USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=5 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 78:sc= 0.576 USER MOD Single : A 987 MET CE :methyl 180:sc= 0 (180deg=0) 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 -18:sc= 0.428 USER MOD Single : B 701 MET CE :methyl 156:sc= -0.134 (180deg=-1.02) USER MOD Single : B 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 720 THR OG1 : rot 78:sc= 1.01 USER MOD Single : B 722 HIS : no HE2:sc= 0.56 K(o=0.56,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 34.362 -19.573 -1.309 1.00 1.00 N ATOM 137 CA ILE A 966 34.087 -18.405 -0.479 1.00 1.00 C ATOM 138 C ILE A 966 35.262 -17.430 -0.507 1.00 1.00 C ATOM 139 O ILE A 966 35.144 -16.281 -0.085 1.00 1.00 O ATOM 140 CB ILE A 966 33.803 -18.846 0.962 1.00 1.00 C ATOM 141 CG1 ILE A 966 34.999 -19.632 1.513 1.00 1.00 C ATOM 142 CG2 ILE A 966 32.559 -19.734 0.986 1.00 1.00 C ATOM 143 CD1 ILE A 966 34.779 -19.915 3.001 1.00 1.00 C ATOM 0 HA ILE A 966 33.211 -17.895 -0.879 1.00 1.00 H new ATOM 0 HB ILE A 966 33.637 -17.964 1.580 1.00 1.00 H new ATOM 0 HG12 ILE A 966 35.116 -20.568 0.967 1.00 1.00 H new ATOM 0 HG13 ILE A 966 35.918 -19.064 1.372 1.00 1.00 H new ATOM 0 HG21 ILE A 966 32.356 -20.048 2.010 1.00 1.00 H new ATOM 0 HG22 ILE A 966 31.706 -19.175 0.602 1.00 1.00 H new ATOM 0 HG23 ILE A 966 32.727 -20.613 0.363 1.00 1.00 H new ATOM 0 HD11 ILE A 966 35.628 -20.474 3.395 1.00 1.00 H new ATOM 0 HD12 ILE A 966 34.683 -18.973 3.540 1.00 1.00 H new ATOM 0 HD13 ILE A 966 33.869 -20.501 3.129 1.00 1.00 H new ATOM 155 N TRP A 967 36.402 -17.906 -0.987 1.00 1.00 N ATOM 156 CA TRP A 967 37.599 -17.077 -1.050 1.00 1.00 C ATOM 157 C TRP A 967 37.388 -15.847 -1.935 1.00 1.00 C ATOM 158 O TRP A 967 37.891 -14.767 -1.627 1.00 1.00 O ATOM 159 CB TRP A 967 38.770 -17.899 -1.594 1.00 1.00 C ATOM 160 CG TRP A 967 39.162 -18.933 -0.588 1.00 1.00 C ATOM 161 CD1 TRP A 967 38.860 -20.249 -0.668 1.00 1.00 C ATOM 162 CD2 TRP A 967 39.922 -18.762 0.643 1.00 1.00 C ATOM 163 NE1 TRP A 967 39.385 -20.897 0.436 1.00 1.00 N ATOM 164 CE2 TRP A 967 40.049 -20.023 1.273 1.00 1.00 C ATOM 165 CE3 TRP A 967 40.507 -17.647 1.269 1.00 1.00 C ATOM 166 CZ2 TRP A 967 40.732 -20.172 2.482 1.00 1.00 C ATOM 167 CZ3 TRP A 967 41.196 -17.792 2.485 1.00 1.00 C ATOM 168 CH2 TRP A 967 41.307 -19.052 3.089 1.00 1.00 C ATOM 0 H TRP A 967 36.524 -18.856 -1.337 1.00 1.00 H new ATOM 0 HA TRP A 967 37.819 -16.734 -0.039 1.00 1.00 H new ATOM 0 HB2 TRP A 967 38.488 -18.377 -2.532 1.00 1.00 H new ATOM 0 HB3 TRP A 967 39.616 -17.247 -1.810 1.00 1.00 H new ATOM 0 HD1 TRP A 967 38.300 -20.718 -1.464 1.00 1.00 H new ATOM 0 HE1 TRP A 967 39.293 -21.898 0.610 1.00 1.00 H new ATOM 0 HE3 TRP A 967 40.426 -16.672 0.812 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 40.815 -21.145 2.944 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 41.642 -16.929 2.956 1.00 1.00 H new ATOM 0 HH2 TRP A 967 41.837 -19.157 4.024 1.00 1.00 H new ATOM 179 N TRP A 968 36.668 -16.017 -3.043 1.00 1.00 N ATOM 180 CA TRP A 968 36.434 -14.904 -3.965 1.00 1.00 C ATOM 181 C TRP A 968 35.692 -13.750 -3.290 1.00 1.00 C ATOM 182 O TRP A 968 36.082 -12.590 -3.426 1.00 1.00 O ATOM 183 CB TRP A 968 35.623 -15.387 -5.169 1.00 1.00 C ATOM 184 CG TRP A 968 36.461 -16.303 -6.002 1.00 1.00 C ATOM 185 CD1 TRP A 968 36.320 -17.646 -6.059 1.00 1.00 C ATOM 186 CD2 TRP A 968 37.565 -15.969 -6.893 1.00 1.00 C ATOM 187 NE1 TRP A 968 37.266 -18.158 -6.928 1.00 1.00 N ATOM 188 CE2 TRP A 968 38.057 -17.165 -7.467 1.00 1.00 C ATOM 189 CE3 TRP A 968 38.180 -14.756 -7.254 1.00 1.00 C ATOM 190 CZ2 TRP A 968 39.122 -17.157 -8.369 1.00 1.00 C ATOM 191 CZ3 TRP A 968 39.253 -14.746 -8.161 1.00 1.00 C ATOM 192 CH2 TRP A 968 39.722 -15.945 -8.718 1.00 1.00 C ATOM 0 H TRP A 968 36.242 -16.901 -3.322 1.00 1.00 H new ATOM 0 HA TRP A 968 37.408 -14.538 -4.289 1.00 1.00 H new ATOM 0 HB2 TRP A 968 34.725 -15.905 -4.832 1.00 1.00 H new ATOM 0 HB3 TRP A 968 35.295 -14.535 -5.765 1.00 1.00 H new ATOM 0 HD1 TRP A 968 35.588 -18.225 -5.515 1.00 1.00 H new ATOM 0 HE1 TRP A 968 37.367 -19.150 -7.144 1.00 1.00 H new ATOM 0 HE3 TRP A 968 37.825 -13.828 -6.832 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 39.480 -18.083 -8.795 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 39.719 -13.810 -8.431 1.00 1.00 H new ATOM 0 HH2 TRP A 968 40.546 -15.931 -9.416 1.00 1.00 H new ATOM 203 N VAL A 969 34.626 -14.060 -2.564 1.00 1.00 N ATOM 204 CA VAL A 969 33.867 -13.016 -1.884 1.00 1.00 C ATOM 205 C VAL A 969 34.680 -12.401 -0.745 1.00 1.00 C ATOM 206 O VAL A 969 34.553 -11.213 -0.453 1.00 1.00 O ATOM 207 CB VAL A 969 32.524 -13.562 -1.370 1.00 1.00 C ATOM 208 CG1 VAL A 969 32.747 -14.704 -0.376 1.00 1.00 C ATOM 209 CG2 VAL A 969 31.754 -12.434 -0.677 1.00 1.00 C ATOM 0 H VAL A 969 34.271 -15.007 -2.431 1.00 1.00 H new ATOM 0 HA VAL A 969 33.656 -12.228 -2.607 1.00 1.00 H new ATOM 0 HB VAL A 969 31.954 -13.943 -2.218 1.00 1.00 H new ATOM 0 HG11 VAL A 969 31.784 -15.075 -0.026 1.00 1.00 H new ATOM 0 HG12 VAL A 969 33.290 -15.512 -0.866 1.00 1.00 H new ATOM 0 HG13 VAL A 969 33.326 -14.340 0.473 1.00 1.00 H new ATOM 0 HG21 VAL A 969 30.801 -12.816 -0.311 1.00 1.00 H new ATOM 0 HG22 VAL A 969 32.339 -12.055 0.161 1.00 1.00 H new ATOM 0 HG23 VAL A 969 31.573 -11.627 -1.387 1.00 1.00 H new ATOM 219 N LEU A 970 35.502 -13.222 -0.095 1.00 1.00 N ATOM 220 CA LEU A 970 36.314 -12.750 1.022 1.00 1.00 C ATOM 221 C LEU A 970 37.300 -11.669 0.577 1.00 1.00 C ATOM 222 O LEU A 970 37.461 -10.656 1.260 1.00 1.00 O ATOM 223 CB LEU A 970 37.080 -13.932 1.634 1.00 1.00 C ATOM 224 CG LEU A 970 37.964 -13.461 2.800 1.00 1.00 C ATOM 225 CD1 LEU A 970 37.106 -12.763 3.858 1.00 1.00 C ATOM 226 CD2 LEU A 970 38.650 -14.674 3.432 1.00 1.00 C ATOM 0 H LEU A 970 35.622 -14.209 -0.321 1.00 1.00 H new ATOM 0 HA LEU A 970 35.649 -12.313 1.767 1.00 1.00 H new ATOM 0 HB2 LEU A 970 36.375 -14.685 1.987 1.00 1.00 H new ATOM 0 HB3 LEU A 970 37.698 -14.406 0.871 1.00 1.00 H new ATOM 0 HG LEU A 970 38.711 -12.762 2.424 1.00 1.00 H new ATOM 0 HD11 LEU A 970 37.740 -12.432 4.681 1.00 1.00 H new ATOM 0 HD12 LEU A 970 36.610 -11.900 3.413 1.00 1.00 H new ATOM 0 HD13 LEU A 970 36.356 -13.458 4.235 1.00 1.00 H new ATOM 0 HD21 LEU A 970 39.279 -14.346 4.260 1.00 1.00 H new ATOM 0 HD22 LEU A 970 37.895 -15.367 3.802 1.00 1.00 H new ATOM 0 HD23 LEU A 970 39.266 -15.174 2.685 1.00 1.00 H new ATOM 238 N VAL A 971 37.957 -11.877 -0.561 1.00 1.00 N ATOM 239 CA VAL A 971 38.915 -10.890 -1.052 1.00 1.00 C ATOM 240 C VAL A 971 38.208 -9.589 -1.421 1.00 1.00 C ATOM 241 O VAL A 971 38.717 -8.501 -1.150 1.00 1.00 O ATOM 242 CB VAL A 971 39.716 -11.430 -2.246 1.00 1.00 C ATOM 243 CG1 VAL A 971 40.631 -12.558 -1.767 1.00 1.00 C ATOM 244 CG2 VAL A 971 38.776 -11.982 -3.316 1.00 1.00 C ATOM 0 H VAL A 971 37.848 -12.702 -1.150 1.00 1.00 H new ATOM 0 HA VAL A 971 39.620 -10.684 -0.247 1.00 1.00 H new ATOM 0 HB VAL A 971 40.303 -10.616 -2.671 1.00 1.00 H new ATOM 0 HG11 VAL A 971 41.203 -12.946 -2.610 1.00 1.00 H new ATOM 0 HG12 VAL A 971 41.315 -12.175 -1.010 1.00 1.00 H new ATOM 0 HG13 VAL A 971 40.028 -13.359 -1.339 1.00 1.00 H new ATOM 0 HG21 VAL A 971 39.361 -12.360 -4.154 1.00 1.00 H new ATOM 0 HG22 VAL A 971 38.180 -12.792 -2.894 1.00 1.00 H new ATOM 0 HG23 VAL A 971 38.115 -11.188 -3.664 1.00 1.00 H new ATOM 254 N GLY A 972 37.033 -9.701 -2.037 1.00 1.00 N ATOM 255 CA GLY A 972 36.278 -8.517 -2.429 1.00 1.00 C ATOM 256 C GLY A 972 35.893 -7.697 -1.202 1.00 1.00 C ATOM 257 O GLY A 972 35.954 -6.468 -1.220 1.00 1.00 O ATOM 0 H GLY A 972 36.589 -10.589 -2.272 1.00 1.00 H new ATOM 0 HA2 GLY A 972 36.874 -7.907 -3.109 1.00 1.00 H new ATOM 0 HA3 GLY A 972 35.380 -8.814 -2.971 1.00 1.00 H new ATOM 261 N VAL A 973 35.504 -8.386 -0.133 1.00 1.00 N ATOM 262 CA VAL A 973 35.121 -7.712 1.102 1.00 1.00 C ATOM 263 C VAL A 973 36.312 -6.957 1.683 1.00 1.00 C ATOM 264 O VAL A 973 36.187 -5.809 2.110 1.00 1.00 O ATOM 265 CB VAL A 973 34.613 -8.733 2.120 1.00 1.00 C ATOM 266 CG1 VAL A 973 34.398 -8.045 3.470 1.00 1.00 C ATOM 267 CG2 VAL A 973 33.288 -9.320 1.629 1.00 1.00 C ATOM 0 H VAL A 973 35.446 -9.404 -0.097 1.00 1.00 H new ATOM 0 HA VAL A 973 34.325 -7.001 0.878 1.00 1.00 H new ATOM 0 HB VAL A 973 35.346 -9.531 2.234 1.00 1.00 H new ATOM 0 HG11 VAL A 973 34.036 -8.773 4.196 1.00 1.00 H new ATOM 0 HG12 VAL A 973 35.341 -7.624 3.818 1.00 1.00 H new ATOM 0 HG13 VAL A 973 33.664 -7.247 3.359 1.00 1.00 H new ATOM 0 HG21 VAL A 973 32.923 -10.049 2.353 1.00 1.00 H new ATOM 0 HG22 VAL A 973 32.555 -8.521 1.517 1.00 1.00 H new ATOM 0 HG23 VAL A 973 33.441 -9.809 0.667 1.00 1.00 H new ATOM 277 N LEU A 974 37.466 -7.614 1.693 1.00 1.00 N ATOM 278 CA LEU A 974 38.680 -7.004 2.220 1.00 1.00 C ATOM 279 C LEU A 974 39.055 -5.772 1.400 1.00 1.00 C ATOM 280 O LEU A 974 39.456 -4.747 1.951 1.00 1.00 O ATOM 281 CB LEU A 974 39.826 -8.025 2.188 1.00 1.00 C ATOM 282 CG LEU A 974 41.122 -7.398 2.719 1.00 1.00 C ATOM 283 CD1 LEU A 974 40.908 -6.876 4.143 1.00 1.00 C ATOM 284 CD2 LEU A 974 42.223 -8.461 2.733 1.00 1.00 C ATOM 0 H LEU A 974 37.586 -8.565 1.344 1.00 1.00 H new ATOM 0 HA LEU A 974 38.502 -6.694 3.250 1.00 1.00 H new ATOM 0 HB2 LEU A 974 39.563 -8.894 2.790 1.00 1.00 H new ATOM 0 HB3 LEU A 974 39.978 -8.378 1.168 1.00 1.00 H new ATOM 0 HG LEU A 974 41.410 -6.568 2.074 1.00 1.00 H new ATOM 0 HD11 LEU A 974 41.833 -6.433 4.511 1.00 1.00 H new ATOM 0 HD12 LEU A 974 40.121 -6.122 4.140 1.00 1.00 H new ATOM 0 HD13 LEU A 974 40.617 -7.701 4.793 1.00 1.00 H new ATOM 0 HD21 LEU A 974 43.147 -8.023 3.109 1.00 1.00 H new ATOM 0 HD22 LEU A 974 41.924 -9.286 3.379 1.00 1.00 H new ATOM 0 HD23 LEU A 974 42.383 -8.832 1.721 1.00 1.00 H new ATOM 296 N GLY A 975 38.930 -5.880 0.081 1.00 1.00 N ATOM 297 CA GLY A 975 39.268 -4.769 -0.801 1.00 1.00 C ATOM 298 C GLY A 975 38.391 -3.552 -0.521 1.00 1.00 C ATOM 299 O GLY A 975 38.874 -2.420 -0.523 1.00 1.00 O ATOM 0 H GLY A 975 38.600 -6.718 -0.397 1.00 1.00 H new ATOM 0 HA2 GLY A 975 40.317 -4.503 -0.668 1.00 1.00 H new ATOM 0 HA3 GLY A 975 39.146 -5.076 -1.840 1.00 1.00 H new ATOM 303 N GLY A 976 37.104 -3.781 -0.277 1.00 1.00 N ATOM 304 CA GLY A 976 36.193 -2.677 0.006 1.00 1.00 C ATOM 305 C GLY A 976 36.606 -1.960 1.286 1.00 1.00 C ATOM 306 O GLY A 976 36.608 -0.731 1.352 1.00 1.00 O ATOM 0 H GLY A 976 36.673 -4.706 -0.269 1.00 1.00 H new ATOM 0 HA2 GLY A 976 36.193 -1.975 -0.828 1.00 1.00 H new ATOM 0 HA3 GLY A 976 35.175 -3.054 0.105 1.00 1.00 H new ATOM 310 N LEU A 977 36.971 -2.744 2.296 1.00 1.00 N ATOM 311 CA LEU A 977 37.407 -2.191 3.573 1.00 1.00 C ATOM 312 C LEU A 977 38.688 -1.385 3.385 1.00 1.00 C ATOM 313 O LEU A 977 38.861 -0.315 3.967 1.00 1.00 O ATOM 314 CB LEU A 977 37.654 -3.321 4.576 1.00 1.00 C ATOM 315 CG LEU A 977 36.318 -3.968 4.960 1.00 1.00 C ATOM 316 CD1 LEU A 977 36.583 -5.229 5.784 1.00 1.00 C ATOM 317 CD2 LEU A 977 35.468 -2.990 5.782 1.00 1.00 C ATOM 0 H LEU A 977 36.973 -3.763 2.255 1.00 1.00 H new ATOM 0 HA LEU A 977 36.625 -1.535 3.956 1.00 1.00 H new ATOM 0 HB2 LEU A 977 38.320 -4.067 4.142 1.00 1.00 H new ATOM 0 HB3 LEU A 977 38.149 -2.930 5.465 1.00 1.00 H new ATOM 0 HG LEU A 977 35.776 -4.227 4.050 1.00 1.00 H new ATOM 0 HD11 LEU A 977 35.634 -5.691 6.058 1.00 1.00 H new ATOM 0 HD12 LEU A 977 37.172 -5.932 5.194 1.00 1.00 H new ATOM 0 HD13 LEU A 977 37.132 -4.964 6.688 1.00 1.00 H new ATOM 0 HD21 LEU A 977 34.523 -3.464 6.047 1.00 1.00 H new ATOM 0 HD22 LEU A 977 36.004 -2.717 6.691 1.00 1.00 H new ATOM 0 HD23 LEU A 977 35.272 -2.094 5.193 1.00 1.00 H new ATOM 329 N LEU A 978 39.584 -1.923 2.567 1.00 1.00 N ATOM 330 CA LEU A 978 40.860 -1.275 2.295 1.00 1.00 C ATOM 331 C LEU A 978 40.646 0.078 1.621 1.00 1.00 C ATOM 332 O LEU A 978 41.333 1.049 1.934 1.00 1.00 O ATOM 333 CB LEU A 978 41.715 -2.177 1.393 1.00 1.00 C ATOM 334 CG LEU A 978 43.066 -1.513 1.091 1.00 1.00 C ATOM 335 CD1 LEU A 978 43.808 -1.215 2.395 1.00 1.00 C ATOM 336 CD2 LEU A 978 43.910 -2.459 0.236 1.00 1.00 C ATOM 0 H LEU A 978 39.450 -2.809 2.079 1.00 1.00 H new ATOM 0 HA LEU A 978 41.376 -1.111 3.241 1.00 1.00 H new ATOM 0 HB2 LEU A 978 41.877 -3.139 1.880 1.00 1.00 H new ATOM 0 HB3 LEU A 978 41.185 -2.376 0.462 1.00 1.00 H new ATOM 0 HG LEU A 978 42.895 -0.579 0.556 1.00 1.00 H new ATOM 0 HD11 LEU A 978 44.765 -0.744 2.170 1.00 1.00 H new ATOM 0 HD12 LEU A 978 43.209 -0.543 3.009 1.00 1.00 H new ATOM 0 HD13 LEU A 978 43.980 -2.145 2.937 1.00 1.00 H new ATOM 0 HD21 LEU A 978 44.871 -1.993 0.018 1.00 1.00 H new ATOM 0 HD22 LEU A 978 44.073 -3.391 0.777 1.00 1.00 H new ATOM 0 HD23 LEU A 978 43.388 -2.668 -0.698 1.00 1.00 H new ATOM 348 N LEU A 979 39.702 0.134 0.687 1.00 1.00 N ATOM 349 CA LEU A 979 39.431 1.377 -0.028 1.00 1.00 C ATOM 350 C LEU A 979 38.986 2.467 0.938 1.00 1.00 C ATOM 351 O LEU A 979 39.453 3.601 0.859 1.00 1.00 O ATOM 352 CB LEU A 979 38.325 1.133 -1.066 1.00 1.00 C ATOM 353 CG LEU A 979 37.988 2.436 -1.816 1.00 1.00 C ATOM 354 CD1 LEU A 979 37.255 2.094 -3.112 1.00 1.00 C ATOM 355 CD2 LEU A 979 37.087 3.355 -0.970 1.00 1.00 C ATOM 0 H LEU A 979 39.118 -0.655 0.410 1.00 1.00 H new ATOM 0 HA LEU A 979 40.345 1.703 -0.524 1.00 1.00 H new ATOM 0 HB2 LEU A 979 38.647 0.371 -1.776 1.00 1.00 H new ATOM 0 HB3 LEU A 979 37.432 0.751 -0.571 1.00 1.00 H new ATOM 0 HG LEU A 979 38.922 2.958 -2.023 1.00 1.00 H new ATOM 0 HD11 LEU A 979 37.014 3.013 -3.647 1.00 1.00 H new ATOM 0 HD12 LEU A 979 37.892 1.467 -3.736 1.00 1.00 H new ATOM 0 HD13 LEU A 979 36.335 1.558 -2.879 1.00 1.00 H new ATOM 0 HD21 LEU A 979 36.869 4.265 -1.529 1.00 1.00 H new ATOM 0 HD22 LEU A 979 36.155 2.839 -0.739 1.00 1.00 H new ATOM 0 HD23 LEU A 979 37.599 3.613 -0.043 1.00 1.00 H new ATOM 367 N LEU A 980 38.091 2.123 1.853 1.00 1.00 N ATOM 368 CA LEU A 980 37.606 3.097 2.822 1.00 1.00 C ATOM 369 C LEU A 980 38.755 3.574 3.708 1.00 1.00 C ATOM 370 O LEU A 980 38.872 4.761 4.013 1.00 1.00 O ATOM 371 CB LEU A 980 36.504 2.470 3.686 1.00 1.00 C ATOM 372 CG LEU A 980 35.936 3.507 4.664 1.00 1.00 C ATOM 373 CD1 LEU A 980 35.319 4.675 3.890 1.00 1.00 C ATOM 374 CD2 LEU A 980 34.856 2.849 5.527 1.00 1.00 C ATOM 0 H LEU A 980 37.690 1.190 1.945 1.00 1.00 H new ATOM 0 HA LEU A 980 37.195 3.953 2.287 1.00 1.00 H new ATOM 0 HB2 LEU A 980 35.707 2.087 3.049 1.00 1.00 H new ATOM 0 HB3 LEU A 980 36.906 1.621 4.239 1.00 1.00 H new ATOM 0 HG LEU A 980 36.741 3.881 5.296 1.00 1.00 H new ATOM 0 HD11 LEU A 980 34.918 5.406 4.592 1.00 1.00 H new ATOM 0 HD12 LEU A 980 36.083 5.146 3.272 1.00 1.00 H new ATOM 0 HD13 LEU A 980 34.515 4.305 3.253 1.00 1.00 H new ATOM 0 HD21 LEU A 980 34.450 3.583 6.223 1.00 1.00 H new ATOM 0 HD22 LEU A 980 34.057 2.475 4.887 1.00 1.00 H new ATOM 0 HD23 LEU A 980 35.291 2.021 6.086 1.00 1.00 H new ATOM 386 N THR A 981 39.589 2.629 4.124 1.00 1.00 N ATOM 387 CA THR A 981 40.726 2.927 4.989 1.00 1.00 C ATOM 388 C THR A 981 41.732 3.867 4.323 1.00 1.00 C ATOM 389 O THR A 981 42.232 4.795 4.958 1.00 1.00 O ATOM 390 CB THR A 981 41.430 1.626 5.377 1.00 1.00 C ATOM 391 OG1 THR A 981 40.534 0.808 6.116 1.00 1.00 O ATOM 392 CG2 THR A 981 42.658 1.942 6.232 1.00 1.00 C ATOM 0 H THR A 981 39.499 1.644 3.875 1.00 1.00 H new ATOM 0 HA THR A 981 40.338 3.431 5.875 1.00 1.00 H new ATOM 0 HB THR A 981 41.745 1.100 4.476 1.00 1.00 H new ATOM 0 HG1 THR A 981 39.909 0.369 5.502 1.00 1.00 H new ATOM 0 HG21 THR A 981 43.158 1.014 6.507 1.00 1.00 H new ATOM 0 HG22 THR A 981 43.345 2.570 5.664 1.00 1.00 H new ATOM 0 HG23 THR A 981 42.347 2.468 7.135 1.00 1.00 H new ATOM 400 N ILE A 982 42.056 3.609 3.057 1.00 1.00 N ATOM 401 CA ILE A 982 43.042 4.434 2.355 1.00 1.00 C ATOM 402 C ILE A 982 42.575 5.881 2.217 1.00 1.00 C ATOM 403 O ILE A 982 43.351 6.807 2.457 1.00 1.00 O ATOM 404 CB ILE A 982 43.309 3.852 0.966 1.00 1.00 C ATOM 405 CG1 ILE A 982 44.037 2.512 1.106 1.00 1.00 C ATOM 406 CG2 ILE A 982 44.181 4.822 0.165 1.00 1.00 C ATOM 407 CD1 ILE A 982 44.054 1.793 -0.246 1.00 1.00 C ATOM 0 H ILE A 982 41.659 2.850 2.503 1.00 1.00 H new ATOM 0 HA ILE A 982 43.958 4.429 2.946 1.00 1.00 H new ATOM 0 HB ILE A 982 42.362 3.701 0.448 1.00 1.00 H new ATOM 0 HG12 ILE A 982 45.057 2.675 1.455 1.00 1.00 H new ATOM 0 HG13 ILE A 982 43.540 1.893 1.852 1.00 1.00 H new ATOM 0 HG21 ILE A 982 44.371 4.407 -0.825 1.00 1.00 H new ATOM 0 HG22 ILE A 982 43.666 5.777 0.065 1.00 1.00 H new ATOM 0 HG23 ILE A 982 45.128 4.973 0.683 1.00 1.00 H new ATOM 0 HD11 ILE A 982 44.572 0.840 -0.145 1.00 1.00 H new ATOM 0 HD12 ILE A 982 43.031 1.616 -0.577 1.00 1.00 H new ATOM 0 HD13 ILE A 982 44.571 2.411 -0.980 1.00 1.00 H new ATOM 419 N LEU A 983 41.316 6.082 1.844 1.00 1.00 N ATOM 420 CA LEU A 983 40.793 7.439 1.703 1.00 1.00 C ATOM 421 C LEU A 983 40.812 8.158 3.046 1.00 1.00 C ATOM 422 O LEU A 983 41.170 9.332 3.127 1.00 1.00 O ATOM 423 CB LEU A 983 39.361 7.415 1.147 1.00 1.00 C ATOM 424 CG LEU A 983 39.361 7.311 -0.393 1.00 1.00 C ATOM 425 CD1 LEU A 983 39.693 8.673 -1.012 1.00 1.00 C ATOM 426 CD2 LEU A 983 40.386 6.276 -0.875 1.00 1.00 C ATOM 0 H LEU A 983 40.648 5.339 1.637 1.00 1.00 H new ATOM 0 HA LEU A 983 41.432 7.976 1.002 1.00 1.00 H new ATOM 0 HB2 LEU A 983 38.818 6.570 1.571 1.00 1.00 H new ATOM 0 HB3 LEU A 983 38.834 8.319 1.453 1.00 1.00 H new ATOM 0 HG LEU A 983 38.366 6.994 -0.707 1.00 1.00 H new ATOM 0 HD11 LEU A 983 39.691 8.589 -2.099 1.00 1.00 H new ATOM 0 HD12 LEU A 983 38.947 9.405 -0.703 1.00 1.00 H new ATOM 0 HD13 LEU A 983 40.678 8.995 -0.675 1.00 1.00 H new ATOM 0 HD21 LEU A 983 40.365 6.223 -1.964 1.00 1.00 H new ATOM 0 HD22 LEU A 983 41.382 6.570 -0.545 1.00 1.00 H new ATOM 0 HD23 LEU A 983 40.140 5.299 -0.459 1.00 1.00 H new ATOM 438 N VAL A 984 40.429 7.444 4.099 1.00 1.00 N ATOM 439 CA VAL A 984 40.407 8.022 5.436 1.00 1.00 C ATOM 440 C VAL A 984 41.814 8.405 5.887 1.00 1.00 C ATOM 441 O VAL A 984 42.025 9.479 6.449 1.00 1.00 O ATOM 442 CB VAL A 984 39.810 7.021 6.425 1.00 1.00 C ATOM 443 CG1 VAL A 984 39.977 7.548 7.851 1.00 1.00 C ATOM 444 CG2 VAL A 984 38.321 6.833 6.123 1.00 1.00 C ATOM 0 H VAL A 984 40.131 6.470 4.053 1.00 1.00 H new ATOM 0 HA VAL A 984 39.793 8.922 5.408 1.00 1.00 H new ATOM 0 HB VAL A 984 40.325 6.065 6.329 1.00 1.00 H new ATOM 0 HG11 VAL A 984 39.551 6.833 8.555 1.00 1.00 H new ATOM 0 HG12 VAL A 984 41.037 7.683 8.067 1.00 1.00 H new ATOM 0 HG13 VAL A 984 39.462 8.504 7.948 1.00 1.00 H new ATOM 0 HG21 VAL A 984 37.894 6.119 6.828 1.00 1.00 H new ATOM 0 HG22 VAL A 984 37.807 7.789 6.219 1.00 1.00 H new ATOM 0 HG23 VAL A 984 38.200 6.456 5.107 1.00 1.00 H new ATOM 454 N LEU A 985 42.768 7.513 5.649 1.00 1.00 N ATOM 455 CA LEU A 985 44.149 7.759 6.050 1.00 1.00 C ATOM 456 C LEU A 985 44.729 8.979 5.337 1.00 1.00 C ATOM 457 O LEU A 985 45.409 9.798 5.957 1.00 1.00 O ATOM 458 CB LEU A 985 45.000 6.519 5.736 1.00 1.00 C ATOM 459 CG LEU A 985 46.469 6.757 6.115 1.00 1.00 C ATOM 460 CD1 LEU A 985 46.577 7.135 7.593 1.00 1.00 C ATOM 461 CD2 LEU A 985 47.264 5.473 5.864 1.00 1.00 C ATOM 0 H LEU A 985 42.613 6.619 5.184 1.00 1.00 H new ATOM 0 HA LEU A 985 44.164 7.959 7.121 1.00 1.00 H new ATOM 0 HB2 LEU A 985 44.613 5.659 6.283 1.00 1.00 H new ATOM 0 HB3 LEU A 985 44.927 6.281 4.675 1.00 1.00 H new ATOM 0 HG LEU A 985 46.869 7.571 5.510 1.00 1.00 H new ATOM 0 HD11 LEU A 985 47.623 7.301 7.851 1.00 1.00 H new ATOM 0 HD12 LEU A 985 46.008 8.046 7.778 1.00 1.00 H new ATOM 0 HD13 LEU A 985 46.177 6.327 8.205 1.00 1.00 H new ATOM 0 HD21 LEU A 985 48.309 5.634 6.131 1.00 1.00 H new ATOM 0 HD22 LEU A 985 46.854 4.667 6.472 1.00 1.00 H new ATOM 0 HD23 LEU A 985 47.196 5.203 4.810 1.00 1.00 H new ATOM 473 N ALA A 986 44.474 9.099 4.039 1.00 1.00 N ATOM 474 CA ALA A 986 45.002 10.230 3.282 1.00 1.00 C ATOM 475 C ALA A 986 44.415 11.547 3.782 1.00 1.00 C ATOM 476 O ALA A 986 45.130 12.542 3.924 1.00 1.00 O ATOM 477 CB ALA A 986 44.677 10.058 1.797 1.00 1.00 C ATOM 0 H ALA A 986 43.915 8.441 3.496 1.00 1.00 H new ATOM 0 HA ALA A 986 46.083 10.257 3.422 1.00 1.00 H new ATOM 0 HB1 ALA A 986 45.074 10.905 1.237 1.00 1.00 H new ATOM 0 HB2 ALA A 986 45.129 9.137 1.430 1.00 1.00 H new ATOM 0 HB3 ALA A 986 43.596 10.009 1.664 1.00 1.00 H new ATOM 483 N MET A 987 43.115 11.551 4.053 1.00 1.00 N ATOM 484 CA MET A 987 42.453 12.754 4.540 1.00 1.00 C ATOM 485 C MET A 987 42.971 13.126 5.927 1.00 1.00 C ATOM 486 O MET A 987 43.204 14.299 6.223 1.00 1.00 O ATOM 487 CB MET A 987 40.941 12.526 4.574 1.00 1.00 C ATOM 488 CG MET A 987 40.424 12.420 3.136 1.00 1.00 C ATOM 489 SD MET A 987 38.640 12.116 3.145 1.00 1.00 S ATOM 490 CE MET A 987 38.463 11.753 1.381 1.00 1.00 C ATOM 0 H MET A 987 42.503 10.742 3.945 1.00 1.00 H new ATOM 0 HA MET A 987 42.673 13.581 3.865 1.00 1.00 H new ATOM 0 HB2 MET A 987 40.709 11.615 5.126 1.00 1.00 H new ATOM 0 HB3 MET A 987 40.447 13.348 5.093 1.00 1.00 H new ATOM 0 HG2 MET A 987 40.642 13.339 2.593 1.00 1.00 H new ATOM 0 HG3 MET A 987 40.937 11.612 2.614 1.00 1.00 H new ATOM 0 HE1 MET A 987 37.419 11.532 1.158 1.00 1.00 H new ATOM 0 HE2 MET A 987 38.784 12.616 0.798 1.00 1.00 H new ATOM 0 HE3 MET A 987 39.079 10.892 1.123 1.00 1.00 H new ATOM 500 N TRP A 988 43.169 12.112 6.764 1.00 1.00 N ATOM 501 CA TRP A 988 43.682 12.328 8.113 1.00 1.00 C ATOM 502 C TRP A 988 45.078 12.941 8.045 1.00 1.00 C ATOM 503 O TRP A 988 45.432 13.818 8.832 1.00 1.00 O ATOM 504 CB TRP A 988 43.731 10.997 8.873 1.00 1.00 C ATOM 505 CG TRP A 988 44.519 11.151 10.140 1.00 1.00 C ATOM 506 CD1 TRP A 988 44.604 12.282 10.881 1.00 1.00 C ATOM 507 CD2 TRP A 988 45.334 10.155 10.825 1.00 1.00 C ATOM 508 NE1 TRP A 988 45.420 12.042 11.971 1.00 1.00 N ATOM 509 CE2 TRP A 988 45.895 10.747 11.981 1.00 1.00 C ATOM 510 CE3 TRP A 988 45.638 8.808 10.555 1.00 1.00 C ATOM 511 CZ2 TRP A 988 46.729 10.028 12.840 1.00 1.00 C ATOM 512 CZ3 TRP A 988 46.477 8.082 11.418 1.00 1.00 C ATOM 513 CH2 TRP A 988 47.021 8.692 12.557 1.00 1.00 C ATOM 0 H TRP A 988 42.983 11.136 6.533 1.00 1.00 H new ATOM 0 HA TRP A 988 43.018 13.013 8.641 1.00 1.00 H new ATOM 0 HB2 TRP A 988 42.719 10.665 9.104 1.00 1.00 H new ATOM 0 HB3 TRP A 988 44.184 10.229 8.246 1.00 1.00 H new ATOM 0 HD1 TRP A 988 44.114 13.218 10.657 1.00 1.00 H new ATOM 0 HE1 TRP A 988 45.644 12.738 12.682 1.00 1.00 H new ATOM 0 HE3 TRP A 988 45.224 8.329 9.680 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 47.145 10.502 13.717 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 46.704 7.048 11.202 1.00 1.00 H new ATOM 0 HH2 TRP A 988 47.666 8.129 13.215 1.00 1.00 H new ATOM 524 N LYS A 989 45.867 12.460 7.092 1.00 1.00 N ATOM 525 CA LYS A 989 47.233 12.937 6.906 1.00 1.00 C ATOM 526 C LYS A 989 47.244 14.431 6.585 1.00 1.00 C ATOM 527 O LYS A 989 48.155 15.152 6.991 1.00 1.00 O ATOM 528 CB LYS A 989 47.895 12.166 5.750 1.00 1.00 C ATOM 529 CG LYS A 989 48.963 11.174 6.267 1.00 1.00 C ATOM 530 CD LYS A 989 50.359 11.828 6.323 1.00 1.00 C ATOM 531 CE LYS A 989 50.478 12.739 7.548 1.00 1.00 C ATOM 532 NZ LYS A 989 51.904 13.130 7.735 1.00 1.00 N ATOM 0 H LYS A 989 45.583 11.736 6.432 1.00 1.00 H new ATOM 0 HA LYS A 989 47.786 12.771 7.830 1.00 1.00 H new ATOM 0 HB2 LYS A 989 47.133 11.623 5.191 1.00 1.00 H new ATOM 0 HB3 LYS A 989 48.356 12.871 5.059 1.00 1.00 H new ATOM 0 HG2 LYS A 989 48.684 10.822 7.260 1.00 1.00 H new ATOM 0 HG3 LYS A 989 48.995 10.300 5.617 1.00 1.00 H new ATOM 0 HD2 LYS A 989 51.127 11.056 6.361 1.00 1.00 H new ATOM 0 HD3 LYS A 989 50.533 12.406 5.415 1.00 1.00 H new ATOM 0 HE2 LYS A 989 49.860 13.627 7.416 1.00 1.00 H new ATOM 0 HE3 LYS A 989 50.111 12.224 8.436 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 51.988 13.749 8.567 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 52.482 12.277 7.878 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 52.239 13.637 6.891 1.00 1.00 H new ATOM 546 N VAL A 990 46.243 14.893 5.842 1.00 1.00 N ATOM 547 CA VAL A 990 46.184 16.303 5.468 1.00 1.00 C ATOM 548 C VAL A 990 45.491 17.131 6.549 1.00 1.00 C ATOM 549 O VAL A 990 45.431 18.357 6.457 1.00 1.00 O ATOM 550 CB VAL A 990 45.432 16.456 4.143 1.00 1.00 C ATOM 551 CG1 VAL A 990 45.430 17.926 3.719 1.00 1.00 C ATOM 552 CG2 VAL A 990 46.124 15.618 3.066 1.00 1.00 C ATOM 0 H VAL A 990 45.473 14.323 5.491 1.00 1.00 H new ATOM 0 HA VAL A 990 47.205 16.669 5.357 1.00 1.00 H new ATOM 0 HB VAL A 990 44.405 16.114 4.269 1.00 1.00 H new ATOM 0 HG11 VAL A 990 44.894 18.032 2.776 1.00 1.00 H new ATOM 0 HG12 VAL A 990 44.938 18.525 4.485 1.00 1.00 H new ATOM 0 HG13 VAL A 990 46.457 18.270 3.594 1.00 1.00 H new ATOM 0 HG21 VAL A 990 45.590 15.726 2.122 1.00 1.00 H new ATOM 0 HG22 VAL A 990 47.151 15.961 2.943 1.00 1.00 H new ATOM 0 HG23 VAL A 990 46.124 14.570 3.365 1.00 1.00 H new ATOM 562 N GLY A 991 44.985 16.460 7.579 1.00 1.00 N ATOM 563 CA GLY A 991 44.318 17.152 8.677 1.00 1.00 C ATOM 564 C GLY A 991 42.879 17.503 8.319 1.00 1.00 C ATOM 565 O GLY A 991 42.199 18.208 9.061 1.00 1.00 O ATOM 0 H GLY A 991 45.023 15.445 7.677 1.00 1.00 H new ATOM 0 HA2 GLY A 991 44.330 16.523 9.567 1.00 1.00 H new ATOM 0 HA3 GLY A 991 44.866 18.062 8.922 1.00 1.00 H new ATOM 569 N PHE A 992 42.421 17.008 7.181 1.00 1.00 N ATOM 570 CA PHE A 992 41.059 17.274 6.741 1.00 1.00 C ATOM 571 C PHE A 992 40.052 16.705 7.735 1.00 1.00 C ATOM 572 O PHE A 992 39.033 17.330 8.032 1.00 1.00 O ATOM 573 CB PHE A 992 40.835 16.671 5.350 1.00 1.00 C ATOM 574 CG PHE A 992 39.398 16.839 4.872 1.00 1.00 C ATOM 575 CD1 PHE A 992 38.608 17.949 5.237 1.00 1.00 C ATOM 576 CD2 PHE A 992 38.856 15.855 4.035 1.00 1.00 C ATOM 577 CE1 PHE A 992 37.297 18.058 4.763 1.00 1.00 C ATOM 578 CE2 PHE A 992 37.546 15.970 3.567 1.00 1.00 C ATOM 579 CZ PHE A 992 36.768 17.070 3.930 1.00 1.00 C ATOM 0 H PHE A 992 42.967 16.424 6.548 1.00 1.00 H new ATOM 0 HA PHE A 992 40.912 18.353 6.688 1.00 1.00 H new ATOM 0 HB2 PHE A 992 41.510 17.145 4.638 1.00 1.00 H new ATOM 0 HB3 PHE A 992 41.087 15.611 5.371 1.00 1.00 H new ATOM 0 HD1 PHE A 992 39.015 18.714 5.882 1.00 1.00 H new ATOM 0 HD2 PHE A 992 39.455 15.003 3.750 1.00 1.00 H new ATOM 0 HE1 PHE A 992 36.692 18.908 5.042 1.00 1.00 H new ATOM 0 HE2 PHE A 992 37.134 15.207 2.923 1.00 1.00 H new ATOM 0 HZ PHE A 992 35.755 17.157 3.566 1.00 1.00 H new ATOM 589 N PHE A 993 40.337 15.503 8.222 1.00 1.00 N ATOM 590 CA PHE A 993 39.443 14.829 9.160 1.00 1.00 C ATOM 591 C PHE A 993 39.741 15.224 10.604 1.00 1.00 C ATOM 592 O PHE A 993 39.014 14.835 11.518 1.00 1.00 O ATOM 593 CB PHE A 993 39.598 13.316 9.001 1.00 1.00 C ATOM 594 CG PHE A 993 38.736 12.799 7.864 1.00 1.00 C ATOM 595 CD1 PHE A 993 38.415 13.609 6.757 1.00 1.00 C ATOM 596 CD2 PHE A 993 38.249 11.489 7.926 1.00 1.00 C ATOM 597 CE1 PHE A 993 37.612 13.100 5.730 1.00 1.00 C ATOM 598 CE2 PHE A 993 37.447 10.985 6.897 1.00 1.00 C ATOM 599 CZ PHE A 993 37.128 11.791 5.801 1.00 1.00 C ATOM 0 H PHE A 993 41.177 14.975 7.985 1.00 1.00 H new ATOM 0 HA PHE A 993 38.420 15.132 8.935 1.00 1.00 H new ATOM 0 HB2 PHE A 993 40.643 13.072 8.810 1.00 1.00 H new ATOM 0 HB3 PHE A 993 39.319 12.818 9.930 1.00 1.00 H new ATOM 0 HD1 PHE A 993 38.788 14.621 6.701 1.00 1.00 H new ATOM 0 HD2 PHE A 993 38.493 10.864 8.772 1.00 1.00 H new ATOM 0 HE1 PHE A 993 37.366 13.720 4.881 1.00 1.00 H new ATOM 0 HE2 PHE A 993 37.074 9.973 6.949 1.00 1.00 H new ATOM 0 HZ PHE A 993 36.507 11.402 5.008 1.00 1.00 H new ATOM 609 N LYS A 994 40.795 16.010 10.805 1.00 1.00 N ATOM 610 CA LYS A 994 41.151 16.462 12.149 1.00 1.00 C ATOM 611 C LYS A 994 41.282 17.981 12.157 1.00 1.00 C ATOM 612 O LYS A 994 42.033 18.550 11.369 1.00 1.00 O ATOM 613 CB LYS A 994 42.487 15.839 12.584 1.00 1.00 C ATOM 614 CG LYS A 994 42.424 14.297 12.593 1.00 1.00 C ATOM 615 CD LYS A 994 41.460 13.772 13.670 1.00 1.00 C ATOM 616 CE LYS A 994 41.469 12.241 13.651 1.00 1.00 C ATOM 617 NZ LYS A 994 40.553 11.728 14.709 1.00 1.00 N ATOM 0 H LYS A 994 41.412 16.345 10.065 1.00 1.00 H new ATOM 0 HA LYS A 994 40.369 16.152 12.842 1.00 1.00 H new ATOM 0 HB2 LYS A 994 43.278 16.167 11.909 1.00 1.00 H new ATOM 0 HB3 LYS A 994 42.749 16.198 13.579 1.00 1.00 H new ATOM 0 HG2 LYS A 994 42.104 13.940 11.614 1.00 1.00 H new ATOM 0 HG3 LYS A 994 43.421 13.893 12.769 1.00 1.00 H new ATOM 0 HD2 LYS A 994 41.760 14.137 14.652 1.00 1.00 H new ATOM 0 HD3 LYS A 994 40.452 14.144 13.485 1.00 1.00 H new ATOM 0 HE2 LYS A 994 41.154 11.876 12.673 1.00 1.00 H new ATOM 0 HE3 LYS A 994 42.480 11.870 13.819 1.00 1.00 H new ATOM 0 HZ1 LYS A 994 40.558 10.688 14.698 1.00 1.00 H new ATOM 0 HZ2 LYS A 994 40.873 12.066 15.639 1.00 1.00 H new ATOM 0 HZ3 LYS A 994 39.588 12.072 14.529 1.00 1.00 H new ATOM 631 N ARG A 995 40.556 18.634 13.057 1.00 1.00 N ATOM 632 CA ARG A 995 40.612 20.081 13.153 1.00 1.00 C ATOM 633 C ARG A 995 40.582 20.484 14.614 1.00 1.00 C ATOM 634 O ARG A 995 39.914 19.839 15.422 1.00 1.00 O ATOM 635 CB ARG A 995 39.429 20.701 12.406 1.00 1.00 C ATOM 636 CG ARG A 995 39.554 22.224 12.424 1.00 1.00 C ATOM 637 CD ARG A 995 38.426 22.842 11.599 1.00 1.00 C ATOM 638 NE ARG A 995 37.134 22.573 12.218 1.00 1.00 N ATOM 639 CZ ARG A 995 36.003 22.917 11.613 1.00 1.00 C ATOM 640 NH1 ARG A 995 36.041 23.485 10.439 1.00 1.00 N ATOM 641 NH2 ARG A 995 34.855 22.683 12.187 1.00 1.00 N ATOM 0 H ARG A 995 39.928 18.186 13.724 1.00 1.00 H new ATOM 0 HA ARG A 995 41.534 20.443 12.699 1.00 1.00 H new ATOM 0 HB2 ARG A 995 39.405 20.340 11.378 1.00 1.00 H new ATOM 0 HB3 ARG A 995 38.492 20.397 12.872 1.00 1.00 H new ATOM 0 HG2 ARG A 995 39.510 22.590 13.450 1.00 1.00 H new ATOM 0 HG3 ARG A 995 40.520 22.524 12.019 1.00 1.00 H new ATOM 0 HD2 ARG A 995 38.578 23.918 11.513 1.00 1.00 H new ATOM 0 HD3 ARG A 995 38.443 22.436 10.588 1.00 1.00 H new ATOM 0 HE ARG A 995 37.098 22.114 13.128 1.00 1.00 H new ATOM 0 HH11 ARG A 995 36.938 23.664 9.988 1.00 1.00 H new ATOM 0 HH12 ARG A 995 35.174 23.750 9.972 1.00 1.00 H new ATOM 0 HH21 ARG A 995 34.825 22.235 13.103 1.00 1.00 H new ATOM 0 HH22 ARG A 995 33.988 22.948 11.720 1.00 1.00 H new ATOM 808 N ASP B 692 24.722 -15.674 -10.280 1.00 1.00 N ATOM 809 CA ASP B 692 26.038 -16.216 -10.580 1.00 1.00 C ATOM 810 C ASP B 692 27.068 -15.683 -9.593 1.00 1.00 C ATOM 811 O ASP B 692 26.794 -14.752 -8.836 1.00 1.00 O ATOM 812 CB ASP B 692 26.446 -15.836 -12.005 1.00 1.00 C ATOM 813 CG ASP B 692 25.614 -16.623 -13.012 1.00 1.00 C ATOM 814 OD1 ASP B 692 24.986 -17.588 -12.608 1.00 1.00 O ATOM 815 OD2 ASP B 692 25.618 -16.249 -14.174 1.00 1.00 O ATOM 0 HA ASP B 692 25.995 -17.302 -10.494 1.00 1.00 H new ATOM 0 HB2 ASP B 692 26.304 -14.766 -12.160 1.00 1.00 H new ATOM 0 HB3 ASP B 692 27.506 -16.042 -12.156 1.00 1.00 H new ATOM 820 N ILE B 693 28.252 -16.276 -9.612 1.00 1.00 N ATOM 821 CA ILE B 693 29.321 -15.853 -8.721 1.00 1.00 C ATOM 822 C ILE B 693 29.757 -14.434 -9.066 1.00 1.00 C ATOM 823 O ILE B 693 30.054 -13.630 -8.182 1.00 1.00 O ATOM 824 CB ILE B 693 30.515 -16.803 -8.843 1.00 1.00 C ATOM 825 CG1 ILE B 693 31.527 -16.504 -7.734 1.00 1.00 C ATOM 826 CG2 ILE B 693 31.183 -16.611 -10.205 1.00 1.00 C ATOM 827 CD1 ILE B 693 32.570 -17.623 -7.680 1.00 1.00 C ATOM 0 H ILE B 693 28.496 -17.048 -10.232 1.00 1.00 H new ATOM 0 HA ILE B 693 28.951 -15.875 -7.696 1.00 1.00 H new ATOM 0 HB ILE B 693 30.168 -17.832 -8.748 1.00 1.00 H new ATOM 0 HG12 ILE B 693 32.014 -15.547 -7.920 1.00 1.00 H new ATOM 0 HG13 ILE B 693 31.017 -16.421 -6.774 1.00 1.00 H new ATOM 0 HG21 ILE B 693 32.033 -17.287 -10.292 1.00 1.00 H new ATOM 0 HG22 ILE B 693 30.465 -16.827 -10.996 1.00 1.00 H new ATOM 0 HG23 ILE B 693 31.528 -15.581 -10.299 1.00 1.00 H new ATOM 0 HD11 ILE B 693 33.291 -17.411 -6.891 1.00 1.00 H new ATOM 0 HD12 ILE B 693 32.075 -18.572 -7.474 1.00 1.00 H new ATOM 0 HD13 ILE B 693 33.088 -17.684 -8.637 1.00 1.00 H new ATOM 839 N LEU B 694 29.798 -14.137 -10.361 1.00 1.00 N ATOM 840 CA LEU B 694 30.204 -12.814 -10.820 1.00 1.00 C ATOM 841 C LEU B 694 29.231 -11.755 -10.312 1.00 1.00 C ATOM 842 O LEU B 694 29.639 -10.688 -9.862 1.00 1.00 O ATOM 843 CB LEU B 694 30.248 -12.789 -12.355 1.00 1.00 C ATOM 844 CG LEU B 694 30.658 -11.399 -12.862 1.00 1.00 C ATOM 845 CD1 LEU B 694 32.022 -11.016 -12.285 1.00 1.00 C ATOM 846 CD2 LEU B 694 30.746 -11.425 -14.389 1.00 1.00 C ATOM 0 H LEU B 694 29.557 -14.790 -11.107 1.00 1.00 H new ATOM 0 HA LEU B 694 31.197 -12.594 -10.427 1.00 1.00 H new ATOM 0 HB2 LEU B 694 30.954 -13.537 -12.716 1.00 1.00 H new ATOM 0 HB3 LEU B 694 29.270 -13.054 -12.756 1.00 1.00 H new ATOM 0 HG LEU B 694 29.915 -10.667 -12.545 1.00 1.00 H new ATOM 0 HD11 LEU B 694 32.307 -10.029 -12.649 1.00 1.00 H new ATOM 0 HD12 LEU B 694 31.965 -10.999 -11.197 1.00 1.00 H new ATOM 0 HD13 LEU B 694 32.768 -11.747 -12.598 1.00 1.00 H new ATOM 0 HD21 LEU B 694 31.037 -10.440 -14.754 1.00 1.00 H new ATOM 0 HD22 LEU B 694 31.489 -12.160 -14.698 1.00 1.00 H new ATOM 0 HD23 LEU B 694 29.775 -11.694 -14.805 1.00 1.00 H new ATOM 858 N VAL B 695 27.943 -12.061 -10.384 1.00 1.00 N ATOM 859 CA VAL B 695 26.919 -11.129 -9.927 1.00 1.00 C ATOM 860 C VAL B 695 27.048 -10.882 -8.426 1.00 1.00 C ATOM 861 O VAL B 695 26.946 -9.746 -7.960 1.00 1.00 O ATOM 862 CB VAL B 695 25.529 -11.687 -10.234 1.00 1.00 C ATOM 863 CG1 VAL B 695 24.467 -10.805 -9.577 1.00 1.00 C ATOM 864 CG2 VAL B 695 25.311 -11.704 -11.749 1.00 1.00 C ATOM 0 H VAL B 695 27.583 -12.941 -10.752 1.00 1.00 H new ATOM 0 HA VAL B 695 27.056 -10.184 -10.453 1.00 1.00 H new ATOM 0 HB VAL B 695 25.450 -12.701 -9.843 1.00 1.00 H new ATOM 0 HG11 VAL B 695 23.476 -11.204 -9.796 1.00 1.00 H new ATOM 0 HG12 VAL B 695 24.622 -10.791 -8.498 1.00 1.00 H new ATOM 0 HG13 VAL B 695 24.544 -9.790 -9.967 1.00 1.00 H new ATOM 0 HG21 VAL B 695 24.320 -12.102 -11.970 1.00 1.00 H new ATOM 0 HG22 VAL B 695 25.390 -10.689 -12.139 1.00 1.00 H new ATOM 0 HG23 VAL B 695 26.067 -12.333 -12.218 1.00 1.00 H new ATOM 874 N VAL B 696 27.257 -11.954 -7.674 1.00 1.00 N ATOM 875 CA VAL B 696 27.378 -11.848 -6.226 1.00 1.00 C ATOM 876 C VAL B 696 28.572 -10.983 -5.823 1.00 1.00 C ATOM 877 O VAL B 696 28.451 -10.141 -4.936 1.00 1.00 O ATOM 878 CB VAL B 696 27.533 -13.242 -5.614 1.00 1.00 C ATOM 879 CG1 VAL B 696 27.867 -13.115 -4.128 1.00 1.00 C ATOM 880 CG2 VAL B 696 26.224 -14.017 -5.774 1.00 1.00 C ATOM 0 H VAL B 696 27.346 -12.902 -8.040 1.00 1.00 H new ATOM 0 HA VAL B 696 26.471 -11.374 -5.851 1.00 1.00 H new ATOM 0 HB VAL B 696 28.337 -13.773 -6.123 1.00 1.00 H new ATOM 0 HG11 VAL B 696 27.977 -14.109 -3.694 1.00 1.00 H new ATOM 0 HG12 VAL B 696 28.799 -12.562 -4.011 1.00 1.00 H new ATOM 0 HG13 VAL B 696 27.063 -12.583 -3.619 1.00 1.00 H new ATOM 0 HG21 VAL B 696 26.334 -15.010 -5.338 1.00 1.00 H new ATOM 0 HG22 VAL B 696 25.421 -13.484 -5.265 1.00 1.00 H new ATOM 0 HG23 VAL B 696 25.983 -14.110 -6.833 1.00 1.00 H new ATOM 890 N LEU B 697 29.723 -11.204 -6.458 1.00 1.00 N ATOM 891 CA LEU B 697 30.922 -10.437 -6.121 1.00 1.00 C ATOM 892 C LEU B 697 30.723 -8.945 -6.398 1.00 1.00 C ATOM 893 O LEU B 697 31.064 -8.101 -5.570 1.00 1.00 O ATOM 894 CB LEU B 697 32.110 -10.960 -6.941 1.00 1.00 C ATOM 895 CG LEU B 697 33.384 -10.164 -6.622 1.00 1.00 C ATOM 896 CD1 LEU B 697 33.691 -10.239 -5.125 1.00 1.00 C ATOM 897 CD2 LEU B 697 34.557 -10.755 -7.407 1.00 1.00 C ATOM 0 H LEU B 697 29.850 -11.896 -7.197 1.00 1.00 H new ATOM 0 HA LEU B 697 31.120 -10.561 -5.056 1.00 1.00 H new ATOM 0 HB2 LEU B 697 32.271 -12.016 -6.724 1.00 1.00 H new ATOM 0 HB3 LEU B 697 31.885 -10.884 -8.005 1.00 1.00 H new ATOM 0 HG LEU B 697 33.234 -9.122 -6.904 1.00 1.00 H new ATOM 0 HD11 LEU B 697 34.596 -9.671 -4.910 1.00 1.00 H new ATOM 0 HD12 LEU B 697 32.858 -9.820 -4.561 1.00 1.00 H new ATOM 0 HD13 LEU B 697 33.838 -11.279 -4.835 1.00 1.00 H new ATOM 0 HD21 LEU B 697 35.464 -10.193 -7.184 1.00 1.00 H new ATOM 0 HD22 LEU B 697 34.697 -11.798 -7.122 1.00 1.00 H new ATOM 0 HD23 LEU B 697 34.347 -10.696 -8.475 1.00 1.00 H new ATOM 909 N LEU B 698 30.166 -8.622 -7.557 1.00 1.00 N ATOM 910 CA LEU B 698 29.921 -7.224 -7.902 1.00 1.00 C ATOM 911 C LEU B 698 28.896 -6.597 -6.965 1.00 1.00 C ATOM 912 O LEU B 698 29.042 -5.447 -6.551 1.00 1.00 O ATOM 913 CB LEU B 698 29.449 -7.092 -9.358 1.00 1.00 C ATOM 914 CG LEU B 698 30.646 -7.054 -10.332 1.00 1.00 C ATOM 915 CD1 LEU B 698 31.291 -5.663 -10.317 1.00 1.00 C ATOM 916 CD2 LEU B 698 31.701 -8.100 -9.950 1.00 1.00 C ATOM 0 H LEU B 698 29.878 -9.296 -8.267 1.00 1.00 H new ATOM 0 HA LEU B 698 30.865 -6.690 -7.790 1.00 1.00 H new ATOM 0 HB2 LEU B 698 28.799 -7.930 -9.610 1.00 1.00 H new ATOM 0 HB3 LEU B 698 28.857 -6.184 -9.470 1.00 1.00 H new ATOM 0 HG LEU B 698 30.272 -7.279 -11.331 1.00 1.00 H new ATOM 0 HD11 LEU B 698 32.135 -5.646 -11.007 1.00 1.00 H new ATOM 0 HD12 LEU B 698 30.556 -4.918 -10.623 1.00 1.00 H new ATOM 0 HD13 LEU B 698 31.641 -5.435 -9.310 1.00 1.00 H new ATOM 0 HD21 LEU B 698 32.533 -8.051 -10.653 1.00 1.00 H new ATOM 0 HD22 LEU B 698 32.065 -7.899 -8.942 1.00 1.00 H new ATOM 0 HD23 LEU B 698 31.256 -9.094 -9.983 1.00 1.00 H new ATOM 928 N SER B 699 27.844 -7.349 -6.656 1.00 1.00 N ATOM 929 CA SER B 699 26.783 -6.844 -5.794 1.00 1.00 C ATOM 930 C SER B 699 27.285 -6.502 -4.391 1.00 1.00 C ATOM 931 O SER B 699 26.934 -5.454 -3.845 1.00 1.00 O ATOM 932 CB SER B 699 25.659 -7.876 -5.709 1.00 1.00 C ATOM 933 OG SER B 699 26.175 -9.095 -5.193 1.00 1.00 O ATOM 0 H SER B 699 27.704 -8.304 -6.987 1.00 1.00 H new ATOM 0 HA SER B 699 26.411 -5.920 -6.236 1.00 1.00 H new ATOM 0 HB2 SER B 699 24.859 -7.507 -5.067 1.00 1.00 H new ATOM 0 HB3 SER B 699 25.226 -8.040 -6.696 1.00 1.00 H new ATOM 0 HG SER B 699 27.152 -9.097 -5.274 1.00 1.00 H new ATOM 939 N VAL B 700 28.098 -7.367 -3.798 1.00 1.00 N ATOM 940 CA VAL B 700 28.605 -7.088 -2.462 1.00 1.00 C ATOM 941 C VAL B 700 29.563 -5.896 -2.481 1.00 1.00 C ATOM 942 O VAL B 700 29.540 -5.057 -1.580 1.00 1.00 O ATOM 943 CB VAL B 700 29.281 -8.329 -1.858 1.00 1.00 C ATOM 944 CG1 VAL B 700 30.449 -8.774 -2.729 1.00 1.00 C ATOM 945 CG2 VAL B 700 29.793 -7.997 -0.458 1.00 1.00 C ATOM 0 H VAL B 700 28.414 -8.246 -4.208 1.00 1.00 H new ATOM 0 HA VAL B 700 27.757 -6.829 -1.828 1.00 1.00 H new ATOM 0 HB VAL B 700 28.551 -9.137 -1.805 1.00 1.00 H new ATOM 0 HG11 VAL B 700 30.917 -9.654 -2.288 1.00 1.00 H new ATOM 0 HG12 VAL B 700 30.086 -9.018 -3.727 1.00 1.00 H new ATOM 0 HG13 VAL B 700 31.181 -7.969 -2.796 1.00 1.00 H new ATOM 0 HG21 VAL B 700 30.273 -8.876 -0.028 1.00 1.00 H new ATOM 0 HG22 VAL B 700 30.515 -7.183 -0.518 1.00 1.00 H new ATOM 0 HG23 VAL B 700 28.957 -7.695 0.173 1.00 1.00 H new ATOM 955 N MET B 701 30.413 -5.827 -3.505 1.00 1.00 N ATOM 956 CA MET B 701 31.382 -4.738 -3.606 1.00 1.00 C ATOM 957 C MET B 701 30.662 -3.397 -3.715 1.00 1.00 C ATOM 958 O MET B 701 31.069 -2.414 -3.096 1.00 1.00 O ATOM 959 CB MET B 701 32.272 -4.943 -4.837 1.00 1.00 C ATOM 960 CG MET B 701 33.278 -6.063 -4.560 1.00 1.00 C ATOM 961 SD MET B 701 34.271 -6.363 -6.045 1.00 1.00 S ATOM 962 CE MET B 701 35.181 -4.797 -6.045 1.00 1.00 C ATOM 0 H MET B 701 30.450 -6.504 -4.267 1.00 1.00 H new ATOM 0 HA MET B 701 32.000 -4.738 -2.708 1.00 1.00 H new ATOM 0 HB2 MET B 701 31.660 -5.195 -5.703 1.00 1.00 H new ATOM 0 HB3 MET B 701 32.798 -4.019 -5.077 1.00 1.00 H new ATOM 0 HG2 MET B 701 33.924 -5.788 -3.727 1.00 1.00 H new ATOM 0 HG3 MET B 701 32.754 -6.974 -4.270 1.00 1.00 H new ATOM 0 HE1 MET B 701 36.119 -4.921 -6.586 1.00 1.00 H new ATOM 0 HE2 MET B 701 34.581 -4.027 -6.531 1.00 1.00 H new ATOM 0 HE3 MET B 701 35.392 -4.499 -5.018 1.00 1.00 H new ATOM 972 N GLY B 702 29.585 -3.364 -4.496 1.00 1.00 N ATOM 973 CA GLY B 702 28.813 -2.137 -4.661 1.00 1.00 C ATOM 974 C GLY B 702 28.184 -1.702 -3.335 1.00 1.00 C ATOM 975 O GLY B 702 28.124 -0.514 -3.026 1.00 1.00 O ATOM 0 H GLY B 702 29.230 -4.164 -5.019 1.00 1.00 H new ATOM 0 HA2 GLY B 702 29.459 -1.344 -5.038 1.00 1.00 H new ATOM 0 HA3 GLY B 702 28.031 -2.292 -5.405 1.00 1.00 H new ATOM 979 N ALA B 703 27.715 -2.672 -2.556 1.00 1.00 N ATOM 980 CA ALA B 703 27.090 -2.366 -1.272 1.00 1.00 C ATOM 981 C ALA B 703 28.095 -1.709 -0.327 1.00 1.00 C ATOM 982 O ALA B 703 27.772 -0.744 0.373 1.00 1.00 O ATOM 983 CB ALA B 703 26.562 -3.653 -0.628 1.00 1.00 C ATOM 0 H ALA B 703 27.754 -3.665 -2.786 1.00 1.00 H new ATOM 0 HA ALA B 703 26.265 -1.677 -1.449 1.00 1.00 H new ATOM 0 HB1 ALA B 703 26.097 -3.417 0.329 1.00 1.00 H new ATOM 0 HB2 ALA B 703 25.824 -4.113 -1.286 1.00 1.00 H new ATOM 0 HB3 ALA B 703 27.388 -4.346 -0.469 1.00 1.00 H new ATOM 989 N ILE B 704 29.310 -2.237 -0.335 1.00 1.00 N ATOM 990 CA ILE B 704 30.391 -1.718 0.498 1.00 1.00 C ATOM 991 C ILE B 704 30.756 -0.295 0.084 1.00 1.00 C ATOM 992 O ILE B 704 31.013 0.564 0.922 1.00 1.00 O ATOM 993 CB ILE B 704 31.610 -2.622 0.392 1.00 1.00 C ATOM 994 CG1 ILE B 704 31.277 -3.965 1.035 1.00 1.00 C ATOM 995 CG2 ILE B 704 32.780 -1.995 1.153 1.00 1.00 C ATOM 996 CD1 ILE B 704 32.351 -4.991 0.667 1.00 1.00 C ATOM 0 H ILE B 704 29.576 -3.033 -0.915 1.00 1.00 H new ATOM 0 HA ILE B 704 30.050 -1.698 1.533 1.00 1.00 H new ATOM 0 HB ILE B 704 31.880 -2.753 -0.656 1.00 1.00 H new ATOM 0 HG12 ILE B 704 31.219 -3.857 2.118 1.00 1.00 H new ATOM 0 HG13 ILE B 704 30.300 -4.309 0.697 1.00 1.00 H new ATOM 0 HG21 ILE B 704 33.653 -2.643 1.077 1.00 1.00 H new ATOM 0 HG22 ILE B 704 33.013 -1.021 0.724 1.00 1.00 H new ATOM 0 HG23 ILE B 704 32.509 -1.874 2.202 1.00 1.00 H new ATOM 0 HD11 ILE B 704 32.111 -5.950 1.127 1.00 1.00 H new ATOM 0 HD12 ILE B 704 32.387 -5.107 -0.416 1.00 1.00 H new ATOM 0 HD13 ILE B 704 33.321 -4.648 1.027 1.00 1.00 H new ATOM 1008 N LEU B 705 30.815 -0.069 -1.221 1.00 1.00 N ATOM 1009 CA LEU B 705 31.164 1.243 -1.750 1.00 1.00 C ATOM 1010 C LEU B 705 30.131 2.313 -1.388 1.00 1.00 C ATOM 1011 O LEU B 705 30.495 3.445 -1.075 1.00 1.00 O ATOM 1012 CB LEU B 705 31.327 1.187 -3.273 1.00 1.00 C ATOM 1013 CG LEU B 705 32.622 0.457 -3.649 1.00 1.00 C ATOM 1014 CD1 LEU B 705 32.651 0.244 -5.159 1.00 1.00 C ATOM 1015 CD2 LEU B 705 33.847 1.293 -3.244 1.00 1.00 C ATOM 0 H LEU B 705 30.626 -0.775 -1.932 1.00 1.00 H new ATOM 0 HA LEU B 705 32.111 1.522 -1.288 1.00 1.00 H new ATOM 0 HB2 LEU B 705 30.473 0.676 -3.717 1.00 1.00 H new ATOM 0 HB3 LEU B 705 31.341 2.198 -3.680 1.00 1.00 H new ATOM 0 HG LEU B 705 32.653 -0.499 -3.126 1.00 1.00 H new ATOM 0 HD11 LEU B 705 33.569 -0.275 -5.436 1.00 1.00 H new ATOM 0 HD12 LEU B 705 31.791 -0.355 -5.459 1.00 1.00 H new ATOM 0 HD13 LEU B 705 32.614 1.210 -5.663 1.00 1.00 H new ATOM 0 HD21 LEU B 705 34.758 0.760 -3.518 1.00 1.00 H new ATOM 0 HD22 LEU B 705 33.819 2.253 -3.760 1.00 1.00 H new ATOM 0 HD23 LEU B 705 33.834 1.459 -2.167 1.00 1.00 H new ATOM 1027 N LEU B 706 28.847 1.959 -1.468 1.00 1.00 N ATOM 1028 CA LEU B 706 27.771 2.912 -1.178 1.00 1.00 C ATOM 1029 C LEU B 706 27.813 3.390 0.274 1.00 1.00 C ATOM 1030 O LEU B 706 27.628 4.574 0.548 1.00 1.00 O ATOM 1031 CB LEU B 706 26.413 2.269 -1.471 1.00 1.00 C ATOM 1032 CG LEU B 706 26.245 2.088 -2.986 1.00 1.00 C ATOM 1033 CD1 LEU B 706 25.011 1.231 -3.260 1.00 1.00 C ATOM 1034 CD2 LEU B 706 26.064 3.445 -3.679 1.00 1.00 C ATOM 0 H LEU B 706 28.527 1.026 -1.729 1.00 1.00 H new ATOM 0 HA LEU B 706 27.915 3.781 -1.821 1.00 1.00 H new ATOM 0 HB2 LEU B 706 26.340 1.304 -0.969 1.00 1.00 H new ATOM 0 HB3 LEU B 706 25.611 2.894 -1.078 1.00 1.00 H new ATOM 0 HG LEU B 706 27.140 1.604 -3.376 1.00 1.00 H new ATOM 0 HD11 LEU B 706 24.890 1.101 -4.335 1.00 1.00 H new ATOM 0 HD12 LEU B 706 25.133 0.256 -2.788 1.00 1.00 H new ATOM 0 HD13 LEU B 706 24.128 1.723 -2.852 1.00 1.00 H new ATOM 0 HD21 LEU B 706 25.947 3.293 -4.752 1.00 1.00 H new ATOM 0 HD22 LEU B 706 25.177 3.940 -3.284 1.00 1.00 H new ATOM 0 HD23 LEU B 706 26.940 4.067 -3.494 1.00 1.00 H new ATOM 1046 N ILE B 707 28.060 2.471 1.198 1.00 1.00 N ATOM 1047 CA ILE B 707 28.130 2.832 2.607 1.00 1.00 C ATOM 1048 C ILE B 707 29.363 3.697 2.881 1.00 1.00 C ATOM 1049 O ILE B 707 29.290 4.658 3.644 1.00 1.00 O ATOM 1050 CB ILE B 707 28.102 1.583 3.503 1.00 1.00 C ATOM 1051 CG1 ILE B 707 29.259 0.649 3.154 1.00 1.00 C ATOM 1052 CG2 ILE B 707 26.770 0.845 3.304 1.00 1.00 C ATOM 1053 CD1 ILE B 707 29.319 -0.484 4.183 1.00 1.00 C ATOM 0 H ILE B 707 28.213 1.482 1.001 1.00 1.00 H new ATOM 0 HA ILE B 707 27.248 3.423 2.853 1.00 1.00 H new ATOM 0 HB ILE B 707 28.203 1.892 4.543 1.00 1.00 H new ATOM 0 HG12 ILE B 707 29.123 0.240 2.153 1.00 1.00 H new ATOM 0 HG13 ILE B 707 30.199 1.201 3.148 1.00 1.00 H new ATOM 0 HG21 ILE B 707 26.747 -0.041 3.938 1.00 1.00 H new ATOM 0 HG22 ILE B 707 25.945 1.505 3.572 1.00 1.00 H new ATOM 0 HG23 ILE B 707 26.672 0.547 2.260 1.00 1.00 H new ATOM 0 HD11 ILE B 707 30.143 -1.154 3.939 1.00 1.00 H new ATOM 0 HD12 ILE B 707 29.474 -0.065 5.177 1.00 1.00 H new ATOM 0 HD13 ILE B 707 28.382 -1.041 4.166 1.00 1.00 H new ATOM 1065 N GLY B 708 30.492 3.361 2.257 1.00 1.00 N ATOM 1066 CA GLY B 708 31.713 4.138 2.459 1.00 1.00 C ATOM 1067 C GLY B 708 31.506 5.582 2.009 1.00 1.00 C ATOM 1068 O GLY B 708 31.915 6.522 2.691 1.00 1.00 O ATOM 0 H GLY B 708 30.586 2.571 1.619 1.00 1.00 H new ATOM 0 HA2 GLY B 708 31.996 4.115 3.511 1.00 1.00 H new ATOM 0 HA3 GLY B 708 32.534 3.690 1.899 1.00 1.00 H new ATOM 1072 N LEU B 709 30.855 5.748 0.864 1.00 1.00 N ATOM 1073 CA LEU B 709 30.583 7.081 0.336 1.00 1.00 C ATOM 1074 C LEU B 709 29.671 7.854 1.287 1.00 1.00 C ATOM 1075 O LEU B 709 29.887 9.034 1.543 1.00 1.00 O ATOM 1076 CB LEU B 709 29.924 6.965 -1.045 1.00 1.00 C ATOM 1077 CG LEU B 709 29.604 8.357 -1.611 1.00 1.00 C ATOM 1078 CD1 LEU B 709 30.882 9.193 -1.696 1.00 1.00 C ATOM 1079 CD2 LEU B 709 29.009 8.208 -3.013 1.00 1.00 C ATOM 0 H LEU B 709 30.507 4.983 0.286 1.00 1.00 H new ATOM 0 HA LEU B 709 31.524 7.622 0.241 1.00 1.00 H new ATOM 0 HB2 LEU B 709 30.588 6.433 -1.727 1.00 1.00 H new ATOM 0 HB3 LEU B 709 29.008 6.378 -0.969 1.00 1.00 H new ATOM 0 HG LEU B 709 28.891 8.854 -0.954 1.00 1.00 H new ATOM 0 HD11 LEU B 709 30.646 10.178 -2.098 1.00 1.00 H new ATOM 0 HD12 LEU B 709 31.313 9.301 -0.701 1.00 1.00 H new ATOM 0 HD13 LEU B 709 31.599 8.696 -2.350 1.00 1.00 H new ATOM 0 HD21 LEU B 709 28.781 9.194 -3.418 1.00 1.00 H new ATOM 0 HD22 LEU B 709 29.727 7.707 -3.662 1.00 1.00 H new ATOM 0 HD23 LEU B 709 28.095 7.617 -2.959 1.00 1.00 H new ATOM 1091 N ALA B 710 28.650 7.177 1.804 1.00 1.00 N ATOM 1092 CA ALA B 710 27.710 7.814 2.721 1.00 1.00 C ATOM 1093 C ALA B 710 28.431 8.281 3.978 1.00 1.00 C ATOM 1094 O ALA B 710 28.122 9.341 4.527 1.00 1.00 O ATOM 1095 CB ALA B 710 26.602 6.829 3.103 1.00 1.00 C ATOM 0 H ALA B 710 28.453 6.196 1.606 1.00 1.00 H new ATOM 0 HA ALA B 710 27.270 8.677 2.222 1.00 1.00 H new ATOM 0 HB1 ALA B 710 25.905 7.313 3.787 1.00 1.00 H new ATOM 0 HB2 ALA B 710 26.070 6.514 2.205 1.00 1.00 H new ATOM 0 HB3 ALA B 710 27.041 5.958 3.588 1.00 1.00 H new ATOM 1101 N ALA B 711 29.395 7.490 4.424 1.00 1.00 N ATOM 1102 CA ALA B 711 30.160 7.836 5.614 1.00 1.00 C ATOM 1103 C ALA B 711 30.930 9.133 5.388 1.00 1.00 C ATOM 1104 O ALA B 711 31.078 9.944 6.303 1.00 1.00 O ATOM 1105 CB ALA B 711 31.137 6.707 5.952 1.00 1.00 C ATOM 0 H ALA B 711 29.665 6.610 3.984 1.00 1.00 H new ATOM 0 HA ALA B 711 29.470 7.975 6.446 1.00 1.00 H new ATOM 0 HB1 ALA B 711 31.706 6.973 6.843 1.00 1.00 H new ATOM 0 HB2 ALA B 711 30.581 5.788 6.137 1.00 1.00 H new ATOM 0 HB3 ALA B 711 31.821 6.555 5.117 1.00 1.00 H new ATOM 1111 N LEU B 712 31.425 9.319 4.167 1.00 1.00 N ATOM 1112 CA LEU B 712 32.185 10.520 3.837 1.00 1.00 C ATOM 1113 C LEU B 712 31.320 11.768 3.992 1.00 1.00 C ATOM 1114 O LEU B 712 31.763 12.772 4.553 1.00 1.00 O ATOM 1115 CB LEU B 712 32.696 10.423 2.392 1.00 1.00 C ATOM 1116 CG LEU B 712 33.490 11.681 2.013 1.00 1.00 C ATOM 1117 CD1 LEU B 712 34.666 11.860 2.973 1.00 1.00 C ATOM 1118 CD2 LEU B 712 34.024 11.529 0.587 1.00 1.00 C ATOM 0 H LEU B 712 31.315 8.660 3.397 1.00 1.00 H new ATOM 0 HA LEU B 712 33.029 10.597 4.523 1.00 1.00 H new ATOM 0 HB2 LEU B 712 33.327 9.541 2.282 1.00 1.00 H new ATOM 0 HB3 LEU B 712 31.854 10.299 1.711 1.00 1.00 H new ATOM 0 HG LEU B 712 32.837 12.552 2.075 1.00 1.00 H new ATOM 0 HD11 LEU B 712 35.226 12.754 2.699 1.00 1.00 H new ATOM 0 HD12 LEU B 712 34.292 11.964 3.991 1.00 1.00 H new ATOM 0 HD13 LEU B 712 35.320 10.990 2.914 1.00 1.00 H new ATOM 0 HD21 LEU B 712 34.589 12.420 0.313 1.00 1.00 H new ATOM 0 HD22 LEU B 712 34.675 10.656 0.533 1.00 1.00 H new ATOM 0 HD23 LEU B 712 33.189 11.402 -0.102 1.00 1.00 H new ATOM 1130 N LEU B 713 30.084 11.704 3.501 1.00 1.00 N ATOM 1131 CA LEU B 713 29.177 12.846 3.607 1.00 1.00 C ATOM 1132 C LEU B 713 28.869 13.166 5.065 1.00 1.00 C ATOM 1133 O LEU B 713 28.813 14.330 5.455 1.00 1.00 O ATOM 1134 CB LEU B 713 27.864 12.579 2.858 1.00 1.00 C ATOM 1135 CG LEU B 713 28.025 12.906 1.366 1.00 1.00 C ATOM 1136 CD1 LEU B 713 29.047 11.968 0.728 1.00 1.00 C ATOM 1137 CD2 LEU B 713 26.682 12.728 0.658 1.00 1.00 C ATOM 0 H LEU B 713 29.691 10.887 3.033 1.00 1.00 H new ATOM 0 HA LEU B 713 29.678 13.701 3.153 1.00 1.00 H new ATOM 0 HB2 LEU B 713 27.574 11.535 2.979 1.00 1.00 H new ATOM 0 HB3 LEU B 713 27.064 13.184 3.285 1.00 1.00 H new ATOM 0 HG LEU B 713 28.368 13.936 1.267 1.00 1.00 H new ATOM 0 HD11 LEU B 713 29.152 12.210 -0.330 1.00 1.00 H new ATOM 0 HD12 LEU B 713 30.010 12.087 1.225 1.00 1.00 H new ATOM 0 HD13 LEU B 713 28.709 10.937 0.833 1.00 1.00 H new ATOM 0 HD21 LEU B 713 26.795 12.960 -0.401 1.00 1.00 H new ATOM 0 HD22 LEU B 713 26.346 11.697 0.770 1.00 1.00 H new ATOM 0 HD23 LEU B 713 25.946 13.400 1.100 1.00 1.00 H new ATOM 1149 N ILE B 714 28.656 12.128 5.866 1.00 1.00 N ATOM 1150 CA ILE B 714 28.338 12.323 7.276 1.00 1.00 C ATOM 1151 C ILE B 714 29.489 12.997 8.016 1.00 1.00 C ATOM 1152 O ILE B 714 29.275 13.918 8.805 1.00 1.00 O ATOM 1153 CB ILE B 714 28.040 10.972 7.927 1.00 1.00 C ATOM 1154 CG1 ILE B 714 26.734 10.412 7.360 1.00 1.00 C ATOM 1155 CG2 ILE B 714 27.909 11.148 9.441 1.00 1.00 C ATOM 1156 CD1 ILE B 714 26.567 8.958 7.803 1.00 1.00 C ATOM 0 H ILE B 714 28.697 11.153 5.568 1.00 1.00 H new ATOM 0 HA ILE B 714 27.463 12.970 7.339 1.00 1.00 H new ATOM 0 HB ILE B 714 28.855 10.280 7.715 1.00 1.00 H new ATOM 0 HG12 ILE B 714 25.890 11.008 7.706 1.00 1.00 H new ATOM 0 HG13 ILE B 714 26.742 10.473 6.272 1.00 1.00 H new ATOM 0 HG21 ILE B 714 27.697 10.184 9.902 1.00 1.00 H new ATOM 0 HG22 ILE B 714 28.841 11.545 9.843 1.00 1.00 H new ATOM 0 HG23 ILE B 714 27.096 11.841 9.658 1.00 1.00 H new ATOM 0 HD11 ILE B 714 25.637 8.559 7.399 1.00 1.00 H new ATOM 0 HD12 ILE B 714 27.405 8.367 7.435 1.00 1.00 H new ATOM 0 HD13 ILE B 714 26.540 8.910 8.892 1.00 1.00 H new ATOM 1168 N TRP B 715 30.708 12.539 7.756 1.00 1.00 N ATOM 1169 CA TRP B 715 31.882 13.112 8.407 1.00 1.00 C ATOM 1170 C TRP B 715 32.003 14.590 8.017 1.00 1.00 C ATOM 1171 O TRP B 715 32.223 15.455 8.863 1.00 1.00 O ATOM 1172 CB TRP B 715 33.127 12.323 7.986 1.00 1.00 C ATOM 1173 CG TRP B 715 34.154 12.333 9.081 1.00 1.00 C ATOM 1174 CD1 TRP B 715 34.365 13.335 9.968 1.00 1.00 C ATOM 1175 CD2 TRP B 715 35.090 11.276 9.433 1.00 1.00 C ATOM 1176 NE1 TRP B 715 35.388 12.966 10.825 1.00 1.00 N ATOM 1177 CE2 TRP B 715 35.863 11.702 10.538 1.00 1.00 C ATOM 1178 CE3 TRP B 715 35.345 10.000 8.899 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 36.852 10.892 11.095 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 36.340 9.182 9.456 1.00 1.00 C ATOM 1181 CH2 TRP B 715 37.092 9.626 10.553 1.00 1.00 C ATOM 0 H TRP B 715 30.909 11.780 7.105 1.00 1.00 H new ATOM 0 HA TRP B 715 31.786 13.049 9.491 1.00 1.00 H new ATOM 0 HB2 TRP B 715 32.850 11.296 7.749 1.00 1.00 H new ATOM 0 HB3 TRP B 715 33.550 12.756 7.080 1.00 1.00 H new ATOM 0 HD1 TRP B 715 33.824 14.269 10.001 1.00 1.00 H new ATOM 0 HE1 TRP B 715 35.747 13.556 11.576 1.00 1.00 H new ATOM 0 HE3 TRP B 715 34.771 9.647 8.055 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 37.429 11.240 11.939 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 36.528 8.204 9.037 1.00 1.00 H new ATOM 0 HH2 TRP B 715 37.855 8.991 10.978 1.00 1.00 H new ATOM 1192 N LYS B 716 31.817 14.874 6.728 1.00 1.00 N ATOM 1193 CA LYS B 716 31.874 16.251 6.235 1.00 1.00 C ATOM 1194 C LYS B 716 30.772 17.082 6.894 1.00 1.00 C ATOM 1195 O LYS B 716 30.970 18.248 7.240 1.00 1.00 O ATOM 1196 CB LYS B 716 31.685 16.273 4.707 1.00 1.00 C ATOM 1197 CG LYS B 716 32.997 16.634 3.978 1.00 1.00 C ATOM 1198 CD LYS B 716 33.118 18.162 3.777 1.00 1.00 C ATOM 1199 CE LYS B 716 33.528 18.841 5.091 1.00 1.00 C ATOM 1200 NZ LYS B 716 33.935 20.251 4.829 1.00 1.00 N ATOM 0 H LYS B 716 31.627 14.175 6.010 1.00 1.00 H new ATOM 0 HA LYS B 716 32.848 16.674 6.483 1.00 1.00 H new ATOM 0 HB2 LYS B 716 31.337 15.297 4.369 1.00 1.00 H new ATOM 0 HB3 LYS B 716 30.912 16.996 4.446 1.00 1.00 H new ATOM 0 HG2 LYS B 716 33.849 16.271 4.554 1.00 1.00 H new ATOM 0 HG3 LYS B 716 33.029 16.133 3.011 1.00 1.00 H new ATOM 0 HD2 LYS B 716 33.855 18.377 3.003 1.00 1.00 H new ATOM 0 HD3 LYS B 716 32.167 18.567 3.432 1.00 1.00 H new ATOM 0 HE2 LYS B 716 32.697 18.818 5.797 1.00 1.00 H new ATOM 0 HE3 LYS B 716 34.352 18.295 5.551 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 34.211 20.704 5.723 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 34.740 20.263 4.171 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 33.138 20.770 4.409 1.00 1.00 H new ATOM 1214 N LEU B 717 29.607 16.475 7.060 1.00 1.00 N ATOM 1215 CA LEU B 717 28.471 17.151 7.677 1.00 1.00 C ATOM 1216 C LEU B 717 28.813 17.529 9.121 1.00 1.00 C ATOM 1217 O LEU B 717 28.450 18.601 9.595 1.00 1.00 O ATOM 1218 CB LEU B 717 27.245 16.221 7.658 1.00 1.00 C ATOM 1219 CG LEU B 717 26.021 16.920 8.266 1.00 1.00 C ATOM 1220 CD1 LEU B 717 25.698 18.190 7.479 1.00 1.00 C ATOM 1221 CD2 LEU B 717 24.817 15.976 8.208 1.00 1.00 C ATOM 0 H LEU B 717 29.421 15.513 6.776 1.00 1.00 H new ATOM 0 HA LEU B 717 28.244 18.058 7.116 1.00 1.00 H new ATOM 0 HB2 LEU B 717 27.026 15.921 6.633 1.00 1.00 H new ATOM 0 HB3 LEU B 717 27.464 15.311 8.216 1.00 1.00 H new ATOM 0 HG LEU B 717 26.240 17.183 9.301 1.00 1.00 H new ATOM 0 HD11 LEU B 717 24.828 18.679 7.918 1.00 1.00 H new ATOM 0 HD12 LEU B 717 26.551 18.867 7.515 1.00 1.00 H new ATOM 0 HD13 LEU B 717 25.484 17.931 6.442 1.00 1.00 H new ATOM 0 HD21 LEU B 717 23.946 16.470 8.639 1.00 1.00 H new ATOM 0 HD22 LEU B 717 24.609 15.715 7.170 1.00 1.00 H new ATOM 0 HD23 LEU B 717 25.037 15.070 8.773 1.00 1.00 H new ATOM 1233 N LEU B 718 29.503 16.634 9.822 1.00 1.00 N ATOM 1234 CA LEU B 718 29.866 16.885 11.215 1.00 1.00 C ATOM 1235 C LEU B 718 30.747 18.129 11.315 1.00 1.00 C ATOM 1236 O LEU B 718 30.547 18.975 12.191 1.00 1.00 O ATOM 1237 CB LEU B 718 30.612 15.675 11.793 1.00 1.00 C ATOM 1238 CG LEU B 718 30.920 15.901 13.281 1.00 1.00 C ATOM 1239 CD1 LEU B 718 29.618 16.039 14.073 1.00 1.00 C ATOM 1240 CD2 LEU B 718 31.709 14.710 13.826 1.00 1.00 C ATOM 0 H LEU B 718 29.820 15.737 9.454 1.00 1.00 H new ATOM 0 HA LEU B 718 28.953 17.049 11.788 1.00 1.00 H new ATOM 0 HB2 LEU B 718 30.009 14.775 11.672 1.00 1.00 H new ATOM 0 HB3 LEU B 718 31.539 15.514 11.243 1.00 1.00 H new ATOM 0 HG LEU B 718 31.505 16.815 13.384 1.00 1.00 H new ATOM 0 HD11 LEU B 718 29.848 16.199 15.126 1.00 1.00 H new ATOM 0 HD12 LEU B 718 29.049 16.888 13.693 1.00 1.00 H new ATOM 0 HD13 LEU B 718 29.028 15.129 13.965 1.00 1.00 H new ATOM 0 HD21 LEU B 718 31.927 14.871 14.882 1.00 1.00 H new ATOM 0 HD22 LEU B 718 31.120 13.800 13.712 1.00 1.00 H new ATOM 0 HD23 LEU B 718 32.643 14.609 13.274 1.00 1.00 H new ATOM 1252 N ILE B 719 31.700 18.251 10.399 1.00 1.00 N ATOM 1253 CA ILE B 719 32.578 19.419 10.367 1.00 1.00 C ATOM 1254 C ILE B 719 31.770 20.686 10.081 1.00 1.00 C ATOM 1255 O ILE B 719 31.990 21.729 10.694 1.00 1.00 O ATOM 1256 CB ILE B 719 33.678 19.260 9.322 1.00 1.00 C ATOM 1257 CG1 ILE B 719 34.671 18.172 9.760 1.00 1.00 C ATOM 1258 CG2 ILE B 719 34.414 20.590 9.154 1.00 1.00 C ATOM 1259 CD1 ILE B 719 35.630 17.867 8.602 1.00 1.00 C ATOM 0 H ILE B 719 31.886 17.561 9.671 1.00 1.00 H new ATOM 0 HA ILE B 719 33.048 19.506 11.347 1.00 1.00 H new ATOM 0 HB ILE B 719 33.230 18.967 8.373 1.00 1.00 H new ATOM 0 HG12 ILE B 719 35.231 18.505 10.634 1.00 1.00 H new ATOM 0 HG13 ILE B 719 34.134 17.269 10.051 1.00 1.00 H new ATOM 0 HG21 ILE B 719 35.201 20.479 8.408 1.00 1.00 H new ATOM 0 HG22 ILE B 719 33.711 21.356 8.828 1.00 1.00 H new ATOM 0 HG23 ILE B 719 34.856 20.884 10.106 1.00 1.00 H new ATOM 0 HD11 ILE B 719 36.336 17.096 8.908 1.00 1.00 H new ATOM 0 HD12 ILE B 719 35.061 17.517 7.741 1.00 1.00 H new ATOM 0 HD13 ILE B 719 36.175 18.772 8.333 1.00 1.00 H new ATOM 1271 N THR B 720 30.843 20.581 9.138 1.00 1.00 N ATOM 1272 CA THR B 720 29.998 21.705 8.760 1.00 1.00 C ATOM 1273 C THR B 720 29.158 22.184 9.953 1.00 1.00 C ATOM 1274 O THR B 720 28.949 23.383 10.121 1.00 1.00 O ATOM 1275 CB THR B 720 29.104 21.318 7.582 1.00 1.00 C ATOM 1276 OG1 THR B 720 29.900 20.711 6.571 1.00 1.00 O ATOM 1277 CG2 THR B 720 28.423 22.566 7.015 1.00 1.00 C ATOM 0 H THR B 720 30.657 19.723 8.618 1.00 1.00 H new ATOM 0 HA THR B 720 30.638 22.532 8.452 1.00 1.00 H new ATOM 0 HB THR B 720 28.341 20.617 7.921 1.00 1.00 H new ATOM 0 HG1 THR B 720 30.104 19.787 6.826 1.00 1.00 H new ATOM 0 HG21 THR B 720 27.787 22.284 6.176 1.00 1.00 H new ATOM 0 HG22 THR B 720 27.815 23.033 7.790 1.00 1.00 H new ATOM 0 HG23 THR B 720 29.181 23.271 6.675 1.00 1.00 H new ATOM 1285 N ILE B 721 28.658 21.252 10.753 1.00 1.00 N ATOM 1286 CA ILE B 721 27.845 21.624 11.905 1.00 1.00 C ATOM 1287 C ILE B 721 28.674 22.420 12.915 1.00 1.00 C ATOM 1288 O ILE B 721 28.198 23.412 13.466 1.00 1.00 O ATOM 1289 CB ILE B 721 27.243 20.388 12.576 1.00 1.00 C ATOM 1290 CG1 ILE B 721 26.215 19.766 11.621 1.00 1.00 C ATOM 1291 CG2 ILE B 721 26.544 20.817 13.878 1.00 1.00 C ATOM 1292 CD1 ILE B 721 25.818 18.375 12.116 1.00 1.00 C ATOM 0 H ILE B 721 28.797 20.249 10.630 1.00 1.00 H new ATOM 0 HA ILE B 721 27.029 22.252 11.548 1.00 1.00 H new ATOM 0 HB ILE B 721 28.022 19.661 12.805 1.00 1.00 H new ATOM 0 HG12 ILE B 721 25.333 20.404 11.557 1.00 1.00 H new ATOM 0 HG13 ILE B 721 26.633 19.698 10.617 1.00 1.00 H new ATOM 0 HG21 ILE B 721 26.111 19.942 14.364 1.00 1.00 H new ATOM 0 HG22 ILE B 721 27.271 21.281 14.545 1.00 1.00 H new ATOM 0 HG23 ILE B 721 25.754 21.532 13.648 1.00 1.00 H new ATOM 0 HD11 ILE B 721 25.088 17.940 11.433 1.00 1.00 H new ATOM 0 HD12 ILE B 721 26.701 17.738 12.157 1.00 1.00 H new ATOM 0 HD13 ILE B 721 25.381 18.454 13.111 1.00 1.00 H new ATOM 1304 N HIS B 722 29.904 21.980 13.169 1.00 1.00 N ATOM 1305 CA HIS B 722 30.756 22.680 14.127 1.00 1.00 C ATOM 1306 C HIS B 722 31.075 24.082 13.623 1.00 1.00 C ATOM 1307 O HIS B 722 31.049 25.046 14.386 1.00 1.00 O ATOM 1308 CB HIS B 722 32.062 21.908 14.350 1.00 1.00 C ATOM 1309 CG HIS B 722 31.800 20.720 15.232 1.00 1.00 C ATOM 1310 ND1 HIS B 722 31.379 19.496 14.736 1.00 1.00 N ATOM 1311 CD2 HIS B 722 31.896 20.560 16.592 1.00 1.00 C ATOM 1312 CE1 HIS B 722 31.239 18.663 15.783 1.00 1.00 C ATOM 1313 NE2 HIS B 722 31.539 19.262 16.938 1.00 1.00 N ATOM 0 H HIS B 722 30.327 21.159 12.735 1.00 1.00 H new ATOM 0 HA HIS B 722 30.219 22.750 15.073 1.00 1.00 H new ATOM 0 HB2 HIS B 722 32.471 21.581 13.394 1.00 1.00 H new ATOM 0 HB3 HIS B 722 32.807 22.558 14.810 1.00 1.00 H new ATOM 0 HD1 HIS B 722 31.207 19.269 13.757 1.00 1.00 H new ATOM 0 HD2 HIS B 722 32.203 21.327 17.288 1.00 1.00 H new ATOM 0 HE1 HIS B 722 30.922 17.634 15.699 1.00 1.00 H new ATOM 1321 N ASP B 723 31.353 24.192 12.331 1.00 1.00 N ATOM 1322 CA ASP B 723 31.661 25.484 11.733 1.00 1.00 C ATOM 1323 C ASP B 723 30.473 26.438 11.865 1.00 1.00 C ATOM 1324 O ASP B 723 30.650 27.618 12.167 1.00 1.00 O ATOM 1325 CB ASP B 723 31.981 25.299 10.243 1.00 1.00 C ATOM 1326 CG ASP B 723 33.450 24.924 10.039 1.00 1.00 C ATOM 1327 OD1 ASP B 723 34.193 24.929 11.007 1.00 1.00 O ATOM 1328 OD2 ASP B 723 33.809 24.634 8.910 1.00 1.00 O ATOM 0 H ASP B 723 31.372 23.407 11.680 1.00 1.00 H new ATOM 0 HA ASP B 723 32.520 25.907 12.255 1.00 1.00 H new ATOM 0 HB2 ASP B 723 31.342 24.521 9.824 1.00 1.00 H new ATOM 0 HB3 ASP B 723 31.759 26.219 9.703 1.00 1.00 H new