEU B 717 29.119 16.261 7.505 1.00 1.00 N ATOM 1215 CA LEU B 717 27.978 17.014 8.013 1.00 1.00 C ATOM 1216 C LEU B 717 28.206 17.423 9.469 1.00 1.00 C ATOM 1217 O LEU B 717 27.860 18.537 9.872 1.00 1.00 O ATOM 1218 CB LEU B 717 26.697 16.162 7.904 1.00 1.00 C ATOM 1219 CG LEU B 717 26.294 15.993 6.435 1.00 1.00 C ATOM 1220 CD1 LEU B 717 25.155 14.972 6.338 1.00 1.00 C ATOM 1221 CD2 LEU B 717 25.835 17.344 5.854 1.00 1.00 C ATOM 0 H LEU B 717 28.908 15.299 7.240 1.00 1.00 H new ATOM 0 HA LEU B 717 27.864 17.917 7.413 1.00 1.00 H new ATOM 0 HB2 LEU B 717 26.862 15.185 8.358 1.00 1.00 H new ATOM 0 HB3 LEU B 717 25.888 16.638 8.458 1.00 1.00 H new ATOM 0 HG LEU B 717 27.152 15.639 5.864 1.00 1.00 H new ATOM 0 HD11 LEU B 717 24.865 14.849 5.295 1.00 1.00 H new ATOM 0 HD12 LEU B 717 25.490 14.015 6.737 1.00 1.00 H new ATOM 0 HD13 LEU B 717 24.299 15.326 6.913 1.00 1.00 H new ATOM 0 HD21 LEU B 717 25.551 17.213 4.810 1.00 1.00 H new ATOM 0 HD22 LEU B 717 24.979 17.711 6.420 1.00 1.00 H new ATOM 0 HD23 LEU B 717 26.650 18.065 5.921 1.00 1.00 H new ATOM 1233 N LEU B 718 28.762 16.509 10.262 1.00 1.00 N ATOM 1234 CA LEU B 718 28.998 16.786 11.684 1.00 1.00 C ATOM 1235 C LEU B 718 29.984 17.954 11.852 1.00 1.00 C ATOM 1236 O LEU B 718 29.794 18.856 12.683 1.00 1.00 O ATOM 1237 CB LEU B 718 29.578 15.538 12.358 1.00 1.00 C ATOM 1238 CG LEU B 718 28.526 14.423 12.427 1.00 1.00 C ATOM 1239 CD1 LEU B 718 29.179 13.122 12.910 1.00 1.00 C ATOM 1240 CD2 LEU B 718 27.408 14.806 13.404 1.00 1.00 C ATOM 0 H LEU B 718 29.055 15.582 9.953 1.00 1.00 H new ATOM 0 HA LEU B 718 28.049 17.055 12.148 1.00 1.00 H new ATOM 0 HB2 LEU B 718 30.449 15.190 11.803 1.00 1.00 H new ATOM 0 HB3 LEU B 718 29.919 15.786 13.363 1.00 1.00 H new ATOM 0 HG LEU B 718 28.106 14.282 11.431 1.00 1.00 H new ATOM 0 HD11 LEU B 718 28.428 12.334 12.957 1.00 1.00 H new ATOM 0 HD12 LEU B 718 29.967 12.831 12.216 1.00 1.00 H new ATOM 0 HD13 LEU B 718 29.607 13.276 13.901 1.00 1.00 H new ATOM 0 HD21 LEU B 718 26.669 14.006 13.443 1.00 1.00 H new ATOM 0 HD22 LEU B 718 27.830 14.959 14.397 1.00 1.00 H new ATOM 0 HD23 LEU B 718 26.930 15.726 13.067 1.00 1.00 H new ATOM 1252 N ILE B 719 31.033 17.948 11.046 1.00 1.00 N ATOM 1253 CA ILE B 719 32.019 19.038 11.104 1.00 1.00 C ATOM 1254 C ILE B 719 31.432 20.367 10.619 1.00 1.00 C ATOM 1255 O ILE B 719 31.696 21.434 11.197 1.00 1.00 O ATOM 1256 CB ILE B 719 33.310 18.723 10.353 1.00 1.00 C ATOM 1257 CG1 ILE B 719 34.088 17.664 11.123 1.00 1.00 C ATOM 1258 CG2 ILE B 719 34.147 20.000 10.265 1.00 1.00 C ATOM 1259 CD1 ILE B 719 35.293 17.225 10.294 1.00 1.00 C ATOM 0 H ILE B 719 31.230 17.223 10.356 1.00 1.00 H new ATOM 0 HA ILE B 719 32.277 19.137 12.158 1.00 1.00 H new ATOM 0 HB ILE B 719 33.084 18.355 9.352 1.00 1.00 H new ATOM 0 HG12 ILE B 719 34.417 18.063 12.082 1.00 1.00 H new ATOM 0 HG13 ILE B 719 33.447 16.808 11.337 1.00 1.00 H new ATOM 0 HG21 ILE B 719 35.074 19.791 9.731 1.00 1.00 H new ATOM 0 HG22 ILE B 719 33.585 20.767 9.732 1.00 1.00 H new ATOM 0 HG23 ILE B 719 34.379 20.353 11.270 1.00 1.00 H new ATOM 0 HD11 ILE B 719 35.854 16.467 10.840 1.00 1.00 H new ATOM 0 HD12 ILE B 719 34.951 16.810 9.346 1.00 1.00 H new ATOM 0 HD13 ILE B 719 35.936 18.084 10.103 1.00 1.00 H new ATOM 1271 N THR B 720 30.668 20.300 9.527 1.00 1.00 N ATOM 1272 CA THR B 720 30.082 21.507 8.939 1.00 1.00 C ATOM 1273 C THR B 720 29.117 22.208 9.893 1.00 1.00 C ATOM 1274 O THR B 720 29.142 23.437 10.014 1.00 1.00 O ATOM 1275 CB THR B 720 29.358 21.159 7.636 1.00 1.00 C ATOM 1276 OG1 THR B 720 30.218 20.372 6.830 1.00 1.00 O ATOM 1277 CG2 THR B 720 29.006 22.460 6.906 1.00 1.00 C ATOM 0 H THR B 720 30.442 19.435 9.037 1.00 1.00 H new ATOM 0 HA THR B 720 30.902 22.196 8.736 1.00 1.00 H new ATOM 0 HB THR B 720 28.446 20.600 7.844 1.00 1.00 H new ATOM 0 HG1 THR B 720 30.010 19.423 6.959 1.00 1.00 H new ATOM 0 HG21 THR B 720 28.489 22.227 5.975 1.00 1.00 H new ATOM 0 HG22 THR B 720 28.358 23.068 7.538 1.00 1.00 H new ATOM 0 HG23 THR B 720 29.920 23.012 6.685 1.00 1.00 H new ATOM 1285 N ILE B 721 28.256 21.442 10.559 1.00 1.00 N ATOM 1286 CA ILE B 721 27.294 22.042 11.476 1.00 1.00 C ATOM 1287 C ILE B 721 28.008 22.646 12.691 1.00 1.00 C ATOM 1288 O ILE B 721 27.689 23.759 13.136 1.00 1.00 O ATOM 1289 CB ILE B 721 26.247 21.003 11.913 1.00 1.00 C ATOM 1290 CG1 ILE B 721 25.199 21.675 12.781 1.00 1.00 C ATOM 1291 CG2 ILE B 721 26.897 19.872 12.699 1.00 1.00 C ATOM 1292 CD1 ILE B 721 24.036 20.712 12.986 1.00 1.00 C ATOM 0 H ILE B 721 28.205 20.426 10.483 1.00 1.00 H new ATOM 0 HA ILE B 721 26.777 22.848 10.955 1.00 1.00 H new ATOM 0 HB ILE B 721 25.784 20.585 11.019 1.00 1.00 H new ATOM 0 HG12 ILE B 721 25.630 21.956 13.742 1.00 1.00 H new ATOM 0 HG13 ILE B 721 24.850 22.593 12.308 1.00 1.00 H new ATOM 0 HG21 ILE B 721 26.136 19.151 12.996 1.00 1.00 H new ATOM 0 HG22 ILE B 721 27.642 19.377 12.076 1.00 1.00 H new ATOM 0 HG23 ILE B 721 27.380 20.277 13.588 1.00 1.00 H new ATOM 0 HD11 ILE B 721 23.277 21.185 13.609 1.00 1.00 H new ATOM 0 HD12 ILE B 721 23.603 20.454 12.020 1.00 1.00 H new ATOM 0 HD13 ILE B 721 24.395 19.807 13.476 1.00 1.00 H new ATOM 1304 N HIS B 722 28.994 21.925 13.211 1.00 1.00 N ATOM 1305 CA HIS B 722 29.750 22.435 14.358 1.00 1.00 C ATOM 1306 C HIS B 722 30.585 23.652 13.965 1.00 1.00 C ATOM 1307 O HIS B 722 30.733 24.599 14.747 1.00 1.00 O ATOM 1308 CB HIS B 722 30.649 21.353 14.962 1.00 1.00 C ATOM 1309 CG HIS B 722 29.819 20.396 15.769 1.00 1.00 C ATOM 1310 ND1 HIS B 722 29.055 19.394 15.189 1.00 1.00 N ATOM 1311 CD2 HIS B 722 29.623 20.278 17.119 1.00 1.00 C ATOM 1312 CE1 HIS B 722 28.439 18.726 16.182 1.00 1.00 C ATOM 1313 NE2 HIS B 722 28.754 19.223 17.381 1.00 1.00 N ATOM 0 H HIS B 722 29.287 21.009 12.871 1.00 1.00 H new ATOM 0 HA HIS B 722 29.026 22.737 15.114 1.00 1.00 H new ATOM 0 HB2 HIS B 722 31.172 20.817 14.170 1.00 1.00 H new ATOM 0 HB3 HIS B 722 31.411 21.810 15.593 1.00 1.00 H new ATOM 0 HD1 HIS B 722 28.975 19.199 14.191 1.00 1.00 H new ATOM 0 HD2 HIS B 722 30.076 20.910 17.869 1.00 1.00 H new ATOM 0 HE1 HIS B 722 27.772 17.891 16.028 1.00 1.00 H new ATOM 1321 N ASP B 723 31.153 23.616 12.761 1.00 1.00 N ATOM 1322 CA ASP B 723 31.980 24.737 12.306 1.00 1.00 C ATOM 1323 C ASP B 723 31.110 25.980 12.138 1.00 1.00 C ATOM 1324 O ASP B 723 31.527 27.094 12.452 1.00 1.00 O ATOM 1325 CB ASP B 723 32.683 24.425 10.979 1.00 1.00 C ATOM 1326 CG ASP B 723 33.918 23.553 11.218 1.00 1.00 C ATOM 1327 OD1 ASP B 723 34.424 23.533 12.334 1.00 1.00 O ATOM 1328 OD2 ASP B 723 34.342 22.913 10.271 1.00 1.00 O ATOM 0 H ASP B 723 31.062 22.847 12.097 1.00 1.00 H new ATOM 0 HA ASP B 723 32.747 24.912 13.060 1.00 1.00 H new ATOM 0 HB2 ASP B 723 31.994 23.913 10.307 1.00 1.00 H new ATOM 0 HB3 ASP B 723 32.976 25.353 10.489 1.00 1.00 H new