USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 530 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 70:sc= 0.312 USER MOD Single : A 987 MET CE :methyl 169:sc= -1.19 (180deg=-1.44) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 699 SER OG : rot -5:sc= 0.0541 USER MOD Single : B 701 MET CE :methyl 148:sc= -0.114 (180deg=-0.956) USER MOD Single : B 716 LYS NZ :NH3+ 164:sc= -3.37! (180deg=-5.01!) USER MOD Single : B 720 THR OG1 : rot 76:sc= 0.573 USER MOD Single : B 722 HIS : no HE2:sc= -0.192! C(o=-0.19!,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 64.199 -16.372 3.993 1.00 1.00 N ATOM 137 CA ILE A 966 63.391 -15.338 3.342 1.00 1.00 C ATOM 138 C ILE A 966 63.259 -14.045 4.153 1.00 1.00 C ATOM 139 O ILE A 966 63.285 -12.948 3.588 1.00 1.00 O ATOM 140 CB ILE A 966 61.986 -15.891 3.071 1.00 1.00 C ATOM 141 CG1 ILE A 966 62.085 -17.199 2.265 1.00 1.00 C ATOM 142 CG2 ILE A 966 61.146 -14.863 2.315 1.00 1.00 C ATOM 143 CD1 ILE A 966 62.818 -16.973 0.929 1.00 1.00 C ATOM 0 HA ILE A 966 63.912 -15.081 2.420 1.00 1.00 H new ATOM 0 HB ILE A 966 61.499 -16.099 4.024 1.00 1.00 H new ATOM 0 HG12 ILE A 966 62.613 -17.951 2.850 1.00 1.00 H new ATOM 0 HG13 ILE A 966 61.085 -17.588 2.073 1.00 1.00 H new ATOM 0 HG21 ILE A 966 60.152 -15.270 2.130 1.00 1.00 H new ATOM 0 HG22 ILE A 966 61.061 -13.954 2.910 1.00 1.00 H new ATOM 0 HG23 ILE A 966 61.625 -14.630 1.364 1.00 1.00 H new ATOM 0 HD11 ILE A 966 62.873 -17.913 0.381 1.00 1.00 H new ATOM 0 HD12 ILE A 966 62.274 -16.238 0.335 1.00 1.00 H new ATOM 0 HD13 ILE A 966 63.826 -16.607 1.124 1.00 1.00 H new ATOM 155 N TRP A 967 63.037 -14.169 5.456 1.00 1.00 N ATOM 156 CA TRP A 967 62.813 -12.979 6.289 1.00 1.00 C ATOM 157 C TRP A 967 63.954 -11.966 6.183 1.00 1.00 C ATOM 158 O TRP A 967 63.718 -10.776 5.972 1.00 1.00 O ATOM 159 CB TRP A 967 62.688 -13.374 7.764 1.00 1.00 C ATOM 160 CG TRP A 967 62.879 -14.846 7.904 1.00 1.00 C ATOM 161 CD1 TRP A 967 63.998 -15.419 8.397 1.00 1.00 C ATOM 162 CD2 TRP A 967 61.976 -15.935 7.562 1.00 1.00 C ATOM 163 NE1 TRP A 967 63.846 -16.789 8.381 1.00 1.00 N ATOM 164 CE2 TRP A 967 62.614 -17.160 7.876 1.00 1.00 C ATOM 165 CE3 TRP A 967 60.681 -15.983 7.018 1.00 1.00 C ATOM 166 CZ2 TRP A 967 61.989 -18.385 7.657 1.00 1.00 C ATOM 167 CZ3 TRP A 967 60.047 -17.218 6.797 1.00 1.00 C ATOM 168 CH2 TRP A 967 60.702 -18.417 7.117 1.00 1.00 C ATOM 0 H TRP A 967 63.006 -15.057 5.956 1.00 1.00 H new ATOM 0 HA TRP A 967 61.894 -12.523 5.921 1.00 1.00 H new ATOM 0 HB2 TRP A 967 63.431 -12.842 8.358 1.00 1.00 H new ATOM 0 HB3 TRP A 967 61.709 -13.086 8.147 1.00 1.00 H new ATOM 0 HD1 TRP A 967 64.871 -14.889 8.747 1.00 1.00 H new ATOM 0 HE1 TRP A 967 64.555 -17.448 8.702 1.00 1.00 H new ATOM 0 HE3 TRP A 967 60.170 -15.065 6.768 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 62.497 -19.305 7.904 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 59.051 -17.244 6.379 1.00 1.00 H new ATOM 0 HH2 TRP A 967 60.211 -19.364 6.946 1.00 1.00 H new ATOM 179 N TRP A 968 65.179 -12.419 6.419 1.00 1.00 N ATOM 180 CA TRP A 968 66.331 -11.509 6.431 1.00 1.00 C ATOM 181 C TRP A 968 66.478 -10.779 5.100 1.00 1.00 C ATOM 182 O TRP A 968 66.782 -9.586 5.087 1.00 1.00 O ATOM 183 CB TRP A 968 67.624 -12.261 6.732 1.00 1.00 C ATOM 184 CG TRP A 968 67.495 -12.954 8.047 1.00 1.00 C ATOM 185 CD1 TRP A 968 67.516 -14.289 8.198 1.00 1.00 C ATOM 186 CD2 TRP A 968 67.307 -12.389 9.385 1.00 1.00 C ATOM 187 NE1 TRP A 968 67.354 -14.596 9.536 1.00 1.00 N ATOM 188 CE2 TRP A 968 67.222 -13.459 10.309 1.00 1.00 C ATOM 189 CE3 TRP A 968 67.204 -11.075 9.884 1.00 1.00 C ATOM 190 CZ2 TRP A 968 67.041 -13.236 11.674 1.00 1.00 C ATOM 191 CZ3 TRP A 968 67.025 -10.848 11.260 1.00 1.00 C ATOM 192 CH2 TRP A 968 66.943 -11.926 12.154 1.00 1.00 C ATOM 0 H TRP A 968 65.405 -13.396 6.603 1.00 1.00 H new ATOM 0 HA TRP A 968 66.148 -10.778 7.219 1.00 1.00 H new ATOM 0 HB2 TRP A 968 67.829 -12.986 5.944 1.00 1.00 H new ATOM 0 HB3 TRP A 968 68.465 -11.568 6.754 1.00 1.00 H new ATOM 0 HD1 TRP A 968 67.640 -15.007 7.401 1.00 1.00 H new ATOM 0 HE1 TRP A 968 67.334 -15.546 9.907 1.00 1.00 H new ATOM 0 HE3 TRP A 968 67.263 -10.237 9.205 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 66.977 -14.070 12.357 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 66.950 -9.837 11.631 1.00 1.00 H new ATOM 0 HH2 TRP A 968 66.805 -11.745 13.210 1.00 1.00 H new ATOM 203 N VAL A 969 66.243 -11.460 3.982 1.00 1.00 N ATOM 204 CA VAL A 969 66.340 -10.794 2.688 1.00 1.00 C ATOM 205 C VAL A 969 65.270 -9.713 2.606 1.00 1.00 C ATOM 206 O VAL A 969 65.522 -8.583 2.183 1.00 1.00 O ATOM 207 CB VAL A 969 66.139 -11.810 1.567 1.00 1.00 C ATOM 208 CG1 VAL A 969 66.035 -11.081 0.227 1.00 1.00 C ATOM 209 CG2 VAL A 969 67.329 -12.778 1.538 1.00 1.00 C ATOM 0 H VAL A 969 65.990 -12.447 3.944 1.00 1.00 H new ATOM 0 HA VAL A 969 67.326 -10.342 2.580 1.00 1.00 H new ATOM 0 HB VAL A 969 65.220 -12.370 1.743 1.00 1.00 H new ATOM 0 HG11 VAL A 969 65.892 -11.808 -0.572 1.00 1.00 H new ATOM 0 HG12 VAL A 969 65.188 -10.395 0.251 1.00 1.00 H new ATOM 0 HG13 VAL A 969 66.951 -10.519 0.046 1.00 1.00 H new ATOM 0 HG21 VAL A 969 67.188 -13.505 0.738 1.00 1.00 H new ATOM 0 HG22 VAL A 969 68.248 -12.219 1.362 1.00 1.00 H new ATOM 0 HG23 VAL A 969 67.398 -13.299 2.493 1.00 1.00 H new ATOM 219 N LEU A 970 64.072 -10.092 3.030 1.00 1.00 N ATOM 220 CA LEU A 970 62.936 -9.180 3.023 1.00 1.00 C ATOM 221 C LEU A 970 63.206 -7.997 3.946 1.00 1.00 C ATOM 222 O LEU A 970 62.899 -6.856 3.603 1.00 1.00 O ATOM 223 CB LEU A 970 61.670 -9.917 3.473 1.00 1.00 C ATOM 224 CG LEU A 970 60.466 -8.961 3.488 1.00 1.00 C ATOM 225 CD1 LEU A 970 60.254 -8.345 2.101 1.00 1.00 C ATOM 226 CD2 LEU A 970 59.216 -9.744 3.887 1.00 1.00 C ATOM 0 H LEU A 970 63.861 -11.025 3.383 1.00 1.00 H new ATOM 0 HA LEU A 970 62.789 -8.809 2.009 1.00 1.00 H new ATOM 0 HB2 LEU A 970 61.470 -10.752 2.801 1.00 1.00 H new ATOM 0 HB3 LEU A 970 61.821 -10.337 4.468 1.00 1.00 H new ATOM 0 HG LEU A 970 60.656 -8.160 4.203 1.00 1.00 H new ATOM 0 HD11 LEU A 970 59.398 -7.671 2.129 1.00 1.00 H new ATOM 0 HD12 LEU A 970 61.145 -7.788 1.810 1.00 1.00 H new ATOM 0 HD13 LEU A 970 60.068 -9.137 1.376 1.00 1.00 H new ATOM 0 HD21 LEU A 970 58.356 -9.074 3.901 1.00 1.00 H new ATOM 0 HD22 LEU A 970 59.042 -10.543 3.167 1.00 1.00 H new ATOM 0 HD23 LEU A 970 59.357 -10.174 4.879 1.00 1.00 H new ATOM 238 N VAL A 971 63.766 -8.271 5.119 1.00 1.00 N ATOM 239 CA VAL A 971 64.063 -7.223 6.088 1.00 1.00 C ATOM 240 C VAL A 971 65.096 -6.240 5.541 1.00 1.00 C ATOM 241 O VAL A 971 64.942 -5.024 5.674 1.00 1.00 O ATOM 242 CB VAL A 971 64.591 -7.848 7.379 1.00 1.00 C ATOM 243 CG1 VAL A 971 65.100 -6.746 8.311 1.00 1.00 C ATOM 244 CG2 VAL A 971 63.464 -8.623 8.069 1.00 1.00 C ATOM 0 H VAL A 971 64.023 -9.210 5.422 1.00 1.00 H new ATOM 0 HA VAL A 971 63.141 -6.677 6.289 1.00 1.00 H new ATOM 0 HB VAL A 971 65.409 -8.529 7.144 1.00 1.00 H new ATOM 0 HG11 VAL A 971 65.476 -7.193 9.231 1.00 1.00 H new ATOM 0 HG12 VAL A 971 65.903 -6.196 7.820 1.00 1.00 H new ATOM 0 HG13 VAL A 971 64.284 -6.063 8.547 1.00 1.00 H new ATOM 0 HG21 VAL A 971 63.840 -9.069 8.990 1.00 1.00 H new ATOM 0 HG22 VAL A 971 62.645 -7.943 8.303 1.00 1.00 H new ATOM 0 HG23 VAL A 971 63.104 -9.409 7.406 1.00 1.00 H new ATOM 254 N GLY A 972 66.161 -6.773 4.945 1.00 1.00 N ATOM 255 CA GLY A 972 67.220 -5.925 4.405 1.00 1.00 C ATOM 256 C GLY A 972 66.687 -4.999 3.321 1.00 1.00 C ATOM 257 O GLY A 972 67.079 -3.838 3.240 1.00 1.00 O ATOM 0 H GLY A 972 66.312 -7.775 4.825 1.00 1.00 H new ATOM 0 HA2 GLY A 972 67.660 -5.333 5.208 1.00 1.00 H new ATOM 0 HA3 GLY A 972 68.015 -6.548 3.996 1.00 1.00 H new ATOM 261 N VAL A 973 65.797 -5.519 2.490 1.00 1.00 N ATOM 262 CA VAL A 973 65.222 -4.731 1.410 1.00 1.00 C ATOM 263 C VAL A 973 64.452 -3.540 1.971 1.00 1.00 C ATOM 264 O VAL A 973 64.583 -2.420 1.477 1.00 1.00 O ATOM 265 CB VAL A 973 64.283 -5.600 0.569 1.00 1.00 C ATOM 266 CG1 VAL A 973 63.527 -4.720 -0.431 1.00 1.00 C ATOM 267 CG2 VAL A 973 65.097 -6.650 -0.191 1.00 1.00 C ATOM 0 H VAL A 973 65.458 -6.480 2.542 1.00 1.00 H new ATOM 0 HA VAL A 973 66.033 -4.363 0.781 1.00 1.00 H new ATOM 0 HB VAL A 973 63.570 -6.099 1.226 1.00 1.00 H new ATOM 0 HG11 VAL A 973 62.859 -5.340 -1.029 1.00 1.00 H new ATOM 0 HG12 VAL A 973 62.944 -3.974 0.109 1.00 1.00 H new ATOM 0 HG13 VAL A 973 64.240 -4.219 -1.086 1.00 1.00 H new ATOM 0 HG21 VAL A 973 64.427 -7.267 -0.789 1.00 1.00 H new ATOM 0 HG22 VAL A 973 65.812 -6.152 -0.846 1.00 1.00 H new ATOM 0 HG23 VAL A 973 65.633 -7.279 0.520 1.00 1.00 H new ATOM 277 N LEU A 974 63.644 -3.782 2.995 1.00 1.00 N ATOM 278 CA LEU A 974 62.859 -2.710 3.595 1.00 1.00 C ATOM 279 C LEU A 974 63.758 -1.635 4.215 1.00 1.00 C ATOM 280 O LEU A 974 63.497 -0.442 4.071 1.00 1.00 O ATOM 281 CB LEU A 974 61.937 -3.287 4.673 1.00 1.00 C ATOM 282 CG LEU A 974 60.841 -4.138 4.018 1.00 1.00 C ATOM 283 CD1 LEU A 974 60.073 -4.896 5.101 1.00 1.00 C ATOM 284 CD2 LEU A 974 59.866 -3.247 3.235 1.00 1.00 C ATOM 0 H LEU A 974 63.515 -4.699 3.423 1.00 1.00 H new ATOM 0 HA LEU A 974 62.267 -2.245 2.806 1.00 1.00 H new ATOM 0 HB2 LEU A 974 62.514 -3.894 5.371 1.00 1.00 H new ATOM 0 HB3 LEU A 974 61.487 -2.479 5.250 1.00 1.00 H new ATOM 0 HG LEU A 974 61.307 -4.842 3.329 1.00 1.00 H new ATOM 0 HD11 LEU A 974 59.294 -5.501 4.638 1.00 1.00 H new ATOM 0 HD12 LEU A 974 60.759 -5.543 5.648 1.00 1.00 H new ATOM 0 HD13 LEU A 974 59.618 -4.184 5.790 1.00 1.00 H new ATOM 0 HD21 LEU A 974 59.095 -3.866 2.777 1.00 1.00 H new ATOM 0 HD22 LEU A 974 59.401 -2.532 3.914 1.00 1.00 H new ATOM 0 HD23 LEU A 974 60.409 -2.709 2.458 1.00 1.00 H new ATOM 296 N GLY A 975 64.811 -2.064 4.910 1.00 1.00 N ATOM 297 CA GLY A 975 65.724 -1.123 5.553 1.00 1.00 C ATOM 298 C GLY A 975 66.469 -0.266 4.533 1.00 1.00 C ATOM 299 O GLY A 975 66.572 0.947 4.694 1.00 1.00 O ATOM 0 H GLY A 975 65.051 -3.047 5.041 1.00 1.00 H new ATOM 0 HA2 GLY A 975 65.163 -0.478 6.229 1.00 1.00 H new ATOM 0 HA3 GLY A 975 66.443 -1.672 6.160 1.00 1.00 H new ATOM 303 N GLY A 976 66.972 -0.899 3.483 1.00 1.00 N ATOM 304 CA GLY A 976 67.694 -0.169 2.447 1.00 1.00 C ATOM 305 C GLY A 976 66.791 0.869 1.777 1.00 1.00 C ATOM 306 O GLY A 976 67.209 1.999 1.520 1.00 1.00 O ATOM 0 H GLY A 976 66.896 -1.904 3.325 1.00 1.00 H new ATOM 0 HA2 GLY A 976 68.562 0.326 2.883 1.00 1.00 H new ATOM 0 HA3 GLY A 976 68.069 -0.868 1.699 1.00 1.00 H new ATOM 310 N LEU A 977 65.554 0.485 1.501 1.00 1.00 N ATOM 311 CA LEU A 977 64.593 1.404 0.868 1.00 1.00 C ATOM 312 C LEU A 977 64.304 2.606 1.781 1.00 1.00 C ATOM 313 O LEU A 977 64.205 3.738 1.308 1.00 1.00 O ATOM 314 CB LEU A 977 63.288 0.653 0.561 1.00 1.00 C ATOM 315 CG LEU A 977 62.259 1.601 -0.079 1.00 1.00 C ATOM 316 CD1 LEU A 977 62.836 2.212 -1.355 1.00 1.00 C ATOM 317 CD2 LEU A 977 60.989 0.824 -0.428 1.00 1.00 C ATOM 0 H LEU A 977 65.185 -0.445 1.699 1.00 1.00 H new ATOM 0 HA LEU A 977 65.026 1.776 -0.060 1.00 1.00 H new ATOM 0 HB2 LEU A 977 63.491 -0.181 -0.111 1.00 1.00 H new ATOM 0 HB3 LEU A 977 62.880 0.230 1.479 1.00 1.00 H new ATOM 0 HG LEU A 977 62.022 2.394 0.630 1.00 1.00 H new ATOM 0 HD11 LEU A 977 62.101 2.882 -1.802 1.00 1.00 H new ATOM 0 HD12 LEU A 977 63.739 2.773 -1.114 1.00 1.00 H new ATOM 0 HD13 LEU A 977 63.080 1.418 -2.061 1.00 1.00 H new ATOM 0 HD21 LEU A 977 60.263 1.499 -0.881 1.00 1.00 H new ATOM 0 HD22 LEU A 977 61.232 0.027 -1.131 1.00 1.00 H new ATOM 0 HD23 LEU A 977 60.566 0.392 0.479 1.00 1.00 H new ATOM 329 N LEU A 978 64.150 2.363 3.077 1.00 1.00 N ATOM 330 CA LEU A 978 63.857 3.464 4.006 1.00 1.00 C ATOM 331 C LEU A 978 65.009 4.484 4.012 1.00 1.00 C ATOM 332 O LEU A 978 64.770 5.693 4.012 1.00 1.00 O ATOM 333 CB LEU A 978 63.640 2.909 5.418 1.00 1.00 C ATOM 334 CG LEU A 978 63.348 4.052 6.410 1.00 1.00 C ATOM 335 CD1 LEU A 978 62.113 4.831 5.957 1.00 1.00 C ATOM 336 CD2 LEU A 978 63.087 3.466 7.804 1.00 1.00 C ATOM 0 H LEU A 978 64.219 1.441 3.507 1.00 1.00 H new ATOM 0 HA LEU A 978 62.949 3.969 3.676 1.00 1.00 H new ATOM 0 HB2 LEU A 978 62.810 2.203 5.414 1.00 1.00 H new ATOM 0 HB3 LEU A 978 64.525 2.359 5.739 1.00 1.00 H new ATOM 0 HG LEU A 978 64.208 4.721 6.444 1.00 1.00 H new ATOM 0 HD11 LEU A 978 61.912 5.637 6.663 1.00 1.00 H new ATOM 0 HD12 LEU A 978 62.291 5.251 4.967 1.00 1.00 H new ATOM 0 HD13 LEU A 978 61.254 4.161 5.918 1.00 1.00 H new ATOM 0 HD21 LEU A 978 62.881 4.274 8.506 1.00 1.00 H new ATOM 0 HD22 LEU A 978 62.230 2.794 7.762 1.00 1.00 H new ATOM 0 HD23 LEU A 978 63.965 2.913 8.136 1.00 1.00 H new ATOM 348 N LEU A 979 66.241 3.992 4.016 1.00 1.00 N ATOM 349 CA LEU A 979 67.385 4.906 4.018 1.00 1.00 C ATOM 350 C LEU A 979 67.375 5.761 2.747 1.00 1.00 C ATOM 351 O LEU A 979 67.621 6.968 2.815 1.00 1.00 O ATOM 352 CB LEU A 979 68.705 4.115 4.123 1.00 1.00 C ATOM 353 CG LEU A 979 69.075 3.843 5.594 1.00 1.00 C ATOM 354 CD1 LEU A 979 69.714 5.088 6.215 1.00 1.00 C ATOM 355 CD2 LEU A 979 67.848 3.442 6.431 1.00 1.00 C ATOM 0 H LEU A 979 66.475 2.999 4.018 1.00 1.00 H new ATOM 0 HA LEU A 979 67.308 5.563 4.884 1.00 1.00 H new ATOM 0 HB2 LEU A 979 68.609 3.170 3.588 1.00 1.00 H new ATOM 0 HB3 LEU A 979 69.507 4.674 3.641 1.00 1.00 H new ATOM 0 HG LEU A 979 69.781 3.013 5.600 1.00 1.00 H new ATOM 0 HD11 LEU A 979 69.972 4.885 7.254 1.00 1.00 H new ATOM 0 HD12 LEU A 979 70.616 5.348 5.662 1.00 1.00 H new ATOM 0 HD13 LEU A 979 69.010 5.919 6.171 1.00 1.00 H new ATOM 0 HD21 LEU A 979 68.154 3.260 7.461 1.00 1.00 H new ATOM 0 HD22 LEU A 979 67.113 4.247 6.408 1.00 1.00 H new ATOM 0 HD23 LEU A 979 67.406 2.535 6.018 1.00 1.00 H new ATOM 367 N LEU A 980 67.070 5.160 1.602 1.00 1.00 N ATOM 368 CA LEU A 980 67.033 5.930 0.356 1.00 1.00 C ATOM 369 C LEU A 980 65.997 7.043 0.430 1.00 1.00 C ATOM 370 O LEU A 980 66.245 8.151 -0.045 1.00 1.00 O ATOM 371 CB LEU A 980 66.652 5.041 -0.825 1.00 1.00 C ATOM 372 CG LEU A 980 67.788 4.082 -1.171 1.00 1.00 C ATOM 373 CD1 LEU A 980 67.326 3.057 -2.216 1.00 1.00 C ATOM 374 CD2 LEU A 980 68.973 4.872 -1.729 1.00 1.00 C ATOM 0 H LEU A 980 66.850 4.169 1.506 1.00 1.00 H new ATOM 0 HA LEU A 980 68.031 6.346 0.218 1.00 1.00 H new ATOM 0 HB2 LEU A 980 65.753 4.474 -0.584 1.00 1.00 H new ATOM 0 HB3 LEU A 980 66.416 5.660 -1.691 1.00 1.00 H new ATOM 0 HG LEU A 980 68.087 3.554 -0.265 1.00 1.00 H new ATOM 0 HD11 LEU A 980 68.148 2.381 -2.451 1.00 1.00 H new ATOM 0 HD12 LEU A 980 66.488 2.484 -1.818 1.00 1.00 H new ATOM 0 HD13 LEU A 980 67.013 3.577 -3.122 1.00 1.00 H new ATOM 0 HD21 LEU A 980 69.784 4.186 -1.976 1.00 1.00 H new ATOM 0 HD22 LEU A 980 68.664 5.406 -2.627 1.00 1.00 H new ATOM 0 HD23 LEU A 980 69.318 5.587 -0.982 1.00 1.00 H new ATOM 386 N THR A 981 64.844 6.750 1.004 1.00 1.00 N ATOM 387 CA THR A 981 63.794 7.757 1.104 1.00 1.00 C ATOM 388 C THR A 981 64.270 8.998 1.913 1.00 1.00 C ATOM 389 O THR A 981 64.066 10.160 1.491 1.00 1.00 O ATOM 390 CB THR A 981 62.569 7.158 1.823 1.00 1.00 C ATOM 391 OG1 THR A 981 62.216 5.901 1.250 1.00 1.00 O ATOM 392 CG2 THR A 981 61.390 8.136 1.728 1.00 1.00 C ATOM 0 H THR A 981 64.610 5.841 1.403 1.00 1.00 H new ATOM 0 HA THR A 981 63.539 8.068 0.091 1.00 1.00 H new ATOM 0 HB THR A 981 62.818 6.995 2.872 1.00 1.00 H new ATOM 0 HG1 THR A 981 62.899 5.235 1.476 1.00 1.00 H new ATOM 0 HG21 THR A 981 60.524 7.712 2.236 1.00 1.00 H new ATOM 0 HG22 THR A 981 61.662 9.080 2.200 1.00 1.00 H new ATOM 0 HG23 THR A 981 61.146 8.311 0.680 1.00 1.00 H new ATOM 400 N ILE A 982 64.927 8.756 3.066 1.00 1.00 N ATOM 401 CA ILE A 982 65.388 9.885 3.903 1.00 1.00 C ATOM 402 C ILE A 982 66.434 10.744 3.161 1.00 1.00 C ATOM 403 O ILE A 982 66.312 11.973 3.115 1.00 1.00 O ATOM 404 CB ILE A 982 66.014 9.349 5.216 1.00 1.00 C ATOM 405 CG1 ILE A 982 64.918 8.672 6.079 1.00 1.00 C ATOM 406 CG2 ILE A 982 66.662 10.518 5.962 1.00 1.00 C ATOM 407 CD1 ILE A 982 65.531 7.847 7.242 1.00 1.00 C ATOM 0 H ILE A 982 65.144 7.828 3.429 1.00 1.00 H new ATOM 0 HA ILE A 982 64.522 10.507 4.128 1.00 1.00 H new ATOM 0 HB ILE A 982 66.777 8.602 4.997 1.00 1.00 H new ATOM 0 HG12 ILE A 982 64.252 9.434 6.485 1.00 1.00 H new ATOM 0 HG13 ILE A 982 64.311 8.020 5.451 1.00 1.00 H new ATOM 0 HG21 ILE A 982 67.107 10.156 6.889 1.00 1.00 H new ATOM 0 HG22 ILE A 982 67.436 10.964 5.337 1.00 1.00 H new ATOM 0 HG23 ILE A 982 65.905 11.268 6.192 1.00 1.00 H new ATOM 0 HD11 ILE A 982 64.731 7.388 7.824 1.00 1.00 H new ATOM 0 HD12 ILE A 982 66.176 7.069 6.835 1.00 1.00 H new ATOM 0 HD13 ILE A 982 66.116 8.504 7.885 1.00 1.00 H new ATOM 419 N LEU A 983 67.452 10.109 2.544 1.00 1.00 N ATOM 420 CA LEU A 983 68.457 10.883 1.813 1.00 1.00 C ATOM 421 C LEU A 983 67.834 11.674 0.666 1.00 1.00 C ATOM 422 O LEU A 983 68.184 12.835 0.466 1.00 1.00 O ATOM 423 CB LEU A 983 69.549 9.960 1.267 1.00 1.00 C ATOM 424 CG LEU A 983 70.617 9.725 2.343 1.00 1.00 C ATOM 425 CD1 LEU A 983 70.019 9.046 3.572 1.00 1.00 C ATOM 426 CD2 LEU A 983 71.714 8.834 1.750 1.00 1.00 C ATOM 0 H LEU A 983 67.592 9.099 2.539 1.00 1.00 H new ATOM 0 HA LEU A 983 68.897 11.591 2.516 1.00 1.00 H new ATOM 0 HB2 LEU A 983 69.114 9.009 0.960 1.00 1.00 H new ATOM 0 HB3 LEU A 983 70.004 10.404 0.381 1.00 1.00 H new ATOM 0 HG LEU A 983 71.027 10.686 2.654 1.00 1.00 H new ATOM 0 HD11 LEU A 983 70.799 8.892 4.318 1.00 1.00 H new ATOM 0 HD12 LEU A 983 69.235 9.677 3.991 1.00 1.00 H new ATOM 0 HD13 LEU A 983 69.595 8.083 3.286 1.00 1.00 H new ATOM 0 HD21 LEU A 983 72.483 8.656 2.501 1.00 1.00 H new ATOM 0 HD22 LEU A 983 71.282 7.883 1.440 1.00 1.00 H new ATOM 0 HD23 LEU A 983 72.158 9.329 0.887 1.00 1.00 H new ATOM 438 N VAL A 984 66.917 11.069 -0.090 1.00 1.00 N ATOM 439 CA VAL A 984 66.304 11.794 -1.205 1.00 1.00 C ATOM 440 C VAL A 984 65.551 13.033 -0.720 1.00 1.00 C ATOM 441 O VAL A 984 65.703 14.129 -1.269 1.00 1.00 O ATOM 442 CB VAL A 984 65.349 10.869 -1.937 1.00 1.00 C ATOM 443 CG1 VAL A 984 64.532 11.675 -2.958 1.00 1.00 C ATOM 444 CG2 VAL A 984 66.191 9.803 -2.641 1.00 1.00 C ATOM 0 H VAL A 984 66.590 10.112 0.041 1.00 1.00 H new ATOM 0 HA VAL A 984 67.096 12.125 -1.877 1.00 1.00 H new ATOM 0 HB VAL A 984 64.651 10.398 -1.245 1.00 1.00 H new ATOM 0 HG11 VAL A 984 63.847 11.009 -3.483 1.00 1.00 H new ATOM 0 HG12 VAL A 984 63.963 12.447 -2.440 1.00 1.00 H new ATOM 0 HG13 VAL A 984 65.206 12.142 -3.676 1.00 1.00 H new ATOM 0 HG21 VAL A 984 65.535 9.118 -3.179 1.00 1.00 H new ATOM 0 HG22 VAL A 984 66.871 10.283 -3.345 1.00 1.00 H new ATOM 0 HG23 VAL A 984 66.767 9.247 -1.901 1.00 1.00 H new ATOM 454 N LEU A 985 64.743 12.859 0.321 1.00 1.00 N ATOM 455 CA LEU A 985 63.976 13.990 0.870 1.00 1.00 C ATOM 456 C LEU A 985 64.926 15.066 1.391 1.00 1.00 C ATOM 457 O LEU A 985 64.689 16.260 1.177 1.00 1.00 O ATOM 458 CB LEU A 985 63.072 13.507 2.022 1.00 1.00 C ATOM 459 CG LEU A 985 61.972 12.600 1.460 1.00 1.00 C ATOM 460 CD1 LEU A 985 61.208 11.933 2.604 1.00 1.00 C ATOM 461 CD2 LEU A 985 60.989 13.406 0.590 1.00 1.00 C ATOM 0 H LEU A 985 64.598 11.969 0.798 1.00 1.00 H new ATOM 0 HA LEU A 985 63.358 14.408 0.076 1.00 1.00 H new ATOM 0 HB2 LEU A 985 63.663 12.965 2.760 1.00 1.00 H new ATOM 0 HB3 LEU A 985 62.628 14.361 2.533 1.00 1.00 H new ATOM 0 HG LEU A 985 62.444 11.837 0.841 1.00 1.00 H new ATOM 0 HD11 LEU A 985 60.428 11.290 2.195 1.00 1.00 H new ATOM 0 HD12 LEU A 985 61.896 11.334 3.200 1.00 1.00 H new ATOM 0 HD13 LEU A 985 60.754 12.698 3.233 1.00 1.00 H new ATOM 0 HD21 LEU A 985 60.217 12.741 0.202 1.00 1.00 H new ATOM 0 HD22 LEU A 985 60.526 14.187 1.193 1.00 1.00 H new ATOM 0 HD23 LEU A 985 61.528 13.861 -0.241 1.00 1.00 H new ATOM 473 N ALA A 986 66.001 14.658 2.092 1.00 1.00 N ATOM 474 CA ALA A 986 66.942 15.643 2.640 1.00 1.00 C ATOM 475 C ALA A 986 67.613 16.476 1.534 1.00 1.00 C ATOM 476 O ALA A 986 67.761 17.694 1.665 1.00 1.00 O ATOM 477 CB ALA A 986 68.020 14.940 3.463 1.00 1.00 C ATOM 0 H ALA A 986 66.232 13.684 2.286 1.00 1.00 H new ATOM 0 HA ALA A 986 66.368 16.319 3.274 1.00 1.00 H new ATOM 0 HB1 ALA A 986 68.712 15.680 3.864 1.00 1.00 H new ATOM 0 HB2 ALA A 986 67.554 14.396 4.285 1.00 1.00 H new ATOM 0 HB3 ALA A 986 68.564 14.241 2.828 1.00 1.00 H new ATOM 483 N MET A 987 68.029 15.816 0.459 1.00 1.00 N ATOM 484 CA MET A 987 68.696 16.507 -0.644 1.00 1.00 C ATOM 485 C MET A 987 67.754 17.482 -1.356 1.00 1.00 C ATOM 486 O MET A 987 68.142 18.602 -1.689 1.00 1.00 O ATOM 487 CB MET A 987 69.229 15.477 -1.636 1.00 1.00 C ATOM 488 CG MET A 987 70.387 14.713 -0.996 1.00 1.00 C ATOM 489 SD MET A 987 70.962 13.425 -2.136 1.00 1.00 S ATOM 490 CE MET A 987 71.730 14.507 -3.366 1.00 1.00 C ATOM 0 H MET A 987 67.919 14.811 0.326 1.00 1.00 H new ATOM 0 HA MET A 987 69.520 17.090 -0.232 1.00 1.00 H new ATOM 0 HB2 MET A 987 68.436 14.786 -1.922 1.00 1.00 H new ATOM 0 HB3 MET A 987 69.564 15.972 -2.547 1.00 1.00 H new ATOM 0 HG2 MET A 987 71.203 15.397 -0.761 1.00 1.00 H new ATOM 0 HG3 MET A 987 70.066 14.265 -0.056 1.00 1.00 H new ATOM 0 HE1 MET A 987 72.318 13.908 -4.061 1.00 1.00 H new ATOM 0 HE2 MET A 987 70.955 15.042 -3.914 1.00 1.00 H new ATOM 0 HE3 MET A 987 72.381 15.224 -2.865 1.00 1.00 H new ATOM 500 N TRP A 988 66.519 17.047 -1.570 1.00 1.00 N ATOM 501 CA TRP A 988 65.521 17.892 -2.225 1.00 1.00 C ATOM 502 C TRP A 988 65.268 19.125 -1.361 1.00 1.00 C ATOM 503 O TRP A 988 65.168 20.236 -1.876 1.00 1.00 O ATOM 504 CB TRP A 988 64.210 17.111 -2.419 1.00 1.00 C ATOM 505 CG TRP A 988 63.099 18.050 -2.786 1.00 1.00 C ATOM 506 CD1 TRP A 988 63.243 19.195 -3.499 1.00 1.00 C ATOM 507 CD2 TRP A 988 61.678 17.944 -2.470 1.00 1.00 C ATOM 508 NE1 TRP A 988 61.999 19.790 -3.646 1.00 1.00 N ATOM 509 CE2 TRP A 988 61.006 19.059 -3.028 1.00 1.00 C ATOM 510 CE3 TRP A 988 60.915 16.998 -1.764 1.00 1.00 C ATOM 511 CZ2 TRP A 988 59.626 19.226 -2.890 1.00 1.00 C ATOM 512 CZ3 TRP A 988 59.527 17.164 -1.623 1.00 1.00 C ATOM 513 CH2 TRP A 988 58.884 18.275 -2.185 1.00 1.00 C ATOM 0 H TRP A 988 66.183 16.122 -1.303 1.00 1.00 H new ATOM 0 HA TRP A 988 65.891 18.198 -3.203 1.00 1.00 H new ATOM 0 HB2 TRP A 988 64.336 16.362 -3.201 1.00 1.00 H new ATOM 0 HB3 TRP A 988 63.957 16.577 -1.503 1.00 1.00 H new ATOM 0 HD1 TRP A 988 64.174 19.580 -3.888 1.00 1.00 H new ATOM 0 HE1 TRP A 988 61.838 20.662 -4.150 1.00 1.00 H new ATOM 0 HE3 TRP A 988 61.399 16.137 -1.327 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 59.136 20.084 -3.325 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 58.952 16.430 -1.078 1.00 1.00 H new ATOM 0 HH2 TRP A 988 57.817 18.396 -2.073 1.00 1.00 H new ATOM 524 N LYS A 989 65.143 18.934 -0.057 1.00 1.00 N ATOM 525 CA LYS A 989 64.875 20.048 0.842 1.00 1.00 C ATOM 526 C LYS A 989 66.002 21.069 0.792 1.00 1.00 C ATOM 527 O LYS A 989 65.780 22.272 0.948 1.00 1.00 O ATOM 528 CB LYS A 989 64.713 19.546 2.281 1.00 1.00 C ATOM 529 CG LYS A 989 64.295 20.711 3.183 1.00 1.00 C ATOM 530 CD LYS A 989 64.063 20.195 4.606 1.00 1.00 C ATOM 531 CE LYS A 989 63.615 21.348 5.506 1.00 1.00 C ATOM 532 NZ LYS A 989 63.374 20.838 6.884 1.00 1.00 N ATOM 0 H LYS A 989 65.222 18.026 0.401 1.00 1.00 H new ATOM 0 HA LYS A 989 63.950 20.524 0.516 1.00 1.00 H new ATOM 0 HB2 LYS A 989 63.964 18.755 2.320 1.00 1.00 H new ATOM 0 HB3 LYS A 989 65.650 19.116 2.635 1.00 1.00 H new ATOM 0 HG2 LYS A 989 65.068 21.480 3.185 1.00 1.00 H new ATOM 0 HG3 LYS A 989 63.386 21.174 2.800 1.00 1.00 H new ATOM 0 HD2 LYS A 989 63.306 19.411 4.600 1.00 1.00 H new ATOM 0 HD3 LYS A 989 64.979 19.751 4.996 1.00 1.00 H new ATOM 0 HE2 LYS A 989 64.377 22.127 5.523 1.00 1.00 H new ATOM 0 HE3 LYS A 989 62.706 21.800 5.110 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 63.069 21.622 7.496 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 62.632 20.109 6.860 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 64.252 20.426 7.260 1.00 1.00 H new ATOM 546 N VAL A 990 67.217 20.571 0.588 1.00 1.00 N ATOM 547 CA VAL A 990 68.386 21.438 0.534 1.00 1.00 C ATOM 548 C VAL A 990 68.442 22.136 -0.809 1.00 1.00 C ATOM 549 O VAL A 990 69.317 22.968 -1.053 1.00 1.00 O ATOM 550 CB VAL A 990 69.661 20.621 0.744 1.00 1.00 C ATOM 551 CG1 VAL A 990 70.881 21.546 0.721 1.00 1.00 C ATOM 552 CG2 VAL A 990 69.597 19.911 2.098 1.00 1.00 C ATOM 0 H VAL A 990 67.416 19.579 0.458 1.00 1.00 H new ATOM 0 HA VAL A 990 68.310 22.182 1.327 1.00 1.00 H new ATOM 0 HB VAL A 990 69.747 19.885 -0.055 1.00 1.00 H new ATOM 0 HG11 VAL A 990 71.786 20.958 0.871 1.00 1.00 H new ATOM 0 HG12 VAL A 990 70.934 22.054 -0.242 1.00 1.00 H new ATOM 0 HG13 VAL A 990 70.792 22.285 1.517 1.00 1.00 H new ATOM 0 HG21 VAL A 990 70.506 19.329 2.247 1.00 1.00 H new ATOM 0 HG22 VAL A 990 69.506 20.651 2.893 1.00 1.00 H new ATOM 0 HG23 VAL A 990 68.733 19.247 2.120 1.00 1.00 H new ATOM 562 N GLY A 991 67.500 21.807 -1.677 1.00 1.00 N ATOM 563 CA GLY A 991 67.445 22.415 -2.985 1.00 1.00 C ATOM 564 C GLY A 991 68.522 21.834 -3.863 1.00 1.00 C ATOM 565 O GLY A 991 68.748 22.326 -4.969 1.00 1.00 O ATOM 0 H GLY A 991 66.766 21.122 -1.495 1.00 1.00 H new ATOM 0 HA2 GLY A 991 66.466 22.246 -3.434 1.00 1.00 H new ATOM 0 HA3 GLY A 991 67.575 23.494 -2.900 1.00 1.00 H new ATOM 569 N PHE A 992 69.212 20.812 -3.382 1.00 1.00 N ATOM 570 CA PHE A 992 70.289 20.217 -4.148 1.00 1.00 C ATOM 571 C PHE A 992 69.740 19.787 -5.511 1.00 1.00 C ATOM 572 O PHE A 992 70.332 20.067 -6.553 1.00 1.00 O ATOM 573 CB PHE A 992 70.829 18.994 -3.380 1.00 1.00 C ATOM 574 CG PHE A 992 72.291 18.694 -3.704 1.00 1.00 C ATOM 575 CD1 PHE A 992 72.884 19.076 -4.924 1.00 1.00 C ATOM 576 CD2 PHE A 992 73.064 18.018 -2.749 1.00 1.00 C ATOM 577 CE1 PHE A 992 74.231 18.781 -5.174 1.00 1.00 C ATOM 578 CE2 PHE A 992 74.410 17.725 -3.005 1.00 1.00 C ATOM 579 CZ PHE A 992 74.993 18.107 -4.215 1.00 1.00 C ATOM 0 H PHE A 992 69.046 20.382 -2.472 1.00 1.00 H new ATOM 0 HA PHE A 992 71.099 20.932 -4.295 1.00 1.00 H new ATOM 0 HB2 PHE A 992 70.727 19.168 -2.309 1.00 1.00 H new ATOM 0 HB3 PHE A 992 70.221 18.122 -3.620 1.00 1.00 H new ATOM 0 HD1 PHE A 992 72.299 19.597 -5.668 1.00 1.00 H new ATOM 0 HD2 PHE A 992 72.619 17.721 -1.811 1.00 1.00 H new ATOM 0 HE1 PHE A 992 74.682 19.075 -6.110 1.00 1.00 H new ATOM 0 HE2 PHE A 992 74.998 17.203 -2.265 1.00 1.00 H new ATOM 0 HZ PHE A 992 76.031 17.882 -4.410 1.00 1.00 H new ATOM 589 N PHE A 993 68.569 19.143 -5.511 1.00 1.00 N ATOM 590 CA PHE A 993 67.965 18.733 -6.777 1.00 1.00 C ATOM 591 C PHE A 993 67.184 19.885 -7.418 1.00 1.00 C ATOM 592 O PHE A 993 66.914 19.857 -8.619 1.00 1.00 O ATOM 593 CB PHE A 993 67.036 17.535 -6.595 1.00 1.00 C ATOM 594 CG PHE A 993 67.849 16.278 -6.402 1.00 1.00 C ATOM 595 CD1 PHE A 993 68.604 15.770 -7.466 1.00 1.00 C ATOM 596 CD2 PHE A 993 67.834 15.611 -5.172 1.00 1.00 C ATOM 597 CE1 PHE A 993 69.347 14.596 -7.299 1.00 1.00 C ATOM 598 CE2 PHE A 993 68.579 14.438 -5.003 1.00 1.00 C ATOM 599 CZ PHE A 993 69.336 13.930 -6.067 1.00 1.00 C ATOM 0 H PHE A 993 68.036 18.901 -4.676 1.00 1.00 H new ATOM 0 HA PHE A 993 68.784 18.445 -7.436 1.00 1.00 H new ATOM 0 HB2 PHE A 993 66.387 17.695 -5.734 1.00 1.00 H new ATOM 0 HB3 PHE A 993 66.389 17.430 -7.466 1.00 1.00 H new ATOM 0 HD1 PHE A 993 68.613 16.284 -8.416 1.00 1.00 H new ATOM 0 HD2 PHE A 993 67.248 16.001 -4.353 1.00 1.00 H new ATOM 0 HE1 PHE A 993 69.929 14.204 -8.120 1.00 1.00 H new ATOM 0 HE2 PHE A 993 68.570 13.925 -4.053 1.00 1.00 H new ATOM 0 HZ PHE A 993 69.911 13.025 -5.937 1.00 1.00 H new ATOM 804 N ASP B 692 77.101 -15.807 7.237 1.00 1.00 N ATOM 805 CA ASP B 692 76.401 -15.215 8.371 1.00 1.00 C ATOM 806 C ASP B 692 75.173 -14.429 7.915 1.00 1.00 C ATOM 807 O ASP B 692 75.201 -13.731 6.900 1.00 1.00 O ATOM 808 CB ASP B 692 77.345 -14.280 9.134 1.00 1.00 C ATOM 809 CG ASP B 692 78.270 -15.080 10.050 1.00 1.00 C ATOM 810 OD1 ASP B 692 78.086 -16.282 10.151 1.00 1.00 O ATOM 811 OD2 ASP B 692 79.156 -14.477 10.635 1.00 1.00 O ATOM 0 HA ASP B 692 76.072 -16.025 9.022 1.00 1.00 H new ATOM 0 HB2 ASP B 692 77.938 -13.698 8.428 1.00 1.00 H new ATOM 0 HB3 ASP B 692 76.765 -13.571 9.724 1.00 1.00 H new ATOM 816 N ILE B 693 74.090 -14.578 8.668 1.00 1.00 N ATOM 817 CA ILE B 693 72.828 -13.918 8.352 1.00 1.00 C ATOM 818 C ILE B 693 72.953 -12.399 8.398 1.00 1.00 C ATOM 819 O ILE B 693 72.436 -11.701 7.524 1.00 1.00 O ATOM 820 CB ILE B 693 71.753 -14.358 9.346 1.00 1.00 C ATOM 821 CG1 ILE B 693 71.409 -15.834 9.120 1.00 1.00 C ATOM 822 CG2 ILE B 693 70.501 -13.506 9.151 1.00 1.00 C ATOM 823 CD1 ILE B 693 70.559 -16.345 10.284 1.00 1.00 C ATOM 0 H ILE B 693 74.060 -15.155 9.509 1.00 1.00 H new ATOM 0 HA ILE B 693 72.552 -14.207 7.338 1.00 1.00 H new ATOM 0 HB ILE B 693 72.128 -14.229 10.361 1.00 1.00 H new ATOM 0 HG12 ILE B 693 70.868 -15.952 8.181 1.00 1.00 H new ATOM 0 HG13 ILE B 693 72.323 -16.423 9.037 1.00 1.00 H new ATOM 0 HG21 ILE B 693 69.734 -13.819 9.859 1.00 1.00 H new ATOM 0 HG22 ILE B 693 70.745 -12.457 9.320 1.00 1.00 H new ATOM 0 HG23 ILE B 693 70.129 -13.633 8.134 1.00 1.00 H new ATOM 0 HD11 ILE B 693 70.315 -17.395 10.123 1.00 1.00 H new ATOM 0 HD12 ILE B 693 71.117 -16.241 11.215 1.00 1.00 H new ATOM 0 HD13 ILE B 693 69.639 -15.764 10.345 1.00 1.00 H new ATOM 835 N LEU B 694 73.630 -11.884 9.418 1.00 1.00 N ATOM 836 CA LEU B 694 73.794 -10.441 9.555 1.00 1.00 C ATOM 837 C LEU B 694 74.574 -9.874 8.375 1.00 1.00 C ATOM 838 O LEU B 694 74.240 -8.812 7.854 1.00 1.00 O ATOM 839 CB LEU B 694 74.532 -10.122 10.859 1.00 1.00 C ATOM 840 CG LEU B 694 73.627 -10.441 12.056 1.00 1.00 C ATOM 841 CD1 LEU B 694 74.438 -10.339 13.350 1.00 1.00 C ATOM 842 CD2 LEU B 694 72.453 -9.455 12.115 1.00 1.00 C ATOM 0 H LEU B 694 74.070 -12.436 10.154 1.00 1.00 H new ATOM 0 HA LEU B 694 72.805 -9.982 9.574 1.00 1.00 H new ATOM 0 HB2 LEU B 694 75.451 -10.705 10.920 1.00 1.00 H new ATOM 0 HB3 LEU B 694 74.819 -9.071 10.878 1.00 1.00 H new ATOM 0 HG LEU B 694 73.236 -11.452 11.942 1.00 1.00 H new ATOM 0 HD11 LEU B 694 73.796 -10.566 14.201 1.00 1.00 H new ATOM 0 HD12 LEU B 694 75.263 -11.050 13.319 1.00 1.00 H new ATOM 0 HD13 LEU B 694 74.833 -9.328 13.453 1.00 1.00 H new ATOM 0 HD21 LEU B 694 71.820 -9.694 12.969 1.00 1.00 H new ATOM 0 HD22 LEU B 694 72.835 -8.440 12.220 1.00 1.00 H new ATOM 0 HD23 LEU B 694 71.869 -9.530 11.198 1.00 1.00 H new ATOM 854 N VAL B 695 75.617 -10.583 7.966 1.00 1.00 N ATOM 855 CA VAL B 695 76.448 -10.133 6.853 1.00 1.00 C ATOM 856 C VAL B 695 75.640 -10.040 5.558 1.00 1.00 C ATOM 857 O VAL B 695 75.734 -9.050 4.829 1.00 1.00 O ATOM 858 CB VAL B 695 77.618 -11.097 6.655 1.00 1.00 C ATOM 859 CG1 VAL B 695 78.357 -10.747 5.363 1.00 1.00 C ATOM 860 CG2 VAL B 695 78.580 -10.978 7.840 1.00 1.00 C ATOM 0 H VAL B 695 75.908 -11.467 8.384 1.00 1.00 H new ATOM 0 HA VAL B 695 76.824 -9.139 7.095 1.00 1.00 H new ATOM 0 HB VAL B 695 77.241 -12.118 6.591 1.00 1.00 H new ATOM 0 HG11 VAL B 695 79.191 -11.435 5.223 1.00 1.00 H new ATOM 0 HG12 VAL B 695 77.673 -10.830 4.519 1.00 1.00 H new ATOM 0 HG13 VAL B 695 78.735 -9.727 5.425 1.00 1.00 H new ATOM 0 HG21 VAL B 695 79.415 -11.665 7.701 1.00 1.00 H new ATOM 0 HG22 VAL B 695 78.956 -9.957 7.902 1.00 1.00 H new ATOM 0 HG23 VAL B 695 78.055 -11.228 8.762 1.00 1.00 H new ATOM 870 N VAL B 696 74.844 -11.064 5.276 1.00 1.00 N ATOM 871 CA VAL B 696 74.031 -11.066 4.064 1.00 1.00 C ATOM 872 C VAL B 696 73.010 -9.931 4.094 1.00 1.00 C ATOM 873 O VAL B 696 72.815 -9.229 3.103 1.00 1.00 O ATOM 874 CB VAL B 696 73.303 -12.404 3.929 1.00 1.00 C ATOM 875 CG1 VAL B 696 72.295 -12.322 2.782 1.00 1.00 C ATOM 876 CG2 VAL B 696 74.319 -13.511 3.634 1.00 1.00 C ATOM 0 H VAL B 696 74.744 -11.894 5.861 1.00 1.00 H new ATOM 0 HA VAL B 696 74.691 -10.920 3.209 1.00 1.00 H new ATOM 0 HB VAL B 696 72.780 -12.628 4.859 1.00 1.00 H new ATOM 0 HG11 VAL B 696 71.776 -13.275 2.685 1.00 1.00 H new ATOM 0 HG12 VAL B 696 71.571 -11.534 2.989 1.00 1.00 H new ATOM 0 HG13 VAL B 696 72.819 -12.098 1.853 1.00 1.00 H new ATOM 0 HG21 VAL B 696 73.800 -14.465 3.538 1.00 1.00 H new ATOM 0 HG22 VAL B 696 74.842 -13.287 2.704 1.00 1.00 H new ATOM 0 HG23 VAL B 696 75.039 -13.571 4.450 1.00 1.00 H new ATOM 886 N LEU B 697 72.345 -9.771 5.229 1.00 1.00 N ATOM 887 CA LEU B 697 71.330 -8.732 5.363 1.00 1.00 C ATOM 888 C LEU B 697 71.928 -7.335 5.200 1.00 1.00 C ATOM 889 O LEU B 697 71.351 -6.480 4.527 1.00 1.00 O ATOM 890 CB LEU B 697 70.657 -8.848 6.735 1.00 1.00 C ATOM 891 CG LEU B 697 69.575 -7.764 6.881 1.00 1.00 C ATOM 892 CD1 LEU B 697 68.580 -8.194 7.957 1.00 1.00 C ATOM 893 CD2 LEU B 697 70.186 -6.407 7.274 1.00 1.00 C ATOM 0 H LEU B 697 72.486 -10.340 6.064 1.00 1.00 H new ATOM 0 HA LEU B 697 70.594 -8.875 4.572 1.00 1.00 H new ATOM 0 HB2 LEU B 697 70.212 -9.836 6.849 1.00 1.00 H new ATOM 0 HB3 LEU B 697 71.401 -8.741 7.525 1.00 1.00 H new ATOM 0 HG LEU B 697 69.076 -7.648 5.919 1.00 1.00 H new ATOM 0 HD11 LEU B 697 67.810 -7.431 8.066 1.00 1.00 H new ATOM 0 HD12 LEU B 697 68.117 -9.138 7.668 1.00 1.00 H new ATOM 0 HD13 LEU B 697 69.102 -8.321 8.905 1.00 1.00 H new ATOM 0 HD21 LEU B 697 69.393 -5.665 7.368 1.00 1.00 H new ATOM 0 HD22 LEU B 697 70.707 -6.505 8.226 1.00 1.00 H new ATOM 0 HD23 LEU B 697 70.891 -6.089 6.506 1.00 1.00 H new ATOM 905 N LEU B 698 73.085 -7.109 5.812 1.00 1.00 N ATOM 906 CA LEU B 698 73.745 -5.810 5.714 1.00 1.00 C ATOM 907 C LEU B 698 74.142 -5.523 4.275 1.00 1.00 C ATOM 908 O LEU B 698 73.980 -4.405 3.783 1.00 1.00 O ATOM 909 CB LEU B 698 74.985 -5.771 6.611 1.00 1.00 C ATOM 910 CG LEU B 698 74.556 -5.757 8.084 1.00 1.00 C ATOM 911 CD1 LEU B 698 75.780 -5.975 8.976 1.00 1.00 C ATOM 912 CD2 LEU B 698 73.907 -4.411 8.438 1.00 1.00 C ATOM 0 H LEU B 698 73.582 -7.799 6.376 1.00 1.00 H new ATOM 0 HA LEU B 698 73.043 -5.045 6.047 1.00 1.00 H new ATOM 0 HB2 LEU B 698 75.616 -6.638 6.414 1.00 1.00 H new ATOM 0 HB3 LEU B 698 75.580 -4.886 6.387 1.00 1.00 H new ATOM 0 HG LEU B 698 73.832 -6.556 8.246 1.00 1.00 H new ATOM 0 HD11 LEU B 698 75.474 -5.965 10.022 1.00 1.00 H new ATOM 0 HD12 LEU B 698 76.235 -6.937 8.740 1.00 1.00 H new ATOM 0 HD13 LEU B 698 76.504 -5.179 8.802 1.00 1.00 H new ATOM 0 HD21 LEU B 698 73.608 -4.416 9.486 1.00 1.00 H new ATOM 0 HD22 LEU B 698 74.623 -3.606 8.269 1.00 1.00 H new ATOM 0 HD23 LEU B 698 73.029 -4.254 7.811 1.00 1.00 H new ATOM 924 N SER B 699 74.661 -6.541 3.602 1.00 1.00 N ATOM 925 CA SER B 699 75.080 -6.396 2.218 1.00 1.00 C ATOM 926 C SER B 699 73.897 -6.033 1.322 1.00 1.00 C ATOM 927 O SER B 699 74.039 -5.245 0.387 1.00 1.00 O ATOM 928 CB SER B 699 75.721 -7.699 1.753 1.00 1.00 C ATOM 929 OG SER B 699 74.816 -8.767 1.988 1.00 1.00 O ATOM 0 H SER B 699 74.801 -7.473 3.992 1.00 1.00 H new ATOM 0 HA SER B 699 75.806 -5.586 2.149 1.00 1.00 H new ATOM 0 HB2 SER B 699 75.967 -7.640 0.693 1.00 1.00 H new ATOM 0 HB3 SER B 699 76.655 -7.872 2.288 1.00 1.00 H new ATOM 0 HG SER B 699 74.032 -8.431 2.470 1.00 1.00 H new ATOM 935 N VAL B 700 72.727 -6.596 1.617 1.00 1.00 N ATOM 936 CA VAL B 700 71.531 -6.301 0.829 1.00 1.00 C ATOM 937 C VAL B 700 71.163 -4.828 0.965 1.00 1.00 C ATOM 938 O VAL B 700 70.860 -4.158 -0.017 1.00 1.00 O ATOM 939 CB VAL B 700 70.364 -7.167 1.306 1.00 1.00 C ATOM 940 CG1 VAL B 700 69.078 -6.712 0.614 1.00 1.00 C ATOM 941 CG2 VAL B 700 70.641 -8.629 0.954 1.00 1.00 C ATOM 0 H VAL B 700 72.581 -7.251 2.385 1.00 1.00 H new ATOM 0 HA VAL B 700 71.739 -6.522 -0.218 1.00 1.00 H new ATOM 0 HB VAL B 700 70.252 -7.067 2.386 1.00 1.00 H new ATOM 0 HG11 VAL B 700 68.245 -7.328 0.953 1.00 1.00 H new ATOM 0 HG12 VAL B 700 68.882 -5.669 0.861 1.00 1.00 H new ATOM 0 HG13 VAL B 700 69.190 -6.815 -0.465 1.00 1.00 H new ATOM 0 HG21 VAL B 700 69.811 -9.248 1.293 1.00 1.00 H new ATOM 0 HG22 VAL B 700 70.751 -8.729 -0.126 1.00 1.00 H new ATOM 0 HG23 VAL B 700 71.559 -8.953 1.444 1.00 1.00 H new ATOM 951 N MET B 701 71.209 -4.338 2.197 1.00 1.00 N ATOM 952 CA MET B 701 70.884 -2.939 2.458 1.00 1.00 C ATOM 953 C MET B 701 71.857 -2.029 1.722 1.00 1.00 C ATOM 954 O MET B 701 71.453 -1.014 1.157 1.00 1.00 O ATOM 955 CB MET B 701 70.905 -2.635 3.958 1.00 1.00 C ATOM 956 CG MET B 701 69.614 -3.143 4.601 1.00 1.00 C ATOM 957 SD MET B 701 69.705 -2.942 6.400 1.00 1.00 S ATOM 958 CE MET B 701 69.638 -1.133 6.447 1.00 1.00 C ATOM 0 H MET B 701 71.465 -4.879 3.023 1.00 1.00 H new ATOM 0 HA MET B 701 69.874 -2.752 2.092 1.00 1.00 H new ATOM 0 HB2 MET B 701 71.768 -3.111 4.424 1.00 1.00 H new ATOM 0 HB3 MET B 701 71.007 -1.562 4.121 1.00 1.00 H new ATOM 0 HG2 MET B 701 68.760 -2.593 4.207 1.00 1.00 H new ATOM 0 HG3 MET B 701 69.460 -4.193 4.350 1.00 1.00 H new ATOM 0 HE1 MET B 701 69.130 -0.811 7.356 1.00 1.00 H new ATOM 0 HE2 MET B 701 70.651 -0.731 6.436 1.00 1.00 H new ATOM 0 HE3 MET B 701 69.093 -0.766 5.577 1.00 1.00 H new ATOM 968 N GLY B 702 73.135 -2.402 1.695 1.00 1.00 N ATOM 969 CA GLY B 702 74.126 -1.607 0.983 1.00 1.00 C ATOM 970 C GLY B 702 73.827 -1.618 -0.515 1.00 1.00 C ATOM 971 O GLY B 702 73.935 -0.592 -1.186 1.00 1.00 O ATOM 0 H GLY B 702 73.502 -3.237 2.151 1.00 1.00 H new ATOM 0 HA2 GLY B 702 74.119 -0.583 1.356 1.00 1.00 H new ATOM 0 HA3 GLY B 702 75.124 -2.006 1.166 1.00 1.00 H new ATOM 975 N ALA B 703 73.461 -2.793 -1.033 1.00 1.00 N ATOM 976 CA ALA B 703 73.156 -2.935 -2.455 1.00 1.00 C ATOM 977 C ALA B 703 71.967 -2.060 -2.832 1.00 1.00 C ATOM 978 O ALA B 703 71.954 -1.440 -3.896 1.00 1.00 O ATOM 979 CB ALA B 703 72.847 -4.397 -2.780 1.00 1.00 C ATOM 0 H ALA B 703 73.370 -3.653 -0.492 1.00 1.00 H new ATOM 0 HA ALA B 703 74.024 -2.616 -3.031 1.00 1.00 H new ATOM 0 HB1 ALA B 703 72.621 -4.494 -3.842 1.00 1.00 H new ATOM 0 HB2 ALA B 703 73.711 -5.015 -2.535 1.00 1.00 H new ATOM 0 HB3 ALA B 703 71.988 -4.726 -2.195 1.00 1.00 H new ATOM 985 N ILE B 704 70.982 -1.990 -1.945 1.00 1.00 N ATOM 986 CA ILE B 704 69.823 -1.149 -2.211 1.00 1.00 C ATOM 987 C ILE B 704 70.267 0.298 -2.306 1.00 1.00 C ATOM 988 O ILE B 704 69.828 1.033 -3.191 1.00 1.00 O ATOM 989 CB ILE B 704 68.780 -1.256 -1.095 1.00 1.00 C ATOM 990 CG1 ILE B 704 68.118 -2.643 -1.069 1.00 1.00 C ATOM 991 CG2 ILE B 704 67.716 -0.174 -1.272 1.00 1.00 C ATOM 992 CD1 ILE B 704 67.460 -2.969 -2.419 1.00 1.00 C ATOM 0 H ILE B 704 70.961 -2.492 -1.057 1.00 1.00 H new ATOM 0 HA ILE B 704 69.375 -1.487 -3.145 1.00 1.00 H new ATOM 0 HB ILE B 704 69.293 -1.113 -0.144 1.00 1.00 H new ATOM 0 HG12 ILE B 704 68.865 -3.401 -0.833 1.00 1.00 H new ATOM 0 HG13 ILE B 704 67.368 -2.677 -0.278 1.00 1.00 H new ATOM 0 HG21 ILE B 704 66.977 -0.256 -0.475 1.00 1.00 H new ATOM 0 HG22 ILE B 704 68.186 0.809 -1.231 1.00 1.00 H new ATOM 0 HG23 ILE B 704 67.224 -0.301 -2.236 1.00 1.00 H new ATOM 0 HD11 ILE B 704 67.000 -3.956 -2.371 1.00 1.00 H new ATOM 0 HD12 ILE B 704 66.697 -2.223 -2.641 1.00 1.00 H new ATOM 0 HD13 ILE B 704 68.216 -2.959 -3.204 1.00 1.00 H new ATOM 1004 N LEU B 705 71.142 0.705 -1.389 1.00 1.00 N ATOM 1005 CA LEU B 705 71.627 2.074 -1.379 1.00 1.00 C ATOM 1006 C LEU B 705 72.355 2.383 -2.682 1.00 1.00 C ATOM 1007 O LEU B 705 72.155 3.440 -3.273 1.00 1.00 O ATOM 1008 CB LEU B 705 72.593 2.264 -0.204 1.00 1.00 C ATOM 1009 CG LEU B 705 71.828 2.204 1.123 1.00 1.00 C ATOM 1010 CD1 LEU B 705 72.827 2.124 2.282 1.00 1.00 C ATOM 1011 CD2 LEU B 705 70.961 3.457 1.298 1.00 1.00 C ATOM 0 H LEU B 705 71.523 0.111 -0.653 1.00 1.00 H new ATOM 0 HA LEU B 705 70.778 2.750 -1.275 1.00 1.00 H new ATOM 0 HB2 LEU B 705 73.360 1.490 -0.225 1.00 1.00 H new ATOM 0 HB3 LEU B 705 73.104 3.222 -0.295 1.00 1.00 H new ATOM 0 HG LEU B 705 71.186 1.323 1.118 1.00 1.00 H new ATOM 0 HD11 LEU B 705 72.285 2.081 3.227 1.00 1.00 H new ATOM 0 HD12 LEU B 705 73.439 1.229 2.174 1.00 1.00 H new ATOM 0 HD13 LEU B 705 73.468 3.005 2.271 1.00 1.00 H new ATOM 0 HD21 LEU B 705 70.424 3.399 2.245 1.00 1.00 H new ATOM 0 HD22 LEU B 705 71.597 4.343 1.295 1.00 1.00 H new ATOM 0 HD23 LEU B 705 70.245 3.521 0.479 1.00 1.00 H new ATOM 1023 N LEU B 706 73.198 1.459 -3.128 1.00 1.00 N ATOM 1024 CA LEU B 706 73.944 1.667 -4.363 1.00 1.00 C ATOM 1025 C LEU B 706 72.994 1.792 -5.552 1.00 1.00 C ATOM 1026 O LEU B 706 73.172 2.657 -6.410 1.00 1.00 O ATOM 1027 CB LEU B 706 74.911 0.494 -4.589 1.00 1.00 C ATOM 1028 CG LEU B 706 75.693 0.681 -5.898 1.00 1.00 C ATOM 1029 CD1 LEU B 706 76.456 2.009 -5.869 1.00 1.00 C ATOM 1030 CD2 LEU B 706 76.692 -0.468 -6.056 1.00 1.00 C ATOM 0 H LEU B 706 73.381 0.571 -2.661 1.00 1.00 H new ATOM 0 HA LEU B 706 74.511 2.593 -4.275 1.00 1.00 H new ATOM 0 HB2 LEU B 706 75.605 0.422 -3.752 1.00 1.00 H new ATOM 0 HB3 LEU B 706 74.354 -0.442 -4.623 1.00 1.00 H new ATOM 0 HG LEU B 706 74.994 0.687 -6.734 1.00 1.00 H new ATOM 0 HD11 LEU B 706 77.007 2.132 -6.801 1.00 1.00 H new ATOM 0 HD12 LEU B 706 75.750 2.832 -5.753 1.00 1.00 H new ATOM 0 HD13 LEU B 706 77.154 2.009 -5.032 1.00 1.00 H new ATOM 0 HD21 LEU B 706 77.250 -0.340 -6.984 1.00 1.00 H new ATOM 0 HD22 LEU B 706 77.384 -0.467 -5.214 1.00 1.00 H new ATOM 0 HD23 LEU B 706 76.155 -1.416 -6.083 1.00 1.00 H new ATOM 1042 N ILE B 707 71.992 0.916 -5.608 1.00 1.00 N ATOM 1043 CA ILE B 707 71.038 0.939 -6.712 1.00 1.00 C ATOM 1044 C ILE B 707 70.238 2.237 -6.730 1.00 1.00 C ATOM 1045 O ILE B 707 70.052 2.836 -7.785 1.00 1.00 O ATOM 1046 CB ILE B 707 70.081 -0.248 -6.591 1.00 1.00 C ATOM 1047 CG1 ILE B 707 70.853 -1.547 -6.835 1.00 1.00 C ATOM 1048 CG2 ILE B 707 68.964 -0.112 -7.628 1.00 1.00 C ATOM 1049 CD1 ILE B 707 69.986 -2.743 -6.439 1.00 1.00 C ATOM 0 H ILE B 707 71.822 0.191 -4.911 1.00 1.00 H new ATOM 0 HA ILE B 707 71.600 0.872 -7.644 1.00 1.00 H new ATOM 0 HB ILE B 707 69.645 -0.266 -5.592 1.00 1.00 H new ATOM 0 HG12 ILE B 707 71.135 -1.622 -7.885 1.00 1.00 H new ATOM 0 HG13 ILE B 707 71.776 -1.547 -6.256 1.00 1.00 H new ATOM 0 HG21 ILE B 707 68.282 -0.958 -7.541 1.00 1.00 H new ATOM 0 HG22 ILE B 707 68.417 0.814 -7.454 1.00 1.00 H new ATOM 0 HG23 ILE B 707 69.396 -0.095 -8.628 1.00 1.00 H new ATOM 0 HD11 ILE B 707 70.538 -3.666 -6.614 1.00 1.00 H new ATOM 0 HD12 ILE B 707 69.726 -2.670 -5.383 1.00 1.00 H new ATOM 0 HD13 ILE B 707 69.075 -2.746 -7.038 1.00 1.00 H new ATOM 1061 N GLY B 708 69.768 2.670 -5.564 1.00 1.00 N ATOM 1062 CA GLY B 708 68.995 3.908 -5.480 1.00 1.00 C ATOM 1063 C GLY B 708 69.876 5.130 -5.724 1.00 1.00 C ATOM 1064 O GLY B 708 69.469 6.077 -6.395 1.00 1.00 O ATOM 0 H GLY B 708 69.905 2.191 -4.674 1.00 1.00 H new ATOM 0 HA2 GLY B 708 68.189 3.886 -6.213 1.00 1.00 H new ATOM 0 HA3 GLY B 708 68.530 3.983 -4.497 1.00 1.00 H new ATOM 1068 N LEU B 709 71.079 5.107 -5.161 1.00 1.00 N ATOM 1069 CA LEU B 709 72.032 6.204 -5.296 1.00 1.00 C ATOM 1070 C LEU B 709 72.554 6.387 -6.723 1.00 1.00 C ATOM 1071 O LEU B 709 72.786 7.512 -7.155 1.00 1.00 O ATOM 1072 CB LEU B 709 73.208 5.997 -4.339 1.00 1.00 C ATOM 1073 CG LEU B 709 72.740 6.217 -2.892 1.00 1.00 C ATOM 1074 CD1 LEU B 709 73.825 5.734 -1.930 1.00 1.00 C ATOM 1075 CD2 LEU B 709 72.471 7.709 -2.640 1.00 1.00 C ATOM 0 H LEU B 709 71.421 4.328 -4.598 1.00 1.00 H new ATOM 0 HA LEU B 709 71.490 7.115 -5.041 1.00 1.00 H new ATOM 0 HB2 LEU B 709 73.610 4.990 -4.453 1.00 1.00 H new ATOM 0 HB3 LEU B 709 74.013 6.691 -4.581 1.00 1.00 H new ATOM 0 HG LEU B 709 71.820 5.656 -2.729 1.00 1.00 H new ATOM 0 HD11 LEU B 709 73.496 5.889 -0.903 1.00 1.00 H new ATOM 0 HD12 LEU B 709 74.012 4.673 -2.095 1.00 1.00 H new ATOM 0 HD13 LEU B 709 74.743 6.295 -2.105 1.00 1.00 H new ATOM 0 HD21 LEU B 709 72.140 7.850 -1.611 1.00 1.00 H new ATOM 0 HD22 LEU B 709 73.386 8.277 -2.808 1.00 1.00 H new ATOM 0 HD23 LEU B 709 71.696 8.059 -3.322 1.00 1.00 H new ATOM 1087 N ALA B 710 72.796 5.289 -7.439 1.00 1.00 N ATOM 1088 CA ALA B 710 73.359 5.397 -8.783 1.00 1.00 C ATOM 1089 C ALA B 710 72.544 6.338 -9.676 1.00 1.00 C ATOM 1090 O ALA B 710 73.095 7.313 -10.184 1.00 1.00 O ATOM 1091 CB ALA B 710 73.496 4.013 -9.426 1.00 1.00 C ATOM 0 H ALA B 710 72.616 4.337 -7.120 1.00 1.00 H new ATOM 0 HA ALA B 710 74.353 5.833 -8.684 1.00 1.00 H new ATOM 0 HB1 ALA B 710 73.917 4.116 -10.426 1.00 1.00 H new ATOM 0 HB2 ALA B 710 74.154 3.393 -8.818 1.00 1.00 H new ATOM 0 HB3 ALA B 710 72.514 3.544 -9.492 1.00 1.00 H new ATOM 1097 N PRO B 711 71.267 6.110 -9.874 1.00 1.00 N ATOM 1098 CA PRO B 711 70.443 7.024 -10.717 1.00 1.00 C ATOM 1099 C PRO B 711 70.539 8.469 -10.229 1.00 1.00 C ATOM 1100 O PRO B 711 70.711 9.397 -11.019 1.00 1.00 O ATOM 1101 CB PRO B 711 69.013 6.507 -10.542 1.00 1.00 C ATOM 1102 CG PRO B 711 69.143 5.093 -10.087 1.00 1.00 C ATOM 1103 CD PRO B 711 70.475 4.987 -9.347 1.00 1.00 C ATOM 0 HA PRO B 711 70.775 7.029 -11.755 1.00 1.00 H new ATOM 0 HB2 PRO B 711 68.468 7.104 -9.811 1.00 1.00 H new ATOM 0 HB3 PRO B 711 68.459 6.567 -11.479 1.00 1.00 H new ATOM 0 HG2 PRO B 711 68.315 4.820 -9.433 1.00 1.00 H new ATOM 0 HG3 PRO B 711 69.117 4.410 -10.936 1.00 1.00 H new ATOM 0 HD2 PRO B 711 70.339 5.066 -8.268 1.00 1.00 H new ATOM 0 HD3 PRO B 711 70.962 4.031 -9.538 1.00 1.00 H new ATOM 1111 N LEU B 712 70.449 8.638 -8.912 1.00 1.00 N ATOM 1112 CA LEU B 712 70.546 9.957 -8.297 1.00 1.00 C ATOM 1113 C LEU B 712 71.938 10.547 -8.502 1.00 1.00 C ATOM 1114 O LEU B 712 72.085 11.734 -8.788 1.00 1.00 O ATOM 1115 CB LEU B 712 70.256 9.845 -6.799 1.00 1.00 C ATOM 1116 CG LEU B 712 68.774 9.497 -6.585 1.00 1.00 C ATOM 1117 CD1 LEU B 712 68.525 9.170 -5.109 1.00 1.00 C ATOM 1118 CD2 LEU B 712 67.883 10.677 -6.997 1.00 1.00 C ATOM 0 H LEU B 712 70.309 7.875 -8.250 1.00 1.00 H new ATOM 0 HA LEU B 712 69.815 10.615 -8.768 1.00 1.00 H new ATOM 0 HB2 LEU B 712 70.888 9.078 -6.352 1.00 1.00 H new ATOM 0 HB3 LEU B 712 70.495 10.785 -6.301 1.00 1.00 H new ATOM 0 HG LEU B 712 68.529 8.631 -7.200 1.00 1.00 H new ATOM 0 HD11 LEU B 712 67.473 8.924 -4.963 1.00 1.00 H new ATOM 0 HD12 LEU B 712 69.140 8.319 -4.816 1.00 1.00 H new ATOM 0 HD13 LEU B 712 68.784 10.033 -4.496 1.00 1.00 H new ATOM 0 HD21 LEU B 712 66.837 10.415 -6.840 1.00 1.00 H new ATOM 0 HD22 LEU B 712 68.133 11.550 -6.394 1.00 1.00 H new ATOM 0 HD23 LEU B 712 68.045 10.905 -8.050 1.00 1.00 H new ATOM 1130 N LEU B 713 72.956 9.706 -8.339 1.00 1.00 N ATOM 1131 CA LEU B 713 74.336 10.146 -8.492 1.00 1.00 C ATOM 1132 C LEU B 713 74.604 10.626 -9.914 1.00 1.00 C ATOM 1133 O LEU B 713 75.267 11.641 -10.114 1.00 1.00 O ATOM 1134 CB LEU B 713 75.296 9.006 -8.143 1.00 1.00 C ATOM 1135 CG LEU B 713 75.424 8.872 -6.620 1.00 1.00 C ATOM 1136 CD1 LEU B 713 76.180 7.586 -6.290 1.00 1.00 C ATOM 1137 CD2 LEU B 713 76.193 10.069 -6.040 1.00 1.00 C ATOM 0 H LEU B 713 72.850 8.720 -8.102 1.00 1.00 H new ATOM 0 HA LEU B 713 74.501 10.980 -7.809 1.00 1.00 H new ATOM 0 HB2 LEU B 713 74.932 8.071 -8.569 1.00 1.00 H new ATOM 0 HB3 LEU B 713 76.275 9.197 -8.583 1.00 1.00 H new ATOM 0 HG LEU B 713 74.426 8.845 -6.183 1.00 1.00 H new ATOM 0 HD11 LEU B 713 76.274 7.486 -5.209 1.00 1.00 H new ATOM 0 HD12 LEU B 713 75.634 6.731 -6.687 1.00 1.00 H new ATOM 0 HD13 LEU B 713 77.173 7.622 -6.738 1.00 1.00 H new ATOM 0 HD21 LEU B 713 76.275 9.959 -4.959 1.00 1.00 H new ATOM 0 HD22 LEU B 713 77.190 10.107 -6.478 1.00 1.00 H new ATOM 0 HD23 LEU B 713 75.659 10.991 -6.271 1.00 1.00 H new ATOM 1149 N ILE B 714 74.083 9.905 -10.899 1.00 1.00 N ATOM 1150 CA ILE B 714 74.288 10.302 -12.285 1.00 1.00 C ATOM 1151 C ILE B 714 73.633 11.655 -12.527 1.00 1.00 C ATOM 1152 O ILE B 714 74.225 12.537 -13.146 1.00 1.00 O ATOM 1153 CB ILE B 714 73.679 9.261 -13.228 1.00 1.00 C ATOM 1154 CG1 ILE B 714 74.460 7.933 -13.132 1.00 1.00 C ATOM 1155 CG2 ILE B 714 73.697 9.786 -14.668 1.00 1.00 C ATOM 1156 CD1 ILE B 714 75.935 8.116 -13.533 1.00 1.00 C ATOM 0 H ILE B 714 73.527 9.060 -10.769 1.00 1.00 H new ATOM 0 HA ILE B 714 75.358 10.373 -12.480 1.00 1.00 H new ATOM 0 HB ILE B 714 72.646 9.078 -12.933 1.00 1.00 H new ATOM 0 HG12 ILE B 714 74.404 7.549 -12.113 1.00 1.00 H new ATOM 0 HG13 ILE B 714 73.996 7.189 -13.779 1.00 1.00 H new ATOM 0 HG21 ILE B 714 73.262 9.040 -15.333 1.00 1.00 H new ATOM 0 HG22 ILE B 714 73.117 10.707 -14.727 1.00 1.00 H new ATOM 0 HG23 ILE B 714 74.725 9.985 -14.970 1.00 1.00 H new ATOM 0 HD11 ILE B 714 76.455 7.161 -13.454 1.00 1.00 H new ATOM 0 HD12 ILE B 714 75.991 8.475 -14.561 1.00 1.00 H new ATOM 0 HD13 ILE B 714 76.405 8.841 -12.869 1.00 1.00 H new ATOM 1168 N TRP B 715 72.416 11.817 -12.019 1.00 1.00 N ATOM 1169 CA TRP B 715 71.688 13.068 -12.167 1.00 1.00 C ATOM 1170 C TRP B 715 72.445 14.195 -11.459 1.00 1.00 C ATOM 1171 O TRP B 715 72.640 15.276 -12.014 1.00 1.00 O ATOM 1172 CB TRP B 715 70.289 12.864 -11.564 1.00 1.00 C ATOM 1173 CG TRP B 715 69.506 14.140 -11.496 1.00 1.00 C ATOM 1174 CD1 TRP B 715 69.734 15.255 -12.228 1.00 1.00 C ATOM 1175 CD2 TRP B 715 68.338 14.424 -10.671 1.00 1.00 C ATOM 1176 NE1 TRP B 715 68.788 16.211 -11.887 1.00 1.00 N ATOM 1177 CE2 TRP B 715 67.908 15.745 -10.935 1.00 1.00 C ATOM 1178 CE3 TRP B 715 67.623 13.670 -9.724 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 66.804 16.298 -10.283 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 66.512 14.222 -9.067 1.00 1.00 C ATOM 1181 CH2 TRP B 715 66.103 15.533 -9.346 1.00 1.00 C ATOM 0 H TRP B 715 71.914 11.096 -11.501 1.00 1.00 H new ATOM 0 HA TRP B 715 71.595 13.349 -13.216 1.00 1.00 H new ATOM 0 HB2 TRP B 715 69.741 12.136 -12.162 1.00 1.00 H new ATOM 0 HB3 TRP B 715 70.385 12.446 -10.562 1.00 1.00 H new ATOM 0 HD1 TRP B 715 70.521 15.380 -12.957 1.00 1.00 H new ATOM 0 HE1 TRP B 715 68.749 17.146 -12.292 1.00 1.00 H new ATOM 0 HE3 TRP B 715 67.931 12.659 -9.500 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 66.494 17.309 -10.501 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 65.969 13.633 -8.342 1.00 1.00 H new ATOM 0 HH2 TRP B 715 65.247 15.952 -8.838 1.00 1.00 H new ATOM 1192 N LYS B 716 72.850 13.935 -10.219 1.00 1.00 N ATOM 1193 CA LYS B 716 73.561 14.928 -9.419 1.00 1.00 C ATOM 1194 C LYS B 716 74.873 15.350 -10.077 1.00 1.00 C ATOM 1195 O LYS B 716 75.193 16.539 -10.116 1.00 1.00 O ATOM 1196 CB LYS B 716 73.856 14.340 -8.035 1.00 1.00 C ATOM 1197 CG LYS B 716 74.136 15.465 -7.023 1.00 1.00 C ATOM 1198 CD LYS B 716 72.853 15.887 -6.267 1.00 1.00 C ATOM 1199 CE LYS B 716 71.961 16.795 -7.124 1.00 1.00 C ATOM 1200 NZ LYS B 716 71.076 17.586 -6.230 1.00 1.00 N ATOM 0 H LYS B 716 72.698 13.044 -9.746 1.00 1.00 H new ATOM 0 HA LYS B 716 72.928 15.811 -9.334 1.00 1.00 H new ATOM 0 HB2 LYS B 716 73.009 13.742 -7.699 1.00 1.00 H new ATOM 0 HB3 LYS B 716 74.715 13.672 -8.092 1.00 1.00 H new ATOM 0 HG2 LYS B 716 74.887 15.132 -6.307 1.00 1.00 H new ATOM 0 HG3 LYS B 716 74.552 16.328 -7.544 1.00 1.00 H new ATOM 0 HD2 LYS B 716 72.294 14.998 -5.975 1.00 1.00 H new ATOM 0 HD3 LYS B 716 73.126 16.407 -5.349 1.00 1.00 H new ATOM 0 HE2 LYS B 716 72.574 17.460 -7.732 1.00 1.00 H new ATOM 0 HE3 LYS B 716 71.364 16.196 -7.811 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 70.670 18.383 -6.760 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 70.309 16.979 -5.875 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 71.629 17.950 -5.428 1.00 1.00 H new ATOM 1214 N LEU B 717 75.637 14.387 -10.586 1.00 1.00 N ATOM 1215 CA LEU B 717 76.910 14.709 -11.226 1.00 1.00 C ATOM 1216 C LEU B 717 76.688 15.576 -12.458 1.00 1.00 C ATOM 1217 O LEU B 717 77.421 16.534 -12.689 1.00 1.00 O ATOM 1218 CB LEU B 717 77.647 13.424 -11.620 1.00 1.00 C ATOM 1219 CG LEU B 717 78.144 12.707 -10.359 1.00 1.00 C ATOM 1220 CD1 LEU B 717 78.653 11.315 -10.732 1.00 1.00 C ATOM 1221 CD2 LEU B 717 79.283 13.503 -9.706 1.00 1.00 C ATOM 0 H LEU B 717 75.403 13.394 -10.569 1.00 1.00 H new ATOM 0 HA LEU B 717 77.519 15.265 -10.513 1.00 1.00 H new ATOM 0 HB2 LEU B 717 76.982 12.770 -12.184 1.00 1.00 H new ATOM 0 HB3 LEU B 717 78.488 13.661 -12.271 1.00 1.00 H new ATOM 0 HG LEU B 717 77.318 12.624 -9.653 1.00 1.00 H new ATOM 0 HD11 LEU B 717 79.007 10.805 -9.836 1.00 1.00 H new ATOM 0 HD12 LEU B 717 77.843 10.740 -11.182 1.00 1.00 H new ATOM 0 HD13 LEU B 717 79.473 11.406 -11.445 1.00 1.00 H new ATOM 0 HD21 LEU B 717 79.625 12.982 -8.812 1.00 1.00 H new ATOM 0 HD22 LEU B 717 80.110 13.599 -10.410 1.00 1.00 H new ATOM 0 HD23 LEU B 717 78.923 14.495 -9.432 1.00 1.00 H new ATOM 1233 N LEU B 718 75.680 15.231 -13.253 1.00 1.00 N ATOM 1234 CA LEU B 718 75.400 15.993 -14.463 1.00 1.00 C ATOM 1235 C LEU B 718 75.035 17.433 -14.126 1.00 1.00 C ATOM 1236 O LEU B 718 75.512 18.360 -14.778 1.00 1.00 O ATOM 1237 CB LEU B 718 74.253 15.342 -15.243 1.00 1.00 C ATOM 1238 CG LEU B 718 74.731 14.016 -15.850 1.00 1.00 C ATOM 1239 CD1 LEU B 718 73.534 13.250 -16.415 1.00 1.00 C ATOM 1240 CD2 LEU B 718 75.741 14.277 -16.974 1.00 1.00 C ATOM 0 H LEU B 718 75.054 14.443 -13.085 1.00 1.00 H new ATOM 0 HA LEU B 718 76.301 15.996 -15.077 1.00 1.00 H new ATOM 0 HB2 LEU B 718 73.404 15.166 -14.582 1.00 1.00 H new ATOM 0 HB3 LEU B 718 73.910 16.012 -16.031 1.00 1.00 H new ATOM 0 HG LEU B 718 75.212 13.427 -15.069 1.00 1.00 H new ATOM 0 HD11 LEU B 718 73.875 12.309 -16.846 1.00 1.00 H new ATOM 0 HD12 LEU B 718 72.822 13.046 -15.615 1.00 1.00 H new ATOM 0 HD13 LEU B 718 73.051 13.848 -17.187 1.00 1.00 H new ATOM 0 HD21 LEU B 718 76.071 13.327 -17.395 1.00 1.00 H new ATOM 0 HD22 LEU B 718 75.271 14.875 -17.754 1.00 1.00 H new ATOM 0 HD23 LEU B 718 76.601 14.814 -16.573 1.00 1.00 H new ATOM 1252 N ILE B 719 74.214 17.629 -13.098 1.00 1.00 N ATOM 1253 CA ILE B 719 73.836 18.981 -12.708 1.00 1.00 C ATOM 1254 C ILE B 719 75.067 19.750 -12.241 1.00 1.00 C ATOM 1255 O ILE B 719 75.254 20.913 -12.592 1.00 1.00 O ATOM 1256 CB ILE B 719 72.805 18.941 -11.573 1.00 1.00 C ATOM 1257 CG1 ILE B 719 71.476 18.355 -12.084 1.00 1.00 C ATOM 1258 CG2 ILE B 719 72.582 20.352 -11.015 1.00 1.00 C ATOM 1259 CD1 ILE B 719 70.882 19.207 -13.216 1.00 1.00 C ATOM 0 H ILE B 719 73.806 16.886 -12.531 1.00 1.00 H new ATOM 0 HA ILE B 719 73.398 19.480 -13.572 1.00 1.00 H new ATOM 0 HB ILE B 719 73.184 18.303 -10.775 1.00 1.00 H new ATOM 0 HG12 ILE B 719 71.639 17.338 -12.440 1.00 1.00 H new ATOM 0 HG13 ILE B 719 70.764 18.294 -11.261 1.00 1.00 H new ATOM 0 HG21 ILE B 719 71.848 20.313 -10.210 1.00 1.00 H new ATOM 0 HG22 ILE B 719 73.523 20.744 -10.630 1.00 1.00 H new ATOM 0 HG23 ILE B 719 72.216 21.003 -11.808 1.00 1.00 H new ATOM 0 HD11 ILE B 719 69.945 18.763 -13.552 1.00 1.00 H new ATOM 0 HD12 ILE B 719 70.695 20.217 -12.852 1.00 1.00 H new ATOM 0 HD13 ILE B 719 71.584 19.246 -14.049 1.00 1.00 H new ATOM 1271 N THR B 720 75.897 19.104 -11.430 1.00 1.00 N ATOM 1272 CA THR B 720 77.089 19.763 -10.907 1.00 1.00 C ATOM 1273 C THR B 720 78.003 20.197 -12.047 1.00 1.00 C ATOM 1274 O THR B 720 78.506 21.317 -12.043 1.00 1.00 O ATOM 1275 CB THR B 720 77.846 18.810 -9.985 1.00 1.00 C ATOM 1276 OG1 THR B 720 77.025 18.481 -8.872 1.00 1.00 O ATOM 1277 CG2 THR B 720 79.132 19.480 -9.494 1.00 1.00 C ATOM 0 H THR B 720 75.771 18.139 -11.124 1.00 1.00 H new ATOM 0 HA THR B 720 76.779 20.645 -10.347 1.00 1.00 H new ATOM 0 HB THR B 720 78.101 17.902 -10.531 1.00 1.00 H new ATOM 0 HG1 THR B 720 76.339 17.839 -9.150 1.00 1.00 H new ATOM 0 HG21 THR B 720 79.670 18.797 -8.836 1.00 1.00 H new ATOM 0 HG22 THR B 720 79.760 19.731 -10.348 1.00 1.00 H new ATOM 0 HG23 THR B 720 78.883 20.389 -8.947 1.00 1.00 H new ATOM 1285 N ILE B 721 78.235 19.318 -13.015 1.00 1.00 N ATOM 1286 CA ILE B 721 79.109 19.662 -14.129 1.00 1.00 C ATOM 1287 C ILE B 721 78.531 20.835 -14.917 1.00 1.00 C ATOM 1288 O ILE B 721 79.249 21.767 -15.279 1.00 1.00 O ATOM 1289 CB ILE B 721 79.278 18.460 -15.058 1.00 1.00 C ATOM 1290 CG1 ILE B 721 80.070 17.372 -14.330 1.00 1.00 C ATOM 1291 CG2 ILE B 721 80.027 18.883 -16.325 1.00 1.00 C ATOM 1292 CD1 ILE B 721 80.005 16.071 -15.129 1.00 1.00 C ATOM 0 H ILE B 721 77.838 18.379 -13.052 1.00 1.00 H new ATOM 0 HA ILE B 721 80.081 19.947 -13.726 1.00 1.00 H new ATOM 0 HB ILE B 721 78.297 18.075 -15.338 1.00 1.00 H new ATOM 0 HG12 ILE B 721 81.107 17.684 -14.207 1.00 1.00 H new ATOM 0 HG13 ILE B 721 79.662 17.218 -13.331 1.00 1.00 H new ATOM 0 HG21 ILE B 721 80.144 18.022 -16.983 1.00 1.00 H new ATOM 0 HG22 ILE B 721 79.461 19.659 -16.840 1.00 1.00 H new ATOM 0 HG23 ILE B 721 81.010 19.270 -16.055 1.00 1.00 H new ATOM 0 HD11 ILE B 721 80.569 15.297 -14.610 1.00 1.00 H new ATOM 0 HD12 ILE B 721 78.966 15.757 -15.229 1.00 1.00 H new ATOM 0 HD13 ILE B 721 80.433 16.230 -16.119 1.00 1.00 H new ATOM 1304 N HIS B 722 77.227 20.787 -15.153 1.00 1.00 N ATOM 1305 CA HIS B 722 76.564 21.864 -15.874 1.00 1.00 C ATOM 1306 C HIS B 722 76.707 23.166 -15.088 1.00 1.00 C ATOM 1307 O HIS B 722 76.886 24.238 -15.664 1.00 1.00 O ATOM 1308 CB HIS B 722 75.082 21.542 -16.093 1.00 1.00 C ATOM 1309 CG HIS B 722 74.946 20.505 -17.175 1.00 1.00 C ATOM 1310 ND1 HIS B 722 74.667 19.176 -16.898 1.00 1.00 N ATOM 1311 CD2 HIS B 722 75.053 20.587 -18.541 1.00 1.00 C ATOM 1312 CE1 HIS B 722 74.619 18.516 -18.071 1.00 1.00 C ATOM 1313 NE2 HIS B 722 74.847 19.329 -19.107 1.00 1.00 N ATOM 0 H HIS B 722 76.615 20.025 -14.860 1.00 1.00 H new ATOM 0 HA HIS B 722 77.035 21.974 -16.851 1.00 1.00 H new ATOM 0 HB2 HIS B 722 74.638 21.177 -15.167 1.00 1.00 H new ATOM 0 HB3 HIS B 722 74.540 22.446 -16.371 1.00 1.00 H new ATOM 0 HD1 HIS B 722 74.524 18.771 -15.973 1.00 1.00 H new ATOM 0 HD2 HIS B 722 75.265 21.490 -19.094 1.00 1.00 H new ATOM 0 HE1 HIS B 722 74.420 17.458 -18.163 1.00 1.00 H new