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= 0.186 USER MOD Single : A 987 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 989 LYS NZ :NH3+ -163:sc=-0.00413 (180deg=-0.313) USER MOD Single : B 699 SER OG : rot -4:sc= -0.165 USER MOD Single : B 701 MET CE :methyl 136:sc= -0.0711 (180deg=-1.54) USER MOD Single : B 716 LYS NZ :NH3+ 137:sc= 0.564! (180deg=-4.29!) USER MOD Single : B 720 THR OG1 : rot 75:sc= 0.494 USER MOD Single : B 722 HIS : no HE2:sc= 0.436 K(o=0.44,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 64.226 -16.525 3.945 1.00 1.00 N ATOM 137 CA ILE A 966 63.489 -15.492 3.223 1.00 1.00 C ATOM 138 C ILE A 966 63.292 -14.190 4.013 1.00 1.00 C ATOM 139 O ILE A 966 63.388 -13.100 3.448 1.00 1.00 O ATOM 140 CB ILE A 966 62.119 -16.045 2.832 1.00 1.00 C ATOM 141 CG1 ILE A 966 62.292 -17.144 1.783 1.00 1.00 C ATOM 142 CG2 ILE A 966 61.262 -14.921 2.252 1.00 1.00 C ATOM 143 CD1 ILE A 966 60.970 -17.892 1.605 1.00 1.00 C ATOM 0 HA ILE A 966 64.091 -15.236 2.351 1.00 1.00 H new ATOM 0 HB ILE A 966 61.630 -16.458 3.714 1.00 1.00 H new ATOM 0 HG12 ILE A 966 62.607 -16.710 0.834 1.00 1.00 H new ATOM 0 HG13 ILE A 966 63.075 -17.836 2.092 1.00 1.00 H new ATOM 0 HG21 ILE A 966 60.285 -15.315 1.973 1.00 1.00 H new ATOM 0 HG22 ILE A 966 61.137 -14.137 2.998 1.00 1.00 H new ATOM 0 HG23 ILE A 966 61.752 -14.508 1.370 1.00 1.00 H new ATOM 0 HD11 ILE A 966 61.093 -18.675 0.857 1.00 1.00 H new ATOM 0 HD12 ILE A 966 60.674 -18.339 2.554 1.00 1.00 H new ATOM 0 HD13 ILE A 966 60.199 -17.195 1.277 1.00 1.00 H new ATOM 155 N TRP A 967 62.954 -14.302 5.293 1.00 1.00 N ATOM 156 CA TRP A 967 62.676 -13.109 6.096 1.00 1.00 C ATOM 157 C TRP A 967 63.812 -12.087 6.003 1.00 1.00 C ATOM 158 O TRP A 967 63.570 -10.908 5.746 1.00 1.00 O ATOM 159 CB TRP A 967 62.508 -13.492 7.568 1.00 1.00 C ATOM 160 CG TRP A 967 62.743 -14.955 7.744 1.00 1.00 C ATOM 161 CD1 TRP A 967 63.854 -15.487 8.305 1.00 1.00 C ATOM 162 CD2 TRP A 967 61.890 -16.077 7.379 1.00 1.00 C ATOM 163 NE1 TRP A 967 63.741 -16.863 8.306 1.00 1.00 N ATOM 164 CE2 TRP A 967 62.547 -17.278 7.746 1.00 1.00 C ATOM 165 CE3 TRP A 967 60.627 -16.172 6.771 1.00 1.00 C ATOM 166 CZ2 TRP A 967 61.968 -18.526 7.514 1.00 1.00 C ATOM 167 CZ3 TRP A 967 60.040 -17.425 6.538 1.00 1.00 C ATOM 168 CH2 TRP A 967 60.710 -18.601 6.906 1.00 1.00 C ATOM 0 H TRP A 967 62.866 -15.187 5.793 1.00 1.00 H new ATOM 0 HA TRP A 967 61.761 -12.667 5.703 1.00 1.00 H new ATOM 0 HB2 TRP A 967 63.209 -12.926 8.182 1.00 1.00 H new ATOM 0 HB3 TRP A 967 61.505 -13.233 7.908 1.00 1.00 H new ATOM 0 HD1 TRP A 967 64.693 -14.926 8.690 1.00 1.00 H new ATOM 0 HE1 TRP A 967 64.451 -17.496 8.675 1.00 1.00 H new ATOM 0 HE3 TRP A 967 60.104 -15.273 6.481 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 62.487 -19.428 7.802 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 59.067 -17.484 6.073 1.00 1.00 H new ATOM 0 HH2 TRP A 967 60.256 -19.563 6.720 1.00 1.00 H new ATOM 179 N TRP A 968 65.037 -12.522 6.274 1.00 1.00 N ATOM 180 CA TRP A 968 66.172 -11.600 6.280 1.00 1.00 C ATOM 181 C TRP A 968 66.316 -10.878 4.943 1.00 1.00 C ATOM 182 O TRP A 968 66.601 -9.683 4.926 1.00 1.00 O ATOM 183 CB TRP A 968 67.474 -12.344 6.593 1.00 1.00 C ATOM 184 CG TRP A 968 67.360 -13.004 7.932 1.00 1.00 C ATOM 185 CD1 TRP A 968 67.372 -14.336 8.124 1.00 1.00 C ATOM 186 CD2 TRP A 968 67.196 -12.401 9.247 1.00 1.00 C ATOM 187 NE1 TRP A 968 67.234 -14.601 9.474 1.00 1.00 N ATOM 188 CE2 TRP A 968 67.117 -13.437 10.211 1.00 1.00 C ATOM 189 CE3 TRP A 968 67.109 -11.071 9.697 1.00 1.00 C ATOM 190 CZ2 TRP A 968 66.956 -13.163 11.570 1.00 1.00 C ATOM 191 CZ3 TRP A 968 66.949 -10.791 11.065 1.00 1.00 C ATOM 192 CH2 TRP A 968 66.873 -11.835 11.999 1.00 1.00 C ATOM 0 H TRP A 968 65.271 -13.491 6.490 1.00 1.00 H new ATOM 0 HA TRP A 968 65.979 -10.860 7.057 1.00 1.00 H new ATOM 0 HB2 TRP A 968 67.674 -13.090 5.824 1.00 1.00 H new ATOM 0 HB3 TRP A 968 68.313 -11.649 6.588 1.00 1.00 H new ATOM 0 HD1 TRP A 968 67.473 -15.080 7.347 1.00 1.00 H new ATOM 0 HE1 TRP A 968 67.220 -15.538 9.876 1.00 1.00 H new ATOM 0 HE3 TRP A 968 67.166 -10.260 8.986 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 66.896 -13.971 12.285 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 66.884 -9.766 11.399 1.00 1.00 H new ATOM 0 HH2 TRP A 968 66.750 -11.613 13.049 1.00 1.00 H new ATOM 203 N VAL A 969 66.091 -11.562 3.824 1.00 1.00 N ATOM 204 CA VAL A 969 66.188 -10.888 2.532 1.00 1.00 C ATOM 205 C VAL A 969 65.118 -9.804 2.442 1.00 1.00 C ATOM 206 O VAL A 969 65.383 -8.674 2.025 1.00 1.00 O ATOM 207 CB VAL A 969 65.997 -11.891 1.397 1.00 1.00 C ATOM 208 CG1 VAL A 969 65.873 -11.145 0.069 1.00 1.00 C ATOM 209 CG2 VAL A 969 67.208 -12.823 1.341 1.00 1.00 C ATOM 0 H VAL A 969 65.848 -12.552 3.783 1.00 1.00 H new ATOM 0 HA VAL A 969 67.176 -10.436 2.441 1.00 1.00 H new ATOM 0 HB VAL A 969 65.091 -12.471 1.573 1.00 1.00 H new ATOM 0 HG11 VAL A 969 65.737 -11.863 -0.740 1.00 1.00 H new ATOM 0 HG12 VAL A 969 65.015 -10.474 0.107 1.00 1.00 H new ATOM 0 HG13 VAL A 969 66.779 -10.566 -0.109 1.00 1.00 H new ATOM 0 HG21 VAL A 969 67.077 -13.542 0.532 1.00 1.00 H new ATOM 0 HG22 VAL A 969 68.110 -12.237 1.164 1.00 1.00 H new ATOM 0 HG23 VAL A 969 67.301 -13.355 2.288 1.00 1.00 H new ATOM 219 N LEU A 970 63.909 -10.172 2.849 1.00 1.00 N ATOM 220 CA LEU A 970 62.787 -9.245 2.819 1.00 1.00 C ATOM 221 C LEU A 970 63.050 -8.057 3.744 1.00 1.00 C ATOM 222 O LEU A 970 62.754 -6.912 3.395 1.00 1.00 O ATOM 223 CB LEU A 970 61.507 -9.957 3.263 1.00 1.00 C ATOM 224 CG LEU A 970 61.082 -10.984 2.205 1.00 1.00 C ATOM 225 CD1 LEU A 970 59.925 -11.826 2.747 1.00 1.00 C ATOM 226 CD2 LEU A 970 60.633 -10.275 0.920 1.00 1.00 C ATOM 0 H LEU A 970 63.682 -11.102 3.202 1.00 1.00 H new ATOM 0 HA LEU A 970 62.668 -8.883 1.798 1.00 1.00 H new ATOM 0 HB2 LEU A 970 61.671 -10.454 4.219 1.00 1.00 H new ATOM 0 HB3 LEU A 970 60.710 -9.229 3.415 1.00 1.00 H new ATOM 0 HG LEU A 970 61.934 -11.625 1.977 1.00 1.00 H new ATOM 0 HD11 LEU A 970 59.623 -12.556 1.996 1.00 1.00 H new ATOM 0 HD12 LEU A 970 60.245 -12.346 3.650 1.00 1.00 H new ATOM 0 HD13 LEU A 970 59.082 -11.177 2.982 1.00 1.00 H new ATOM 0 HD21 LEU A 970 60.335 -11.018 0.180 1.00 1.00 H new ATOM 0 HD22 LEU A 970 59.788 -9.623 1.141 1.00 1.00 H new ATOM 0 HD23 LEU A 970 61.457 -9.680 0.526 1.00 1.00 H new ATOM 238 N VAL A 971 63.601 -8.330 4.921 1.00 1.00 N ATOM 239 CA VAL A 971 63.892 -7.277 5.889 1.00 1.00 C ATOM 240 C VAL A 971 64.923 -6.298 5.343 1.00 1.00 C ATOM 241 O VAL A 971 64.767 -5.084 5.476 1.00 1.00 O ATOM 242 CB VAL A 971 64.406 -7.886 7.192 1.00 1.00 C ATOM 243 CG1 VAL A 971 64.892 -6.771 8.119 1.00 1.00 C ATOM 244 CG2 VAL A 971 63.271 -8.662 7.870 1.00 1.00 C ATOM 0 H VAL A 971 63.855 -9.269 5.228 1.00 1.00 H new ATOM 0 HA VAL A 971 62.966 -6.734 6.081 1.00 1.00 H new ATOM 0 HB VAL A 971 65.233 -8.563 6.979 1.00 1.00 H new ATOM 0 HG11 VAL A 971 65.259 -7.205 9.049 1.00 1.00 H new ATOM 0 HG12 VAL A 971 65.697 -6.219 7.634 1.00 1.00 H new ATOM 0 HG13 VAL A 971 64.067 -6.093 8.336 1.00 1.00 H new ATOM 0 HG21 VAL A 971 63.634 -9.098 8.801 1.00 1.00 H new ATOM 0 HG22 VAL A 971 62.445 -7.984 8.085 1.00 1.00 H new ATOM 0 HG23 VAL A 971 62.926 -9.456 7.207 1.00 1.00 H new ATOM 254 N GLY A 972 65.983 -6.832 4.743 1.00 1.00 N ATOM 255 CA GLY A 972 67.043 -5.986 4.204 1.00 1.00 C ATOM 256 C GLY A 972 66.506 -5.047 3.140 1.00 1.00 C ATOM 257 O GLY A 972 66.910 -3.886 3.064 1.00 1.00 O ATOM 0 H GLY A 972 66.130 -7.834 4.619 1.00 1.00 H new ATOM 0 HA2 GLY A 972 67.495 -5.407 5.009 1.00 1.00 H new ATOM 0 HA3 GLY A 972 67.830 -6.610 3.779 1.00 1.00 H new ATOM 261 N VAL A 973 65.611 -5.555 2.318 1.00 1.00 N ATOM 262 CA VAL A 973 65.037 -4.751 1.250 1.00 1.00 C ATOM 263 C VAL A 973 64.279 -3.558 1.827 1.00 1.00 C ATOM 264 O VAL A 973 64.431 -2.434 1.345 1.00 1.00 O ATOM 265 CB VAL A 973 64.083 -5.604 0.417 1.00 1.00 C ATOM 266 CG1 VAL A 973 63.329 -4.714 -0.569 1.00 1.00 C ATOM 267 CG2 VAL A 973 64.873 -6.662 -0.357 1.00 1.00 C ATOM 0 H VAL A 973 65.265 -6.513 2.365 1.00 1.00 H new ATOM 0 HA VAL A 973 65.846 -4.384 0.619 1.00 1.00 H new ATOM 0 HB VAL A 973 63.373 -6.097 1.081 1.00 1.00 H new ATOM 0 HG11 VAL A 973 62.648 -5.324 -1.163 1.00 1.00 H new ATOM 0 HG12 VAL A 973 62.759 -3.964 -0.020 1.00 1.00 H new ATOM 0 HG13 VAL A 973 64.041 -4.218 -1.229 1.00 1.00 H new ATOM 0 HG21 VAL A 973 64.187 -7.267 -0.949 1.00 1.00 H new ATOM 0 HG22 VAL A 973 65.587 -6.171 -1.018 1.00 1.00 H new ATOM 0 HG23 VAL A 973 65.408 -7.302 0.345 1.00 1.00 H new ATOM 277 N LEU A 974 63.459 -3.799 2.850 1.00 1.00 N ATOM 278 CA LEU A 974 62.679 -2.727 3.459 1.00 1.00 C ATOM 279 C LEU A 974 63.575 -1.661 4.095 1.00 1.00 C ATOM 280 O LEU A 974 63.319 -0.464 3.966 1.00 1.00 O ATOM 281 CB LEU A 974 61.748 -3.312 4.525 1.00 1.00 C ATOM 282 CG LEU A 974 60.661 -4.161 3.854 1.00 1.00 C ATOM 283 CD1 LEU A 974 59.882 -4.935 4.921 1.00 1.00 C ATOM 284 CD2 LEU A 974 59.695 -3.268 3.065 1.00 1.00 C ATOM 0 H LEU A 974 63.320 -4.718 3.270 1.00 1.00 H new ATOM 0 HA LEU A 974 62.097 -2.249 2.671 1.00 1.00 H new ATOM 0 HB2 LEU A 974 62.319 -3.922 5.225 1.00 1.00 H new ATOM 0 HB3 LEU A 974 61.291 -2.509 5.102 1.00 1.00 H new ATOM 0 HG LEU A 974 61.138 -4.860 3.167 1.00 1.00 H new ATOM 0 HD11 LEU A 974 59.110 -5.538 4.442 1.00 1.00 H new ATOM 0 HD12 LEU A 974 60.564 -5.586 5.468 1.00 1.00 H new ATOM 0 HD13 LEU A 974 59.417 -4.233 5.613 1.00 1.00 H new ATOM 0 HD21 LEU A 974 58.930 -3.886 2.595 1.00 1.00 H new ATOM 0 HD22 LEU A 974 59.222 -2.557 3.742 1.00 1.00 H new ATOM 0 HD23 LEU A 974 60.246 -2.726 2.297 1.00 1.00 H new ATOM 296 N GLY A 975 64.624 -2.105 4.797 1.00 1.00 N ATOM 297 CA GLY A 975 65.537 -1.174 5.456 1.00 1.00 C ATOM 298 C GLY A 975 66.314 -0.328 4.452 1.00 1.00 C ATOM 299 O GLY A 975 66.397 0.891 4.590 1.00 1.00 O ATOM 0 H GLY A 975 64.857 -3.090 4.921 1.00 1.00 H new ATOM 0 HA2 GLY A 975 64.971 -0.520 6.120 1.00 1.00 H new ATOM 0 HA3 GLY A 975 66.237 -1.732 6.078 1.00 1.00 H new ATOM 303 N GLY A 976 66.862 -0.974 3.428 1.00 1.00 N ATOM 304 CA GLY A 976 67.609 -0.248 2.410 1.00 1.00 C ATOM 305 C GLY A 976 66.709 0.788 1.725 1.00 1.00 C ATOM 306 O GLY A 976 67.127 1.922 1.484 1.00 1.00 O ATOM 0 H GLY A 976 66.804 -1.982 3.283 1.00 1.00 H new ATOM 0 HA2 GLY A 976 68.466 0.249 2.864 1.00 1.00 H new ATOM 0 HA3 GLY A 976 68.000 -0.946 1.670 1.00 1.00 H new ATOM 310 N LEU A 977 65.478 0.406 1.428 1.00 1.00 N ATOM 311 CA LEU A 977 64.543 1.332 0.783 1.00 1.00 C ATOM 312 C LEU A 977 64.245 2.529 1.707 1.00 1.00 C ATOM 313 O LEU A 977 64.166 3.678 1.255 1.00 1.00 O ATOM 314 CB LEU A 977 63.239 0.593 0.440 1.00 1.00 C ATOM 315 CG LEU A 977 62.238 1.543 -0.221 1.00 1.00 C ATOM 316 CD1 LEU A 977 62.848 2.132 -1.492 1.00 1.00 C ATOM 317 CD2 LEU A 977 60.966 0.760 -0.581 1.00 1.00 C ATOM 0 H LEU A 977 65.101 -0.523 1.617 1.00 1.00 H new ATOM 0 HA LEU A 977 64.996 1.709 -0.134 1.00 1.00 H new ATOM 0 HB2 LEU A 977 63.453 -0.241 -0.228 1.00 1.00 H new ATOM 0 HB3 LEU A 977 62.804 0.172 1.347 1.00 1.00 H new ATOM 0 HG LEU A 977 61.993 2.352 0.468 1.00 1.00 H new ATOM 0 HD11 LEU A 977 62.132 2.808 -1.960 1.00 1.00 H new ATOM 0 HD12 LEU A 977 63.755 2.682 -1.239 1.00 1.00 H new ATOM 0 HD13 LEU A 977 63.093 1.327 -2.185 1.00 1.00 H new ATOM 0 HD21 LEU A 977 60.247 1.430 -1.053 1.00 1.00 H new ATOM 0 HD22 LEU A 977 61.218 -0.046 -1.271 1.00 1.00 H new ATOM 0 HD23 LEU A 977 60.529 0.339 0.325 1.00 1.00 H new ATOM 329 N LEU A 978 64.067 2.264 2.992 1.00 1.00 N ATOM 330 CA LEU A 978 63.762 3.335 3.933 1.00 1.00 C ATOM 331 C LEU A 978 64.907 4.352 3.984 1.00 1.00 C ATOM 332 O LEU A 978 64.660 5.558 3.984 1.00 1.00 O ATOM 333 CB LEU A 978 63.519 2.727 5.323 1.00 1.00 C ATOM 334 CG LEU A 978 63.214 3.819 6.347 1.00 1.00 C ATOM 335 CD1 LEU A 978 61.980 4.614 5.905 1.00 1.00 C ATOM 336 CD2 LEU A 978 62.943 3.177 7.707 1.00 1.00 C ATOM 0 H LEU A 978 64.127 1.333 3.404 1.00 1.00 H new ATOM 0 HA LEU A 978 62.865 3.859 3.604 1.00 1.00 H new ATOM 0 HB2 LEU A 978 62.688 2.023 5.277 1.00 1.00 H new ATOM 0 HB3 LEU A 978 64.397 2.163 5.637 1.00 1.00 H new ATOM 0 HG LEU A 978 64.068 4.492 6.422 1.00 1.00 H new ATOM 0 HD11 LEU A 978 61.766 5.392 6.638 1.00 1.00 H new ATOM 0 HD12 LEU A 978 62.171 5.073 4.935 1.00 1.00 H new ATOM 0 HD13 LEU A 978 61.124 3.944 5.827 1.00 1.00 H new ATOM 0 HD21 LEU A 978 62.725 3.954 8.439 1.00 1.00 H new ATOM 0 HD22 LEU A 978 62.090 2.504 7.628 1.00 1.00 H new ATOM 0 HD23 LEU A 978 63.821 2.615 8.025 1.00 1.00 H new ATOM 348 N LEU A 979 66.139 3.870 4.009 1.00 1.00 N ATOM 349 CA LEU A 979 67.279 4.794 4.048 1.00 1.00 C ATOM 350 C LEU A 979 67.280 5.674 2.794 1.00 1.00 C ATOM 351 O LEU A 979 67.542 6.873 2.885 1.00 1.00 O ATOM 352 CB LEU A 979 68.615 4.033 4.151 1.00 1.00 C ATOM 353 CG LEU A 979 68.949 3.682 5.616 1.00 1.00 C ATOM 354 CD1 LEU A 979 68.027 2.581 6.151 1.00 1.00 C ATOM 355 CD2 LEU A 979 70.390 3.183 5.703 1.00 1.00 C ATOM 0 H LEU A 979 66.380 2.879 4.003 1.00 1.00 H new ATOM 0 HA LEU A 979 67.175 5.419 4.935 1.00 1.00 H new ATOM 0 HB2 LEU A 979 68.562 3.119 3.559 1.00 1.00 H new ATOM 0 HB3 LEU A 979 69.415 4.641 3.729 1.00 1.00 H new ATOM 0 HG LEU A 979 68.811 4.583 6.214 1.00 1.00 H new ATOM 0 HD11 LEU A 979 68.289 2.358 7.185 1.00 1.00 H new ATOM 0 HD12 LEU A 979 66.992 2.919 6.104 1.00 1.00 H new ATOM 0 HD13 LEU A 979 68.144 1.682 5.545 1.00 1.00 H new ATOM 0 HD21 LEU A 979 70.627 2.935 6.737 1.00 1.00 H new ATOM 0 HD22 LEU A 979 70.506 2.295 5.081 1.00 1.00 H new ATOM 0 HD23 LEU A 979 71.067 3.962 5.353 1.00 1.00 H new ATOM 367 N LEU A 980 66.978 5.088 1.637 1.00 1.00 N ATOM 368 CA LEU A 980 66.947 5.861 0.392 1.00 1.00 C ATOM 369 C LEU A 980 65.888 6.960 0.451 1.00 1.00 C ATOM 370 O LEU A 980 66.114 8.072 -0.035 1.00 1.00 O ATOM 371 CB LEU A 980 66.622 4.961 -0.801 1.00 1.00 C ATOM 372 CG LEU A 980 67.797 4.029 -1.117 1.00 1.00 C ATOM 373 CD1 LEU A 980 67.376 3.041 -2.223 1.00 1.00 C ATOM 374 CD2 LEU A 980 68.993 4.855 -1.606 1.00 1.00 C ATOM 0 H LEU A 980 66.755 4.098 1.533 1.00 1.00 H new ATOM 0 HA LEU A 980 67.936 6.304 0.271 1.00 1.00 H new ATOM 0 HB2 LEU A 980 65.732 4.370 -0.585 1.00 1.00 H new ATOM 0 HB3 LEU A 980 66.394 5.574 -1.673 1.00 1.00 H new ATOM 0 HG LEU A 980 68.078 3.481 -0.218 1.00 1.00 H new ATOM 0 HD11 LEU A 980 68.208 2.375 -2.452 1.00 1.00 H new ATOM 0 HD12 LEU A 980 66.524 2.453 -1.881 1.00 1.00 H new ATOM 0 HD13 LEU A 980 67.097 3.595 -3.119 1.00 1.00 H new ATOM 0 HD21 LEU A 980 69.827 4.190 -1.830 1.00 1.00 H new ATOM 0 HD22 LEU A 980 68.713 5.402 -2.506 1.00 1.00 H new ATOM 0 HD23 LEU A 980 69.290 5.560 -0.830 1.00 1.00 H new ATOM 386 N THR A 981 64.735 6.641 1.020 1.00 1.00 N ATOM 387 CA THR A 981 63.654 7.620 1.108 1.00 1.00 C ATOM 388 C THR A 981 64.102 8.826 1.920 1.00 1.00 C ATOM 389 O THR A 981 63.900 9.968 1.503 1.00 1.00 O ATOM 390 CB THR A 981 62.418 6.994 1.763 1.00 1.00 C ATOM 391 OG1 THR A 981 61.969 5.904 0.957 1.00 1.00 O ATOM 392 CG2 THR A 981 61.303 8.052 1.861 1.00 1.00 C ATOM 0 H THR A 981 64.522 5.728 1.423 1.00 1.00 H new ATOM 0 HA THR A 981 63.399 7.940 0.098 1.00 1.00 H new ATOM 0 HB THR A 981 62.668 6.637 2.762 1.00 1.00 H new ATOM 0 HG1 THR A 981 62.610 5.165 1.019 1.00 1.00 H new ATOM 0 HG21 THR A 981 60.422 7.610 2.327 1.00 1.00 H new ATOM 0 HG22 THR A 981 61.650 8.891 2.464 1.00 1.00 H new ATOM 0 HG23 THR A 981 61.047 8.405 0.862 1.00 1.00 H new ATOM 400 N ILE A 982 64.697 8.577 3.086 1.00 1.00 N ATOM 401 CA ILE A 982 65.140 9.684 3.942 1.00 1.00 C ATOM 402 C ILE A 982 66.222 10.532 3.261 1.00 1.00 C ATOM 403 O ILE A 982 66.165 11.761 3.310 1.00 1.00 O ATOM 404 CB ILE A 982 65.678 9.152 5.282 1.00 1.00 C ATOM 405 CG1 ILE A 982 64.615 8.267 5.964 1.00 1.00 C ATOM 406 CG2 ILE A 982 66.067 10.316 6.199 1.00 1.00 C ATOM 407 CD1 ILE A 982 63.322 9.060 6.207 1.00 1.00 C ATOM 0 H ILE A 982 64.882 7.644 3.456 1.00 1.00 H new ATOM 0 HA ILE A 982 64.270 10.316 4.122 1.00 1.00 H new ATOM 0 HB ILE A 982 66.566 8.550 5.090 1.00 1.00 H new ATOM 0 HG12 ILE A 982 64.403 7.399 5.340 1.00 1.00 H new ATOM 0 HG13 ILE A 982 65.001 7.892 6.912 1.00 1.00 H new ATOM 0 HG21 ILE A 982 66.446 9.925 7.143 1.00 1.00 H new ATOM 0 HG22 ILE A 982 66.840 10.915 5.718 1.00 1.00 H new ATOM 0 HG23 ILE A 982 65.192 10.938 6.389 1.00 1.00 H new ATOM 0 HD11 ILE A 982 62.586 8.417 6.689 1.00 1.00 H new ATOM 0 HD12 ILE A 982 63.534 9.914 6.850 1.00 1.00 H new ATOM 0 HD13 ILE A 982 62.927 9.413 5.254 1.00 1.00 H new ATOM 419 N LEU A 983 67.198 9.889 2.631 1.00 1.00 N ATOM 420 CA LEU A 983 68.265 10.615 1.961 1.00 1.00 C ATOM 421 C LEU A 983 67.699 11.466 0.822 1.00 1.00 C ATOM 422 O LEU A 983 68.091 12.617 0.658 1.00 1.00 O ATOM 423 CB LEU A 983 69.293 9.630 1.394 1.00 1.00 C ATOM 424 CG LEU A 983 70.052 8.972 2.546 1.00 1.00 C ATOM 425 CD1 LEU A 983 70.905 7.824 1.995 1.00 1.00 C ATOM 426 CD2 LEU A 983 70.958 10.002 3.247 1.00 1.00 C ATOM 0 H LEU A 983 67.271 8.873 2.571 1.00 1.00 H new ATOM 0 HA LEU A 983 68.747 11.268 2.689 1.00 1.00 H new ATOM 0 HB2 LEU A 983 68.793 8.871 0.792 1.00 1.00 H new ATOM 0 HB3 LEU A 983 69.988 10.151 0.736 1.00 1.00 H new ATOM 0 HG LEU A 983 69.337 8.586 3.272 1.00 1.00 H new ATOM 0 HD11 LEU A 983 71.449 7.350 2.812 1.00 1.00 H new ATOM 0 HD12 LEU A 983 70.259 7.089 1.515 1.00 1.00 H new ATOM 0 HD13 LEU A 983 71.614 8.215 1.266 1.00 1.00 H new ATOM 0 HD21 LEU A 983 71.492 9.519 4.065 1.00 1.00 H new ATOM 0 HD22 LEU A 983 71.676 10.402 2.531 1.00 1.00 H new ATOM 0 HD23 LEU A 983 70.348 10.814 3.642 1.00 1.00 H new ATOM 438 N VAL A 984 66.777 10.889 0.043 1.00 1.00 N ATOM 439 CA VAL A 984 66.165 11.608 -1.081 1.00 1.00 C ATOM 440 C VAL A 984 65.402 12.834 -0.598 1.00 1.00 C ATOM 441 O VAL A 984 65.526 13.913 -1.171 1.00 1.00 O ATOM 442 CB VAL A 984 65.203 10.685 -1.835 1.00 1.00 C ATOM 443 CG1 VAL A 984 64.435 11.499 -2.887 1.00 1.00 C ATOM 444 CG2 VAL A 984 66.012 9.589 -2.534 1.00 1.00 C ATOM 0 H VAL A 984 66.440 9.934 0.168 1.00 1.00 H new ATOM 0 HA VAL A 984 66.966 11.931 -1.745 1.00 1.00 H new ATOM 0 HB VAL A 984 64.497 10.237 -1.136 1.00 1.00 H new ATOM 0 HG11 VAL A 984 63.750 10.844 -3.425 1.00 1.00 H new ATOM 0 HG12 VAL A 984 63.869 12.289 -2.394 1.00 1.00 H new ATOM 0 HG13 VAL A 984 65.140 11.942 -3.590 1.00 1.00 H new ATOM 0 HG21 VAL A 984 65.336 8.926 -3.074 1.00 1.00 H new ATOM 0 HG22 VAL A 984 66.711 10.044 -3.236 1.00 1.00 H new ATOM 0 HG23 VAL A 984 66.566 9.015 -1.791 1.00 1.00 H new ATOM 454 N LEU A 985 64.610 12.663 0.441 1.00 1.00 N ATOM 455 CA LEU A 985 63.838 13.777 0.973 1.00 1.00 C ATOM 456 C LEU A 985 64.767 14.864 1.500 1.00 1.00 C ATOM 457 O LEU A 985 64.523 16.054 1.294 1.00 1.00 O ATOM 458 CB LEU A 985 62.926 13.287 2.091 1.00 1.00 C ATOM 459 CG LEU A 985 61.825 12.392 1.513 1.00 1.00 C ATOM 460 CD1 LEU A 985 61.049 11.754 2.666 1.00 1.00 C ATOM 461 CD2 LEU A 985 60.862 13.209 0.643 1.00 1.00 C ATOM 0 H LEU A 985 64.482 11.778 0.931 1.00 1.00 H new ATOM 0 HA LEU A 985 63.230 14.196 0.171 1.00 1.00 H new ATOM 0 HB2 LEU A 985 63.506 12.733 2.829 1.00 1.00 H new ATOM 0 HB3 LEU A 985 62.481 14.137 2.608 1.00 1.00 H new ATOM 0 HG LEU A 985 62.284 11.622 0.893 1.00 1.00 H new ATOM 0 HD11 LEU A 985 60.262 11.115 2.265 1.00 1.00 H new ATOM 0 HD12 LEU A 985 61.728 11.156 3.275 1.00 1.00 H new ATOM 0 HD13 LEU A 985 60.603 12.536 3.281 1.00 1.00 H new ATOM 0 HD21 LEU A 985 60.088 12.554 0.243 1.00 1.00 H new ATOM 0 HD22 LEU A 985 60.400 13.990 1.247 1.00 1.00 H new ATOM 0 HD23 LEU A 985 61.413 13.665 -0.180 1.00 1.00 H new ATOM 473 N ALA A 986 65.823 14.473 2.199 1.00 1.00 N ATOM 474 CA ALA A 986 66.753 15.458 2.743 1.00 1.00 C ATOM 475 C ALA A 986 67.434 16.274 1.631 1.00 1.00 C ATOM 476 O ALA A 986 67.553 17.494 1.732 1.00 1.00 O ATOM 477 CB ALA A 986 67.820 14.751 3.577 1.00 1.00 C ATOM 0 H ALA A 986 66.057 13.501 2.401 1.00 1.00 H new ATOM 0 HA ALA A 986 66.182 16.146 3.366 1.00 1.00 H new ATOM 0 HB1 ALA A 986 68.513 15.488 3.982 1.00 1.00 H new ATOM 0 HB2 ALA A 986 67.344 14.212 4.396 1.00 1.00 H new ATOM 0 HB3 ALA A 986 68.366 14.047 2.949 1.00 1.00 H new ATOM 483 N MET A 987 67.870 15.601 0.574 1.00 1.00 N ATOM 484 CA MET A 987 68.548 16.299 -0.533 1.00 1.00 C ATOM 485 C MET A 987 67.601 17.275 -1.237 1.00 1.00 C ATOM 486 O MET A 987 67.981 18.413 -1.554 1.00 1.00 O ATOM 487 CB MET A 987 69.060 15.287 -1.553 1.00 1.00 C ATOM 488 CG MET A 987 70.256 14.543 -0.965 1.00 1.00 C ATOM 489 SD MET A 987 70.856 13.322 -2.160 1.00 1.00 S ATOM 490 CE MET A 987 71.997 12.434 -1.065 1.00 1.00 C ATOM 0 H MET A 987 67.774 14.593 0.451 1.00 1.00 H new ATOM 0 HA MET A 987 69.381 16.860 -0.110 1.00 1.00 H new ATOM 0 HB2 MET A 987 68.270 14.582 -1.812 1.00 1.00 H new ATOM 0 HB3 MET A 987 69.349 15.795 -2.473 1.00 1.00 H new ATOM 0 HG2 MET A 987 71.051 15.247 -0.719 1.00 1.00 H new ATOM 0 HG3 MET A 987 69.970 14.049 -0.037 1.00 1.00 H new ATOM 0 HE1 MET A 987 72.478 11.627 -1.618 1.00 1.00 H new ATOM 0 HE2 MET A 987 72.756 13.123 -0.694 1.00 1.00 H new ATOM 0 HE3 MET A 987 71.443 12.017 -0.224 1.00 1.00 H new ATOM 500 N TRP A 988 66.360 16.834 -1.463 1.00 1.00 N ATOM 501 CA TRP A 988 65.362 17.674 -2.118 1.00 1.00 C ATOM 502 C TRP A 988 65.092 18.900 -1.244 1.00 1.00 C ATOM 503 O TRP A 988 65.003 20.026 -1.736 1.00 1.00 O ATOM 504 CB TRP A 988 64.083 16.849 -2.300 1.00 1.00 C ATOM 505 CG TRP A 988 63.319 17.302 -3.496 1.00 1.00 C ATOM 506 CD1 TRP A 988 63.369 18.534 -4.046 1.00 1.00 C ATOM 507 CD2 TRP A 988 62.383 16.530 -4.303 1.00 1.00 C ATOM 508 NE1 TRP A 988 62.532 18.565 -5.146 1.00 1.00 N ATOM 509 CE2 TRP A 988 61.899 17.354 -5.343 1.00 1.00 C ATOM 510 CE3 TRP A 988 61.917 15.204 -4.231 1.00 1.00 C ATOM 511 CZ2 TRP A 988 60.982 16.883 -6.282 1.00 1.00 C ATOM 512 CZ3 TRP A 988 60.994 14.726 -5.175 1.00 1.00 C ATOM 513 CH2 TRP A 988 60.527 15.562 -6.196 1.00 1.00 C ATOM 0 H TRP A 988 66.027 15.906 -1.203 1.00 1.00 H new ATOM 0 HA TRP A 988 65.716 18.011 -3.092 1.00 1.00 H new ATOM 0 HB2 TRP A 988 64.338 15.795 -2.406 1.00 1.00 H new ATOM 0 HB3 TRP A 988 63.459 16.938 -1.411 1.00 1.00 H new ATOM 0 HD1 TRP A 988 63.965 19.360 -3.686 1.00 1.00 H new ATOM 0 HE1 TRP A 988 62.398 19.383 -5.740 1.00 1.00 H new ATOM 0 HE3 TRP A 988 62.271 14.551 -3.446 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 60.626 17.532 -7.069 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 60.642 13.707 -5.113 1.00 1.00 H new ATOM 0 HH2 TRP A 988 59.816 15.188 -6.917 1.00 1.00 H new ATOM 524 N LYS A 989 64.944 18.691 0.054 1.00 1.00 N ATOM 525 CA LYS A 989 64.668 19.798 0.953 1.00 1.00 C ATOM 526 C LYS A 989 65.787 20.828 0.934 1.00 1.00 C ATOM 527 O LYS A 989 65.552 22.022 1.106 1.00 1.00 O ATOM 528 CB LYS A 989 64.485 19.276 2.373 1.00 1.00 C ATOM 529 CG LYS A 989 64.035 20.423 3.270 1.00 1.00 C ATOM 530 CD LYS A 989 63.754 19.884 4.672 1.00 1.00 C ATOM 531 CE LYS A 989 63.257 21.020 5.573 1.00 1.00 C ATOM 532 NZ LYS A 989 64.350 22.017 5.767 1.00 1.00 N ATOM 0 H LYS A 989 65.009 17.778 0.504 1.00 1.00 H new ATOM 0 HA LYS A 989 63.753 20.283 0.612 1.00 1.00 H new ATOM 0 HB2 LYS A 989 63.746 18.475 2.387 1.00 1.00 H new ATOM 0 HB3 LYS A 989 65.420 18.854 2.742 1.00 1.00 H new ATOM 0 HG2 LYS A 989 64.806 21.192 3.311 1.00 1.00 H new ATOM 0 HG3 LYS A 989 63.139 20.891 2.861 1.00 1.00 H new ATOM 0 HD2 LYS A 989 63.007 19.092 4.624 1.00 1.00 H new ATOM 0 HD3 LYS A 989 64.659 19.444 5.091 1.00 1.00 H new ATOM 0 HE2 LYS A 989 62.388 21.501 5.124 1.00 1.00 H new ATOM 0 HE3 LYS A 989 62.939 20.621 6.536 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 64.128 22.620 6.585 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 65.247 21.520 5.937 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 64.437 22.607 4.915 1.00 1.00 H new ATOM 546 N VAL A 990 67.005 20.354 0.731 1.00 1.00 N ATOM 547 CA VAL A 990 68.159 21.238 0.695 1.00 1.00 C ATOM 548 C VAL A 990 68.207 21.937 -0.647 1.00 1.00 C ATOM 549 O VAL A 990 69.088 22.760 -0.900 1.00 1.00 O ATOM 550 CB VAL A 990 69.448 20.437 0.910 1.00 1.00 C ATOM 551 CG1 VAL A 990 70.659 21.373 0.886 1.00 1.00 C ATOM 552 CG2 VAL A 990 69.390 19.727 2.262 1.00 1.00 C ATOM 0 H VAL A 990 67.220 19.367 0.589 1.00 1.00 H new ATOM 0 HA VAL A 990 68.072 21.977 1.492 1.00 1.00 H new ATOM 0 HB VAL A 990 69.544 19.702 0.110 1.00 1.00 H new ATOM 0 HG11 VAL A 990 71.570 20.794 1.040 1.00 1.00 H new ATOM 0 HG12 VAL A 990 70.709 21.879 -0.078 1.00 1.00 H new ATOM 0 HG13 VAL A 990 70.562 22.114 1.680 1.00 1.00 H new ATOM 0 HG21 VAL A 990 70.307 19.158 2.414 1.00 1.00 H new ATOM 0 HG22 VAL A 990 69.286 20.466 3.057 1.00 1.00 H new ATOM 0 HG23 VAL A 990 68.536 19.050 2.281 1.00 1.00 H new ATOM 562 N GLY A 991 67.259 21.599 -1.511 1.00 1.00 N ATOM 563 CA GLY A 991 67.198 22.187 -2.822 1.00 1.00 C ATOM 564 C GLY A 991 68.380 21.700 -3.631 1.00 1.00 C ATOM 565 O GLY A 991 68.689 22.264 -4.679 1.00 1.00 O ATOM 0 H GLY A 991 66.525 20.918 -1.317 1.00 1.00 H new ATOM 0 HA2 GLY A 991 66.265 21.914 -3.315 1.00 1.00 H new ATOM 0 HA3 GLY A 991 67.213 23.274 -2.749 1.00 1.00 H new ATOM 569 N PHE A 992 69.070 20.679 -3.142 1.00 1.00 N ATOM 570 CA PHE A 992 70.240 20.166 -3.829 1.00 1.00 C ATOM 571 C PHE A 992 69.832 19.853 -5.264 1.00 1.00 C ATOM 572 O PHE A 992 70.510 20.218 -6.223 1.00 1.00 O ATOM 573 CB PHE A 992 70.717 18.891 -3.112 1.00 1.00 C ATOM 574 CG PHE A 992 72.210 18.657 -3.285 1.00 1.00 C ATOM 575 CD1 PHE A 992 72.908 19.111 -4.417 1.00 1.00 C ATOM 576 CD2 PHE A 992 72.902 17.974 -2.275 1.00 1.00 C ATOM 577 CE1 PHE A 992 74.285 18.881 -4.530 1.00 1.00 C ATOM 578 CE2 PHE A 992 74.277 17.746 -2.392 1.00 1.00 C ATOM 579 CZ PHE A 992 74.969 18.199 -3.515 1.00 1.00 C ATOM 0 H PHE A 992 68.839 20.193 -2.275 1.00 1.00 H new ATOM 0 HA PHE A 992 71.054 20.891 -3.827 1.00 1.00 H new ATOM 0 HB2 PHE A 992 70.484 18.965 -2.050 1.00 1.00 H new ATOM 0 HB3 PHE A 992 70.169 18.032 -3.500 1.00 1.00 H new ATOM 0 HD1 PHE A 992 72.383 19.637 -5.200 1.00 1.00 H new ATOM 0 HD2 PHE A 992 72.371 17.622 -1.403 1.00 1.00 H new ATOM 0 HE1 PHE A 992 74.820 19.230 -5.401 1.00 1.00 H new ATOM 0 HE2 PHE A 992 74.804 17.218 -1.611 1.00 1.00 H new ATOM 0 HZ PHE A 992 76.031 18.024 -3.602 1.00 1.00 H new ATOM 589 N PHE A 993 68.674 19.225 -5.403 1.00 1.00 N ATOM 590 CA PHE A 993 68.162 18.921 -6.735 1.00 1.00 C ATOM 591 C PHE A 993 67.460 20.145 -7.334 1.00 1.00 C ATOM 592 O PHE A 993 67.097 20.151 -8.512 1.00 1.00 O ATOM 593 CB PHE A 993 67.190 17.746 -6.683 1.00 1.00 C ATOM 594 CG PHE A 993 67.966 16.473 -6.460 1.00 1.00 C ATOM 595 CD1 PHE A 993 68.752 15.943 -7.492 1.00 1.00 C ATOM 596 CD2 PHE A 993 67.902 15.819 -5.226 1.00 1.00 C ATOM 597 CE1 PHE A 993 69.473 14.764 -7.288 1.00 1.00 C ATOM 598 CE2 PHE A 993 68.625 14.638 -5.022 1.00 1.00 C ATOM 599 CZ PHE A 993 69.412 14.109 -6.053 1.00 1.00 C ATOM 0 H PHE A 993 68.081 18.921 -4.631 1.00 1.00 H new ATOM 0 HA PHE A 993 69.008 18.652 -7.367 1.00 1.00 H new ATOM 0 HB2 PHE A 993 66.467 17.891 -5.880 1.00 1.00 H new ATOM 0 HB3 PHE A 993 66.625 17.684 -7.613 1.00 1.00 H new ATOM 0 HD1 PHE A 993 68.800 16.447 -8.446 1.00 1.00 H new ATOM 0 HD2 PHE A 993 67.295 16.225 -4.430 1.00 1.00 H new ATOM 0 HE1 PHE A 993 70.078 14.357 -8.085 1.00 1.00 H new ATOM 0 HE2 PHE A 993 68.576 14.134 -4.068 1.00 1.00 H new ATOM 0 HZ PHE A 993 69.970 13.198 -5.895 1.00 1.00 H new ATOM 804 N ASP B 692 76.937 -15.883 7.354 1.00 1.00 N ATOM 805 CA ASP B 692 76.318 -15.312 8.546 1.00 1.00 C ATOM 806 C ASP B 692 75.106 -14.472 8.163 1.00 1.00 C ATOM 807 O ASP B 692 75.115 -13.771 7.149 1.00 1.00 O ATOM 808 CB ASP B 692 77.329 -14.438 9.293 1.00 1.00 C ATOM 809 CG ASP B 692 78.393 -15.311 9.948 1.00 1.00 C ATOM 810 OD1 ASP B 692 78.170 -16.507 10.048 1.00 1.00 O ATOM 811 OD2 ASP B 692 79.415 -14.770 10.339 1.00 1.00 O ATOM 0 HA ASP B 692 75.996 -16.128 9.193 1.00 1.00 H new ATOM 0 HB2 ASP B 692 77.797 -13.738 8.601 1.00 1.00 H new ATOM 0 HB3 ASP B 692 76.818 -13.844 10.051 1.00 1.00 H new ATOM 816 N ILE B 693 74.049 -14.586 8.964 1.00 1.00 N ATOM 817 CA ILE B 693 72.799 -13.882 8.705 1.00 1.00 C ATOM 818 C ILE B 693 72.975 -12.364 8.743 1.00 1.00 C ATOM 819 O ILE B 693 72.443 -11.652 7.892 1.00 1.00 O ATOM 820 CB ILE B 693 71.751 -14.281 9.747 1.00 1.00 C ATOM 821 CG1 ILE B 693 71.347 -15.743 9.539 1.00 1.00 C ATOM 822 CG2 ILE B 693 70.522 -13.383 9.595 1.00 1.00 C ATOM 823 CD1 ILE B 693 70.519 -16.220 10.734 1.00 1.00 C ATOM 0 H ILE B 693 74.036 -15.165 9.804 1.00 1.00 H new ATOM 0 HA ILE B 693 72.473 -14.165 7.704 1.00 1.00 H new ATOM 0 HB ILE B 693 72.169 -14.164 10.747 1.00 1.00 H new ATOM 0 HG12 ILE B 693 70.770 -15.844 8.620 1.00 1.00 H new ATOM 0 HG13 ILE B 693 72.236 -16.364 9.428 1.00 1.00 H new ATOM 0 HG21 ILE B 693 69.773 -13.663 10.335 1.00 1.00 H new ATOM 0 HG22 ILE B 693 70.810 -12.343 9.747 1.00 1.00 H new ATOM 0 HG23 ILE B 693 70.106 -13.502 8.595 1.00 1.00 H new ATOM 0 HD11 ILE B 693 70.232 -17.261 10.585 1.00 1.00 H new ATOM 0 HD12 ILE B 693 71.111 -16.134 11.645 1.00 1.00 H new ATOM 0 HD13 ILE B 693 69.623 -15.606 10.824 1.00 1.00 H new ATOM 835 N LEU B 694 73.709 -11.866 9.727 1.00 1.00 N ATOM 836 CA LEU B 694 73.927 -10.425 9.846 1.00 1.00 C ATOM 837 C LEU B 694 74.696 -9.881 8.640 1.00 1.00 C ATOM 838 O LEU B 694 74.385 -8.804 8.134 1.00 1.00 O ATOM 839 CB LEU B 694 74.705 -10.118 11.130 1.00 1.00 C ATOM 840 CG LEU B 694 73.817 -10.400 12.350 1.00 1.00 C ATOM 841 CD1 LEU B 694 74.657 -10.304 13.627 1.00 1.00 C ATOM 842 CD2 LEU B 694 72.671 -9.383 12.423 1.00 1.00 C ATOM 0 H LEU B 694 74.161 -12.428 10.449 1.00 1.00 H new ATOM 0 HA LEU B 694 72.952 -9.939 9.882 1.00 1.00 H new ATOM 0 HB2 LEU B 694 75.607 -10.728 11.175 1.00 1.00 H new ATOM 0 HB3 LEU B 694 75.025 -9.076 11.133 1.00 1.00 H new ATOM 0 HG LEU B 694 73.399 -11.402 12.255 1.00 1.00 H new ATOM 0 HD11 LEU B 694 74.026 -10.504 14.493 1.00 1.00 H new ATOM 0 HD12 LEU B 694 75.463 -11.036 13.588 1.00 1.00 H new ATOM 0 HD13 LEU B 694 75.080 -9.303 13.710 1.00 1.00 H new ATOM 0 HD21 LEU B 694 72.050 -9.596 13.293 1.00 1.00 H new ATOM 0 HD22 LEU B 694 73.082 -8.377 12.508 1.00 1.00 H new ATOM 0 HD23 LEU B 694 72.065 -9.452 11.520 1.00 1.00 H new ATOM 854 N VAL B 695 75.714 -10.620 8.202 1.00 1.00 N ATOM 855 CA VAL B 695 76.538 -10.182 7.075 1.00 1.00 C ATOM 856 C VAL B 695 75.726 -10.052 5.786 1.00 1.00 C ATOM 857 O VAL B 695 75.844 -9.053 5.073 1.00 1.00 O ATOM 858 CB VAL B 695 77.681 -11.173 6.856 1.00 1.00 C ATOM 859 CG1 VAL B 695 78.401 -10.840 5.550 1.00 1.00 C ATOM 860 CG2 VAL B 695 78.672 -11.073 8.017 1.00 1.00 C ATOM 0 H VAL B 695 75.987 -11.516 8.605 1.00 1.00 H new ATOM 0 HA VAL B 695 76.934 -9.197 7.322 1.00 1.00 H new ATOM 0 HB VAL B 695 77.278 -12.184 6.804 1.00 1.00 H new ATOM 0 HG11 VAL B 695 79.216 -11.546 5.394 1.00 1.00 H new ATOM 0 HG12 VAL B 695 77.698 -10.907 4.720 1.00 1.00 H new ATOM 0 HG13 VAL B 695 78.803 -9.828 5.604 1.00 1.00 H new ATOM 0 HG21 VAL B 695 79.487 -11.780 7.861 1.00 1.00 H new ATOM 0 HG22 VAL B 695 79.073 -10.061 8.067 1.00 1.00 H new ATOM 0 HG23 VAL B 695 78.162 -11.307 8.952 1.00 1.00 H new ATOM 870 N VAL B 696 74.901 -11.045 5.478 1.00 1.00 N ATOM 871 CA VAL B 696 74.099 -10.975 4.260 1.00 1.00 C ATOM 872 C VAL B 696 73.089 -9.834 4.347 1.00 1.00 C ATOM 873 O VAL B 696 72.851 -9.128 3.368 1.00 1.00 O ATOM 874 CB VAL B 696 73.378 -12.298 3.998 1.00 1.00 C ATOM 875 CG1 VAL B 696 74.405 -13.381 3.670 1.00 1.00 C ATOM 876 CG2 VAL B 696 72.601 -12.710 5.240 1.00 1.00 C ATOM 0 H VAL B 696 74.770 -11.888 6.037 1.00 1.00 H new ATOM 0 HA VAL B 696 74.775 -10.783 3.427 1.00 1.00 H new ATOM 0 HB VAL B 696 72.692 -12.174 3.160 1.00 1.00 H new ATOM 0 HG11 VAL B 696 73.892 -14.324 3.483 1.00 1.00 H new ATOM 0 HG12 VAL B 696 74.968 -13.092 2.782 1.00 1.00 H new ATOM 0 HG13 VAL B 696 75.089 -13.500 4.510 1.00 1.00 H new ATOM 0 HG21 VAL B 696 72.088 -13.653 5.052 1.00 1.00 H new ATOM 0 HG22 VAL B 696 73.290 -12.832 6.076 1.00 1.00 H new ATOM 0 HG23 VAL B 696 71.868 -11.940 5.483 1.00 1.00 H new ATOM 886 N LEU B 697 72.483 -9.668 5.520 1.00 1.00 N ATOM 887 CA LEU B 697 71.488 -8.622 5.718 1.00 1.00 C ATOM 888 C LEU B 697 72.088 -7.231 5.514 1.00 1.00 C ATOM 889 O LEU B 697 71.486 -6.376 4.863 1.00 1.00 O ATOM 890 CB LEU B 697 70.933 -8.744 7.147 1.00 1.00 C ATOM 891 CG LEU B 697 69.932 -7.623 7.445 1.00 1.00 C ATOM 892 CD1 LEU B 697 68.815 -7.644 6.412 1.00 1.00 C ATOM 893 CD2 LEU B 697 69.330 -7.838 8.833 1.00 1.00 C ATOM 0 H LEU B 697 72.664 -10.242 6.343 1.00 1.00 H new ATOM 0 HA LEU B 697 70.693 -8.748 4.983 1.00 1.00 H new ATOM 0 HB2 LEU B 697 70.448 -9.712 7.271 1.00 1.00 H new ATOM 0 HB3 LEU B 697 71.753 -8.704 7.864 1.00 1.00 H new ATOM 0 HG LEU B 697 70.446 -6.663 7.407 1.00 1.00 H new ATOM 0 HD11 LEU B 697 68.105 -6.845 6.627 1.00 1.00 H new ATOM 0 HD12 LEU B 697 69.236 -7.497 5.418 1.00 1.00 H new ATOM 0 HD13 LEU B 697 68.302 -8.605 6.450 1.00 1.00 H new ATOM 0 HD21 LEU B 697 68.617 -7.042 9.048 1.00 1.00 H new ATOM 0 HD22 LEU B 697 68.819 -8.800 8.863 1.00 1.00 H new ATOM 0 HD23 LEU B 697 70.124 -7.826 9.580 1.00 1.00 H new ATOM 905 N LEU B 698 73.279 -7.016 6.064 1.00 1.00 N ATOM 906 CA LEU B 698 73.950 -5.727 5.926 1.00 1.00 C ATOM 907 C LEU B 698 74.289 -5.449 4.467 1.00 1.00 C ATOM 908 O LEU B 698 74.130 -4.330 3.977 1.00 1.00 O ATOM 909 CB LEU B 698 75.234 -5.711 6.759 1.00 1.00 C ATOM 910 CG LEU B 698 74.882 -5.706 8.251 1.00 1.00 C ATOM 911 CD1 LEU B 698 76.156 -5.925 9.069 1.00 1.00 C ATOM 912 CD2 LEU B 698 74.239 -4.365 8.643 1.00 1.00 C ATOM 0 H LEU B 698 73.796 -7.710 6.604 1.00 1.00 H new ATOM 0 HA LEU B 698 73.274 -4.951 6.285 1.00 1.00 H new ATOM 0 HB2 LEU B 698 75.843 -6.583 6.522 1.00 1.00 H new ATOM 0 HB3 LEU B 698 75.828 -4.831 6.513 1.00 1.00 H new ATOM 0 HG LEU B 698 74.171 -6.507 8.454 1.00 1.00 H new ATOM 0 HD11 LEU B 698 75.911 -5.922 10.131 1.00 1.00 H new ATOM 0 HD12 LEU B 698 76.600 -6.884 8.801 1.00 1.00 H new ATOM 0 HD13 LEU B 698 76.866 -5.125 8.858 1.00 1.00 H new ATOM 0 HD21 LEU B 698 73.994 -4.376 9.705 1.00 1.00 H new ATOM 0 HD22 LEU B 698 74.938 -3.553 8.440 1.00 1.00 H new ATOM 0 HD23 LEU B 698 73.329 -4.214 8.062 1.00 1.00 H new ATOM 924 N SER B 699 74.766 -6.477 3.784 1.00 1.00 N ATOM 925 CA SER B 699 75.140 -6.357 2.383 1.00 1.00 C ATOM 926 C SER B 699 73.945 -6.006 1.500 1.00 1.00 C ATOM 927 O SER B 699 74.076 -5.220 0.562 1.00 1.00 O ATOM 928 CB SER B 699 75.769 -7.670 1.929 1.00 1.00 C ATOM 929 OG SER B 699 74.883 -8.738 2.231 1.00 1.00 O ATOM 0 H SER B 699 74.904 -7.408 4.178 1.00 1.00 H new ATOM 0 HA SER B 699 75.857 -5.542 2.284 1.00 1.00 H new ATOM 0 HB2 SER B 699 75.971 -7.640 0.858 1.00 1.00 H new ATOM 0 HB3 SER B 699 76.725 -7.822 2.429 1.00 1.00 H new ATOM 0 HG SER B 699 74.106 -8.391 2.717 1.00 1.00 H new ATOM 935 N VAL B 700 72.781 -6.585 1.789 1.00 1.00 N ATOM 936 CA VAL B 700 71.591 -6.300 0.984 1.00 1.00 C ATOM 937 C VAL B 700 71.207 -4.828 1.109 1.00 1.00 C ATOM 938 O VAL B 700 70.920 -4.164 0.117 1.00 1.00 O ATOM 939 CB VAL B 700 70.422 -7.176 1.441 1.00 1.00 C ATOM 940 CG1 VAL B 700 69.141 -6.745 0.720 1.00 1.00 C ATOM 941 CG2 VAL B 700 70.727 -8.635 1.105 1.00 1.00 C ATOM 0 H VAL B 700 72.635 -7.240 2.557 1.00 1.00 H new ATOM 0 HA VAL B 700 71.818 -6.521 -0.059 1.00 1.00 H new ATOM 0 HB VAL B 700 70.284 -7.066 2.517 1.00 1.00 H new ATOM 0 HG11 VAL B 700 68.311 -7.371 1.048 1.00 1.00 H new ATOM 0 HG12 VAL B 700 68.924 -5.703 0.955 1.00 1.00 H new ATOM 0 HG13 VAL B 700 69.275 -6.854 -0.356 1.00 1.00 H new ATOM 0 HG21 VAL B 700 69.898 -9.264 1.428 1.00 1.00 H new ATOM 0 HG22 VAL B 700 70.864 -8.740 0.029 1.00 1.00 H new ATOM 0 HG23 VAL B 700 71.638 -8.944 1.618 1.00 1.00 H new ATOM 951 N MET B 701 71.218 -4.333 2.336 1.00 1.00 N ATOM 952 CA MET B 701 70.872 -2.937 2.581 1.00 1.00 C ATOM 953 C MET B 701 71.862 -2.011 1.884 1.00 1.00 C ATOM 954 O MET B 701 71.464 -0.999 1.310 1.00 1.00 O ATOM 955 CB MET B 701 70.800 -2.640 4.078 1.00 1.00 C ATOM 956 CG MET B 701 69.487 -3.202 4.637 1.00 1.00 C ATOM 957 SD MET B 701 69.450 -2.988 6.434 1.00 1.00 S ATOM 958 CE MET B 701 69.270 -1.185 6.459 1.00 1.00 C ATOM 0 H MET B 701 71.459 -4.867 3.171 1.00 1.00 H new ATOM 0 HA MET B 701 69.882 -2.754 2.163 1.00 1.00 H new ATOM 0 HB2 MET B 701 71.650 -3.088 4.592 1.00 1.00 H new ATOM 0 HB3 MET B 701 70.853 -1.565 4.251 1.00 1.00 H new ATOM 0 HG2 MET B 701 68.638 -2.691 4.182 1.00 1.00 H new ATOM 0 HG3 MET B 701 69.395 -4.258 4.385 1.00 1.00 H new ATOM 0 HE1 MET B 701 68.518 -0.905 7.197 1.00 1.00 H new ATOM 0 HE2 MET B 701 70.224 -0.728 6.721 1.00 1.00 H new ATOM 0 HE3 MET B 701 68.959 -0.837 5.474 1.00 1.00 H new ATOM 968 N GLY B 702 73.146 -2.368 1.895 1.00 1.00 N ATOM 969 CA GLY B 702 74.156 -1.559 1.214 1.00 1.00 C ATOM 970 C GLY B 702 73.901 -1.552 -0.295 1.00 1.00 C ATOM 971 O GLY B 702 74.026 -0.519 -0.955 1.00 1.00 O ATOM 0 H GLY B 702 73.508 -3.200 2.361 1.00 1.00 H new ATOM 0 HA2 GLY B 702 74.135 -0.539 1.598 1.00 1.00 H new ATOM 0 HA3 GLY B 702 75.150 -1.956 1.420 1.00 1.00 H new ATOM 975 N ALA B 703 73.551 -2.720 -0.836 1.00 1.00 N ATOM 976 CA ALA B 703 73.286 -2.853 -2.270 1.00 1.00 C ATOM 977 C ALA B 703 72.109 -1.978 -2.679 1.00 1.00 C ATOM 978 O ALA B 703 72.124 -1.357 -3.741 1.00 1.00 O ATOM 979 CB ALA B 703 72.984 -4.313 -2.599 1.00 1.00 C ATOM 0 H ALA B 703 73.445 -3.585 -0.305 1.00 1.00 H new ATOM 0 HA ALA B 703 74.168 -2.528 -2.823 1.00 1.00 H new ATOM 0 HB1 ALA B 703 72.787 -4.412 -3.666 1.00 1.00 H new ATOM 0 HB2 ALA B 703 73.840 -4.931 -2.329 1.00 1.00 H new ATOM 0 HB3 ALA B 703 72.109 -4.639 -2.037 1.00 1.00 H new ATOM 985 N ILE B 704 71.109 -1.904 -1.810 1.00 1.00 N ATOM 986 CA ILE B 704 69.956 -1.065 -2.097 1.00 1.00 C ATOM 987 C ILE B 704 70.405 0.380 -2.194 1.00 1.00 C ATOM 988 O ILE B 704 69.975 1.111 -3.084 1.00 1.00 O ATOM 989 CB ILE B 704 68.909 -1.161 -0.981 1.00 1.00 C ATOM 990 CG1 ILE B 704 68.241 -2.547 -0.945 1.00 1.00 C ATOM 991 CG2 ILE B 704 67.844 -0.079 -1.175 1.00 1.00 C ATOM 992 CD1 ILE B 704 67.590 -2.877 -2.293 1.00 1.00 C ATOM 0 H ILE B 704 71.072 -2.403 -0.921 1.00 1.00 H new ATOM 0 HA ILE B 704 69.515 -1.406 -3.033 1.00 1.00 H new ATOM 0 HB ILE B 704 69.420 -1.011 -0.030 1.00 1.00 H new ATOM 0 HG12 ILE B 704 68.983 -3.306 -0.700 1.00 1.00 H new ATOM 0 HG13 ILE B 704 67.488 -2.572 -0.157 1.00 1.00 H new ATOM 0 HG21 ILE B 704 67.102 -0.152 -0.379 1.00 1.00 H new ATOM 0 HG22 ILE B 704 68.314 0.904 -1.144 1.00 1.00 H new ATOM 0 HG23 ILE B 704 67.356 -0.218 -2.140 1.00 1.00 H new ATOM 0 HD11 ILE B 704 67.125 -3.861 -2.241 1.00 1.00 H new ATOM 0 HD12 ILE B 704 66.831 -2.129 -2.523 1.00 1.00 H new ATOM 0 HD13 ILE B 704 68.350 -2.875 -3.074 1.00 1.00 H new ATOM 1004 N LEU B 705 71.278 0.788 -1.280 1.00 1.00 N ATOM 1005 CA LEU B 705 71.760 2.160 -1.280 1.00 1.00 C ATOM 1006 C LEU B 705 72.495 2.465 -2.578 1.00 1.00 C ATOM 1007 O LEU B 705 72.302 3.523 -3.170 1.00 1.00 O ATOM 1008 CB LEU B 705 72.716 2.372 -0.106 1.00 1.00 C ATOM 1009 CG LEU B 705 71.929 2.324 1.209 1.00 1.00 C ATOM 1010 CD1 LEU B 705 72.897 2.296 2.390 1.00 1.00 C ATOM 1011 CD2 LEU B 705 71.031 3.558 1.340 1.00 1.00 C ATOM 0 H LEU B 705 71.660 0.198 -0.541 1.00 1.00 H new ATOM 0 HA LEU B 705 70.903 2.827 -1.187 1.00 1.00 H new ATOM 0 HB2 LEU B 705 73.488 1.603 -0.108 1.00 1.00 H new ATOM 0 HB3 LEU B 705 73.222 3.332 -0.204 1.00 1.00 H new ATOM 0 HG LEU B 705 71.313 1.425 1.208 1.00 1.00 H new ATOM 0 HD11 LEU B 705 72.333 2.262 3.322 1.00 1.00 H new ATOM 0 HD12 LEU B 705 73.533 1.414 2.318 1.00 1.00 H new ATOM 0 HD13 LEU B 705 73.517 3.192 2.374 1.00 1.00 H new ATOM 0 HD21 LEU B 705 70.479 3.508 2.279 1.00 1.00 H new ATOM 0 HD22 LEU B 705 71.646 4.458 1.327 1.00 1.00 H new ATOM 0 HD23 LEU B 705 70.328 3.587 0.507 1.00 1.00 H new ATOM 1023 N LEU B 706 73.336 1.543 -3.017 1.00 1.00 N ATOM 1024 CA LEU B 706 74.085 1.749 -4.249 1.00 1.00 C ATOM 1025 C LEU B 706 73.140 1.866 -5.440 1.00 1.00 C ATOM 1026 O LEU B 706 73.327 2.714 -6.309 1.00 1.00 O ATOM 1027 CB LEU B 706 75.050 0.579 -4.471 1.00 1.00 C ATOM 1028 CG LEU B 706 76.175 0.627 -3.430 1.00 1.00 C ATOM 1029 CD1 LEU B 706 76.997 -0.665 -3.502 1.00 1.00 C ATOM 1030 CD2 LEU B 706 77.089 1.833 -3.689 1.00 1.00 C ATOM 0 H LEU B 706 73.517 0.656 -2.547 1.00 1.00 H new ATOM 0 HA LEU B 706 74.650 2.677 -4.159 1.00 1.00 H new ATOM 0 HB2 LEU B 706 74.513 -0.366 -4.396 1.00 1.00 H new ATOM 0 HB3 LEU B 706 75.470 0.628 -5.476 1.00 1.00 H new ATOM 0 HG LEU B 706 75.734 0.725 -2.438 1.00 1.00 H new ATOM 0 HD11 LEU B 706 77.796 -0.630 -2.762 1.00 1.00 H new ATOM 0 HD12 LEU B 706 76.351 -1.519 -3.298 1.00 1.00 H new ATOM 0 HD13 LEU B 706 77.429 -0.766 -4.498 1.00 1.00 H new ATOM 0 HD21 LEU B 706 77.883 1.855 -2.943 1.00 1.00 H new ATOM 0 HD22 LEU B 706 77.528 1.750 -4.683 1.00 1.00 H new ATOM 0 HD23 LEU B 706 76.506 2.752 -3.625 1.00 1.00 H new ATOM 1042 N ILE B 707 72.134 1.000 -5.479 1.00 1.00 N ATOM 1043 CA ILE B 707 71.184 1.010 -6.583 1.00 1.00 C ATOM 1044 C ILE B 707 70.389 2.316 -6.633 1.00 1.00 C ATOM 1045 O ILE B 707 70.209 2.896 -7.701 1.00 1.00 O ATOM 1046 CB ILE B 707 70.220 -0.169 -6.443 1.00 1.00 C ATOM 1047 CG1 ILE B 707 70.978 -1.478 -6.670 1.00 1.00 C ATOM 1048 CG2 ILE B 707 69.108 -0.037 -7.482 1.00 1.00 C ATOM 1049 CD1 ILE B 707 70.093 -2.653 -6.246 1.00 1.00 C ATOM 0 H ILE B 707 71.957 0.290 -4.768 1.00 1.00 H new ATOM 0 HA ILE B 707 71.749 0.924 -7.511 1.00 1.00 H new ATOM 0 HB ILE B 707 69.787 -0.171 -5.443 1.00 1.00 H new ATOM 0 HG12 ILE B 707 71.253 -1.575 -7.720 1.00 1.00 H new ATOM 0 HG13 ILE B 707 71.905 -1.480 -6.096 1.00 1.00 H new ATOM 0 HG21 ILE B 707 68.419 -0.876 -7.386 1.00 1.00 H new ATOM 0 HG22 ILE B 707 68.569 0.896 -7.321 1.00 1.00 H new ATOM 0 HG23 ILE B 707 69.542 -0.037 -8.482 1.00 1.00 H new ATOM 0 HD11 ILE B 707 70.629 -3.589 -6.406 1.00 1.00 H new ATOM 0 HD12 ILE B 707 69.840 -2.556 -5.190 1.00 1.00 H new ATOM 0 HD13 ILE B 707 69.179 -2.653 -6.840 1.00 1.00 H new ATOM 1061 N GLY B 708 69.922 2.775 -5.478 1.00 1.00 N ATOM 1062 CA GLY B 708 69.152 4.018 -5.419 1.00 1.00 C ATOM 1063 C GLY B 708 70.033 5.235 -5.697 1.00 1.00 C ATOM 1064 O GLY B 708 69.618 6.178 -6.373 1.00 1.00 O ATOM 0 H GLY B 708 70.059 2.314 -4.578 1.00 1.00 H new ATOM 0 HA2 GLY B 708 68.341 3.980 -6.147 1.00 1.00 H new ATOM 0 HA3 GLY B 708 68.693 4.117 -4.435 1.00 1.00 H new ATOM 1068 N LEU B 709 71.241 5.214 -5.153 1.00 1.00 N ATOM 1069 CA LEU B 709 72.197 6.305 -5.315 1.00 1.00 C ATOM 1070 C LEU B 709 72.698 6.474 -6.750 1.00 1.00 C ATOM 1071 O LEU B 709 72.931 7.597 -7.194 1.00 1.00 O ATOM 1072 CB LEU B 709 73.385 6.099 -4.374 1.00 1.00 C ATOM 1073 CG LEU B 709 72.936 6.327 -2.924 1.00 1.00 C ATOM 1074 CD1 LEU B 709 74.029 5.848 -1.965 1.00 1.00 C ATOM 1075 CD2 LEU B 709 72.671 7.818 -2.678 1.00 1.00 C ATOM 0 H LEU B 709 71.588 4.441 -4.586 1.00 1.00 H new ATOM 0 HA LEU B 709 71.663 7.221 -5.063 1.00 1.00 H new ATOM 0 HB2 LEU B 709 73.782 5.090 -4.488 1.00 1.00 H new ATOM 0 HB3 LEU B 709 74.189 6.789 -4.630 1.00 1.00 H new ATOM 0 HG LEU B 709 72.018 5.765 -2.750 1.00 1.00 H new ATOM 0 HD11 LEU B 709 73.708 6.011 -0.936 1.00 1.00 H new ATOM 0 HD12 LEU B 709 74.212 4.785 -2.124 1.00 1.00 H new ATOM 0 HD13 LEU B 709 74.947 6.406 -2.151 1.00 1.00 H new ATOM 0 HD21 LEU B 709 72.353 7.966 -1.646 1.00 1.00 H new ATOM 0 HD22 LEU B 709 73.584 8.385 -2.861 1.00 1.00 H new ATOM 0 HD23 LEU B 709 71.887 8.164 -3.352 1.00 1.00 H new ATOM 1087 N ALA B 710 72.918 5.369 -7.461 1.00 1.00 N ATOM 1088 CA ALA B 710 73.457 5.460 -8.816 1.00 1.00 C ATOM 1089 C ALA B 710 72.620 6.391 -9.704 1.00 1.00 C ATOM 1090 O ALA B 710 73.159 7.357 -10.238 1.00 1.00 O ATOM 1091 CB ALA B 710 73.582 4.070 -9.445 1.00 1.00 C ATOM 0 H ALA B 710 72.736 4.421 -7.131 1.00 1.00 H new ATOM 0 HA ALA B 710 74.454 5.895 -8.742 1.00 1.00 H new ATOM 0 HB1 ALA B 710 73.985 4.162 -10.453 1.00 1.00 H new ATOM 0 HB2 ALA B 710 74.251 3.456 -8.841 1.00 1.00 H new ATOM 0 HB3 ALA B 710 72.599 3.601 -9.489 1.00 1.00 H new ATOM 1097 N PRO B 711 71.334 6.158 -9.873 1.00 1.00 N ATOM 1098 CA PRO B 711 70.494 7.065 -10.709 1.00 1.00 C ATOM 1099 C PRO B 711 70.604 8.518 -10.254 1.00 1.00 C ATOM 1100 O PRO B 711 70.778 9.427 -11.066 1.00 1.00 O ATOM 1101 CB PRO B 711 69.065 6.561 -10.489 1.00 1.00 C ATOM 1102 CG PRO B 711 69.195 5.153 -10.023 1.00 1.00 C ATOM 1103 CD PRO B 711 70.551 5.039 -9.322 1.00 1.00 C ATOM 0 HA PRO B 711 70.805 7.049 -11.754 1.00 1.00 H new ATOM 0 HB2 PRO B 711 68.546 7.171 -9.750 1.00 1.00 H new ATOM 0 HB3 PRO B 711 68.486 6.615 -11.411 1.00 1.00 H new ATOM 0 HG2 PRO B 711 68.385 4.896 -9.341 1.00 1.00 H new ATOM 0 HG3 PRO B 711 69.136 4.461 -10.863 1.00 1.00 H new ATOM 0 HD2 PRO B 711 70.448 5.119 -8.240 1.00 1.00 H new ATOM 0 HD3 PRO B 711 71.027 4.080 -9.527 1.00 1.00 H new ATOM 1111 N LEU B 712 70.533 8.723 -8.944 1.00 1.00 N ATOM 1112 CA LEU B 712 70.646 10.059 -8.366 1.00 1.00 C ATOM 1113 C LEU B 712 72.041 10.633 -8.608 1.00 1.00 C ATOM 1114 O LEU B 712 72.194 11.812 -8.923 1.00 1.00 O ATOM 1115 CB LEU B 712 70.364 10.002 -6.863 1.00 1.00 C ATOM 1116 CG LEU B 712 68.886 9.674 -6.627 1.00 1.00 C ATOM 1117 CD1 LEU B 712 68.646 9.413 -5.138 1.00 1.00 C ATOM 1118 CD2 LEU B 712 68.001 10.842 -7.089 1.00 1.00 C ATOM 0 H LEU B 712 70.397 7.979 -8.259 1.00 1.00 H new ATOM 0 HA LEU B 712 69.914 10.707 -8.847 1.00 1.00 H new ATOM 0 HB2 LEU B 712 70.994 9.246 -6.393 1.00 1.00 H new ATOM 0 HB3 LEU B 712 70.613 10.957 -6.400 1.00 1.00 H new ATOM 0 HG LEU B 712 68.629 8.784 -7.201 1.00 1.00 H new ATOM 0 HD11 LEU B 712 67.594 9.180 -4.974 1.00 1.00 H new ATOM 0 HD12 LEU B 712 69.259 8.572 -4.813 1.00 1.00 H new ATOM 0 HD13 LEU B 712 68.914 10.301 -4.565 1.00 1.00 H new ATOM 0 HD21 LEU B 712 66.953 10.596 -6.916 1.00 1.00 H new ATOM 0 HD22 LEU B 712 68.260 11.739 -6.527 1.00 1.00 H new ATOM 0 HD23 LEU B 712 68.160 11.021 -8.152 1.00 1.00 H new ATOM 1130 N LEU B 713 73.056 9.790 -8.445 1.00 1.00 N ATOM 1131 CA LEU B 713 74.436 10.229 -8.635 1.00 1.00 C ATOM 1132 C LEU B 713 74.677 10.679 -10.067 1.00 1.00 C ATOM 1133 O LEU B 713 75.339 11.691 -10.295 1.00 1.00 O ATOM 1134 CB LEU B 713 75.405 9.099 -8.290 1.00 1.00 C ATOM 1135 CG LEU B 713 75.552 9.005 -6.766 1.00 1.00 C ATOM 1136 CD1 LEU B 713 76.260 7.698 -6.401 1.00 1.00 C ATOM 1137 CD2 LEU B 713 76.375 10.191 -6.237 1.00 1.00 C ATOM 0 H LEU B 713 72.952 8.809 -8.185 1.00 1.00 H new ATOM 0 HA LEU B 713 74.609 11.074 -7.969 1.00 1.00 H new ATOM 0 HB2 LEU B 713 75.037 8.154 -8.690 1.00 1.00 H new ATOM 0 HB3 LEU B 713 76.376 9.284 -8.750 1.00 1.00 H new ATOM 0 HG LEU B 713 74.560 9.028 -6.314 1.00 1.00 H new ATOM 0 HD11 LEU B 713 76.365 7.631 -5.318 1.00 1.00 H new ATOM 0 HD12 LEU B 713 75.673 6.853 -6.762 1.00 1.00 H new ATOM 0 HD13 LEU B 713 77.247 7.678 -6.863 1.00 1.00 H new ATOM 0 HD21 LEU B 713 76.472 10.112 -5.154 1.00 1.00 H new ATOM 0 HD22 LEU B 713 77.365 10.178 -6.692 1.00 1.00 H new ATOM 0 HD23 LEU B 713 75.872 11.124 -6.489 1.00 1.00 H new ATOM 1149 N ILE B 714 74.135 9.944 -11.026 1.00 1.00 N ATOM 1150 CA ILE B 714 74.310 10.311 -12.423 1.00 1.00 C ATOM 1151 C ILE B 714 73.648 11.658 -12.679 1.00 1.00 C ATOM 1152 O ILE B 714 74.223 12.521 -13.333 1.00 1.00 O ATOM 1153 CB ILE B 714 73.682 9.252 -13.331 1.00 1.00 C ATOM 1154 CG1 ILE B 714 74.466 7.933 -13.223 1.00 1.00 C ATOM 1155 CG2 ILE B 714 73.665 9.734 -14.786 1.00 1.00 C ATOM 1156 CD1 ILE B 714 75.932 8.109 -13.656 1.00 1.00 C ATOM 0 H ILE B 714 73.579 9.104 -10.867 1.00 1.00 H new ATOM 0 HA ILE B 714 75.376 10.377 -12.642 1.00 1.00 H new ATOM 0 HB ILE B 714 72.655 9.083 -13.008 1.00 1.00 H new ATOM 0 HG12 ILE B 714 74.430 7.571 -12.196 1.00 1.00 H new ATOM 0 HG13 ILE B 714 73.991 7.174 -13.845 1.00 1.00 H new ATOM 0 HG21 ILE B 714 73.215 8.968 -15.418 1.00 1.00 H new ATOM 0 HG22 ILE B 714 73.082 10.652 -14.858 1.00 1.00 H new ATOM 0 HG23 ILE B 714 74.686 9.925 -15.118 1.00 1.00 H new ATOM 0 HD11 ILE B 714 76.455 7.157 -13.566 1.00 1.00 H new ATOM 0 HD12 ILE B 714 75.967 8.446 -14.692 1.00 1.00 H new ATOM 0 HD13 ILE B 714 76.414 8.849 -13.017 1.00 1.00 H new ATOM 1168 N TRP B 715 72.439 11.830 -12.145 1.00 1.00 N ATOM 1169 CA TRP B 715 71.698 13.076 -12.301 1.00 1.00 C ATOM 1170 C TRP B 715 72.473 14.222 -11.650 1.00 1.00 C ATOM 1171 O TRP B 715 72.654 15.285 -12.246 1.00 1.00 O ATOM 1172 CB TRP B 715 70.313 12.887 -11.651 1.00 1.00 C ATOM 1173 CG TRP B 715 69.543 14.171 -11.556 1.00 1.00 C ATOM 1174 CD1 TRP B 715 69.736 15.281 -12.308 1.00 1.00 C ATOM 1175 CD2 TRP B 715 68.421 14.467 -10.674 1.00 1.00 C ATOM 1176 NE1 TRP B 715 68.821 16.247 -11.918 1.00 1.00 N ATOM 1177 CE2 TRP B 715 67.984 15.787 -10.921 1.00 1.00 C ATOM 1178 CE3 TRP B 715 67.752 13.722 -9.686 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 66.918 16.351 -10.214 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 66.680 14.283 -8.973 1.00 1.00 C ATOM 1181 CH2 TRP B 715 66.263 15.594 -9.238 1.00 1.00 C ATOM 0 H TRP B 715 71.953 11.118 -11.599 1.00 1.00 H new ATOM 0 HA TRP B 715 71.569 13.327 -13.354 1.00 1.00 H new ATOM 0 HB2 TRP B 715 69.739 12.165 -12.231 1.00 1.00 H new ATOM 0 HB3 TRP B 715 70.438 12.467 -10.653 1.00 1.00 H new ATOM 0 HD1 TRP B 715 70.479 15.395 -13.083 1.00 1.00 H new ATOM 0 HE1 TRP B 715 68.772 17.184 -12.319 1.00 1.00 H new ATOM 0 HE3 TRP B 715 68.065 12.710 -9.474 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 66.603 17.363 -10.420 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 66.175 13.701 -8.217 1.00 1.00 H new ATOM 0 HH2 TRP B 715 65.436 16.020 -8.689 1.00 1.00 H new ATOM 1192 N LYS B 716 72.918 14.000 -10.416 1.00 1.00 N ATOM 1193 CA LYS B 716 73.650 15.025 -9.675 1.00 1.00 C ATOM 1194 C LYS B 716 74.940 15.424 -10.393 1.00 1.00 C ATOM 1195 O LYS B 716 75.256 16.611 -10.489 1.00 1.00 O ATOM 1196 CB LYS B 716 74.001 14.501 -8.273 1.00 1.00 C ATOM 1197 CG LYS B 716 74.318 15.671 -7.319 1.00 1.00 C ATOM 1198 CD LYS B 716 73.072 16.111 -6.517 1.00 1.00 C ATOM 1199 CE LYS B 716 72.113 16.947 -7.376 1.00 1.00 C ATOM 1200 NZ LYS B 716 71.248 17.765 -6.480 1.00 1.00 N ATOM 0 H LYS B 716 72.786 13.124 -9.910 1.00 1.00 H new ATOM 0 HA LYS B 716 73.008 15.903 -9.602 1.00 1.00 H new ATOM 0 HB2 LYS B 716 73.169 13.918 -7.878 1.00 1.00 H new ATOM 0 HB3 LYS B 716 74.859 13.831 -8.334 1.00 1.00 H new ATOM 0 HG2 LYS B 716 75.108 15.374 -6.629 1.00 1.00 H new ATOM 0 HG3 LYS B 716 74.698 16.516 -7.894 1.00 1.00 H new ATOM 0 HD2 LYS B 716 72.551 15.230 -6.141 1.00 1.00 H new ATOM 0 HD3 LYS B 716 73.384 16.692 -5.649 1.00 1.00 H new ATOM 0 HE2 LYS B 716 72.676 17.594 -8.049 1.00 1.00 H new ATOM 0 HE3 LYS B 716 71.500 16.295 -7.999 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 71.165 18.728 -6.863 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 70.304 17.333 -6.420 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 71.671 17.805 -5.531 1.00 1.00 H new ATOM 1214 N LEU B 717 75.688 14.447 -10.895 1.00 1.00 N ATOM 1215 CA LEU B 717 76.938 14.746 -11.592 1.00 1.00 C ATOM 1216 C LEU B 717 76.669 15.571 -12.848 1.00 1.00 C ATOM 1217 O LEU B 717 77.396 16.519 -13.145 1.00 1.00 O ATOM 1218 CB LEU B 717 77.662 13.448 -11.963 1.00 1.00 C ATOM 1219 CG LEU B 717 78.207 12.770 -10.695 1.00 1.00 C ATOM 1220 CD1 LEU B 717 78.712 11.368 -11.043 1.00 1.00 C ATOM 1221 CD2 LEU B 717 79.372 13.587 -10.115 1.00 1.00 C ATOM 0 H LEU B 717 75.457 13.455 -10.835 1.00 1.00 H new ATOM 0 HA LEU B 717 77.573 15.327 -10.923 1.00 1.00 H new ATOM 0 HB2 LEU B 717 76.978 12.775 -12.480 1.00 1.00 H new ATOM 0 HB3 LEU B 717 78.480 13.662 -12.651 1.00 1.00 H new ATOM 0 HG LEU B 717 77.406 12.708 -9.958 1.00 1.00 H new ATOM 0 HD11 LEU B 717 79.098 10.887 -10.144 1.00 1.00 H new ATOM 0 HD12 LEU B 717 77.891 10.776 -11.447 1.00 1.00 H new ATOM 0 HD13 LEU B 717 79.507 11.441 -11.786 1.00 1.00 H new ATOM 0 HD21 LEU B 717 79.749 13.097 -9.218 1.00 1.00 H new ATOM 0 HD22 LEU B 717 80.171 13.656 -10.853 1.00 1.00 H new ATOM 0 HD23 LEU B 717 79.024 14.588 -9.862 1.00 1.00 H new ATOM 1233 N LEU B 718 75.633 15.197 -13.588 1.00 1.00 N ATOM 1234 CA LEU B 718 75.301 15.903 -14.818 1.00 1.00 C ATOM 1235 C LEU B 718 74.954 17.357 -14.522 1.00 1.00 C ATOM 1236 O LEU B 718 75.377 18.256 -15.247 1.00 1.00 O ATOM 1237 CB LEU B 718 74.132 15.212 -15.520 1.00 1.00 C ATOM 1238 CG LEU B 718 74.599 13.866 -16.088 1.00 1.00 C ATOM 1239 CD1 LEU B 718 73.389 13.051 -16.544 1.00 1.00 C ATOM 1240 CD2 LEU B 718 75.543 14.085 -17.280 1.00 1.00 C ATOM 0 H LEU B 718 75.015 14.418 -13.361 1.00 1.00 H new ATOM 0 HA LEU B 718 76.170 15.883 -15.476 1.00 1.00 H new ATOM 0 HB2 LEU B 718 73.312 15.058 -14.818 1.00 1.00 H new ATOM 0 HB3 LEU B 718 73.750 15.844 -16.322 1.00 1.00 H new ATOM 0 HG LEU B 718 75.134 13.326 -15.307 1.00 1.00 H new ATOM 0 HD11 LEU B 718 73.725 12.095 -16.947 1.00 1.00 H new ATOM 0 HD12 LEU B 718 72.728 12.875 -15.695 1.00 1.00 H new ATOM 0 HD13 LEU B 718 72.850 13.601 -17.316 1.00 1.00 H new ATOM 0 HD21 LEU B 718 75.865 13.120 -17.671 1.00 1.00 H new ATOM 0 HD22 LEU B 718 75.021 14.637 -18.061 1.00 1.00 H new ATOM 0 HD23 LEU B 718 76.414 14.654 -16.955 1.00 1.00 H new ATOM 1252 N ILE B 719 74.194 17.595 -13.461 1.00 1.00 N ATOM 1253 CA ILE B 719 73.842 18.964 -13.107 1.00 1.00 C ATOM 1254 C ILE B 719 75.097 19.748 -12.738 1.00 1.00 C ATOM 1255 O ILE B 719 75.276 20.892 -13.156 1.00 1.00 O ATOM 1256 CB ILE B 719 72.872 18.983 -11.920 1.00 1.00 C ATOM 1257 CG1 ILE B 719 71.514 18.405 -12.334 1.00 1.00 C ATOM 1258 CG2 ILE B 719 72.689 20.429 -11.459 1.00 1.00 C ATOM 1259 CD1 ILE B 719 70.660 18.174 -11.083 1.00 1.00 C ATOM 0 H ILE B 719 73.817 16.877 -12.843 1.00 1.00 H new ATOM 0 HA ILE B 719 73.360 19.425 -13.970 1.00 1.00 H new ATOM 0 HB ILE B 719 73.278 18.377 -11.111 1.00 1.00 H new ATOM 0 HG12 ILE B 719 71.006 19.089 -13.014 1.00 1.00 H new ATOM 0 HG13 ILE B 719 71.654 17.467 -12.872 1.00 1.00 H new ATOM 0 HG21 ILE B 719 72.001 20.457 -10.614 1.00 1.00 H new ATOM 0 HG22 ILE B 719 73.652 20.839 -11.156 1.00 1.00 H new ATOM 0 HG23 ILE B 719 72.283 21.023 -12.278 1.00 1.00 H new ATOM 0 HD11 ILE B 719 69.693 17.763 -11.373 1.00 1.00 H new ATOM 0 HD12 ILE B 719 71.168 17.474 -10.420 1.00 1.00 H new ATOM 0 HD13 ILE B 719 70.511 19.121 -10.564 1.00 1.00 H new ATOM 1271 N THR B 720 75.964 19.132 -11.938 1.00 1.00 N ATOM 1272 CA THR B 720 77.182 19.806 -11.503 1.00 1.00 C ATOM 1273 C THR B 720 78.034 20.202 -12.696 1.00 1.00 C ATOM 1274 O THR B 720 78.520 21.332 -12.751 1.00 1.00 O ATOM 1275 CB THR B 720 77.995 18.887 -10.595 1.00 1.00 C ATOM 1276 OG1 THR B 720 77.238 18.572 -9.434 1.00 1.00 O ATOM 1277 CG2 THR B 720 79.297 19.590 -10.187 1.00 1.00 C ATOM 0 H THR B 720 75.848 18.183 -11.583 1.00 1.00 H new ATOM 0 HA THR B 720 76.893 20.704 -10.957 1.00 1.00 H new ATOM 0 HB THR B 720 78.233 17.968 -11.130 1.00 1.00 H new ATOM 0 HG1 THR B 720 76.540 17.923 -9.664 1.00 1.00 H new ATOM 0 HG21 THR B 720 79.877 18.933 -9.539 1.00 1.00 H new ATOM 0 HG22 THR B 720 79.878 19.826 -11.079 1.00 1.00 H new ATOM 0 HG23 THR B 720 79.062 20.511 -9.654 1.00 1.00 H new ATOM 1285 N ILE B 721 78.228 19.286 -13.639 1.00 1.00 N ATOM 1286 CA ILE B 721 79.045 19.580 -14.812 1.00 1.00 C ATOM 1287 C ILE B 721 78.426 20.702 -15.629 1.00 1.00 C ATOM 1288 O ILE B 721 79.118 21.618 -16.084 1.00 1.00 O ATOM 1289 CB ILE B 721 79.160 18.325 -15.690 1.00 1.00 C ATOM 1290 CG1 ILE B 721 80.010 17.265 -14.981 1.00 1.00 C ATOM 1291 CG2 ILE B 721 79.814 18.693 -17.020 1.00 1.00 C ATOM 1292 CD1 ILE B 721 81.508 17.505 -15.237 1.00 1.00 C ATOM 0 H ILE B 721 77.836 18.345 -13.616 1.00 1.00 H new ATOM 0 HA ILE B 721 80.034 19.890 -14.474 1.00 1.00 H new ATOM 0 HB ILE B 721 78.163 17.923 -15.869 1.00 1.00 H new ATOM 0 HG12 ILE B 721 79.811 17.290 -13.910 1.00 1.00 H new ATOM 0 HG13 ILE B 721 79.731 16.272 -15.334 1.00 1.00 H new ATOM 0 HG21 ILE B 721 79.896 17.803 -17.644 1.00 1.00 H new ATOM 0 HG22 ILE B 721 79.205 19.439 -17.531 1.00 1.00 H new ATOM 0 HG23 ILE B 721 80.808 19.100 -16.836 1.00 1.00 H new ATOM 0 HD11 ILE B 721 82.092 16.741 -14.724 1.00 1.00 H new ATOM 0 HD12 ILE B 721 81.707 17.456 -16.308 1.00 1.00 H new ATOM 0 HD13 ILE B 721 81.788 18.489 -14.861 1.00 1.00 H new ATOM 1304 N HIS B 722 77.117 20.630 -15.807 1.00 1.00 N ATOM 1305 CA HIS B 722 76.426 21.649 -16.567 1.00 1.00 C ATOM 1306 C HIS B 722 76.569 23.010 -15.869 1.00 1.00 C ATOM 1307 O HIS B 722 76.747 24.048 -16.514 1.00 1.00 O ATOM 1308 CB HIS B 722 74.946 21.296 -16.687 1.00 1.00 C ATOM 1309 CG HIS B 722 74.710 20.516 -17.953 1.00 1.00 C ATOM 1310 ND1 HIS B 722 74.920 19.150 -18.018 1.00 1.00 N ATOM 1311 CD2 HIS B 722 74.264 20.885 -19.197 1.00 1.00 C ATOM 1312 CE1 HIS B 722 74.611 18.749 -19.265 1.00 1.00 C ATOM 1313 NE2 HIS B 722 74.203 19.768 -20.027 1.00 1.00 N ATOM 0 H HIS B 722 76.522 19.887 -15.440 1.00 1.00 H new ATOM 0 HA HIS B 722 76.867 21.704 -17.562 1.00 1.00 H new ATOM 0 HB2 HIS B 722 74.631 20.710 -15.824 1.00 1.00 H new ATOM 0 HB3 HIS B 722 74.345 22.205 -16.691 1.00 1.00 H new ATOM 0 HD1 HIS B 722 75.249 18.555 -17.258 1.00 1.00 H new ATOM 0 HD2 HIS B 722 74.000 21.891 -19.489 1.00 1.00 H new ATOM 0 HE1 HIS B 722 74.684 17.728 -19.608 1.00 1.00 H new