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 72:sc= 0.255 USER MOD Single : A 987 MET CE :methyl -116:sc= -3.99! (180deg=-7.74!) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 699 SER OG : rot -15:sc= 0.0199 USER MOD Single : B 701 MET CE :methyl 157:sc= -0.0553 (180deg=-0.736) USER MOD Single : B 716 LYS NZ :NH3+ -141:sc= 1.24 (180deg=0.26) USER MOD Single : B 720 THR OG1 : rot 93:sc= 1.16 USER MOD Single : B 722 HIS : no HE2:sc= 0.91 K(o=0.91,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 64.506 -16.548 4.037 1.00 1.00 N ATOM 137 CA ILE A 966 63.801 -15.517 3.277 1.00 1.00 C ATOM 138 C ILE A 966 63.516 -14.238 4.078 1.00 1.00 C ATOM 139 O ILE A 966 63.622 -13.135 3.544 1.00 1.00 O ATOM 140 CB ILE A 966 62.479 -16.087 2.760 1.00 1.00 C ATOM 141 CG1 ILE A 966 62.767 -17.159 1.704 1.00 1.00 C ATOM 142 CG2 ILE A 966 61.647 -14.965 2.134 1.00 1.00 C ATOM 143 CD1 ILE A 966 61.483 -17.929 1.390 1.00 1.00 C ATOM 0 HA ILE A 966 64.462 -15.232 2.458 1.00 1.00 H new ATOM 0 HB ILE A 966 61.925 -16.529 3.588 1.00 1.00 H new ATOM 0 HG12 ILE A 966 63.156 -16.695 0.797 1.00 1.00 H new ATOM 0 HG13 ILE A 966 63.534 -17.844 2.066 1.00 1.00 H new ATOM 0 HG21 ILE A 966 60.705 -15.372 1.766 1.00 1.00 H new ATOM 0 HG22 ILE A 966 61.443 -14.201 2.884 1.00 1.00 H new ATOM 0 HG23 ILE A 966 62.199 -14.522 1.305 1.00 1.00 H new ATOM 0 HD11 ILE A 966 61.690 -18.691 0.639 1.00 1.00 H new ATOM 0 HD12 ILE A 966 61.113 -18.406 2.298 1.00 1.00 H new ATOM 0 HD13 ILE A 966 60.729 -17.240 1.009 1.00 1.00 H new ATOM 155 N TRP A 967 63.089 -14.385 5.330 1.00 1.00 N ATOM 156 CA TRP A 967 62.725 -13.214 6.132 1.00 1.00 C ATOM 157 C TRP A 967 63.835 -12.164 6.131 1.00 1.00 C ATOM 158 O TRP A 967 63.580 -10.984 5.893 1.00 1.00 O ATOM 159 CB TRP A 967 62.467 -13.619 7.586 1.00 1.00 C ATOM 160 CG TRP A 967 62.713 -15.080 7.765 1.00 1.00 C ATOM 161 CD1 TRP A 967 63.763 -15.598 8.439 1.00 1.00 C ATOM 162 CD2 TRP A 967 61.933 -16.214 7.286 1.00 1.00 C ATOM 163 NE1 TRP A 967 63.683 -16.975 8.408 1.00 1.00 N ATOM 164 CE2 TRP A 967 62.571 -17.405 7.709 1.00 1.00 C ATOM 165 CE3 TRP A 967 60.749 -16.324 6.535 1.00 1.00 C ATOM 166 CZ2 TRP A 967 62.050 -18.662 7.397 1.00 1.00 C ATOM 167 CZ3 TRP A 967 60.223 -17.588 6.221 1.00 1.00 C ATOM 168 CH2 TRP A 967 60.873 -18.754 6.650 1.00 1.00 C ATOM 0 H TRP A 967 62.987 -15.282 5.805 1.00 1.00 H new ATOM 0 HA TRP A 967 61.825 -12.794 5.684 1.00 1.00 H new ATOM 0 HB2 TRP A 967 63.116 -13.049 8.251 1.00 1.00 H new ATOM 0 HB3 TRP A 967 61.440 -13.379 7.861 1.00 1.00 H new ATOM 0 HD1 TRP A 967 64.540 -15.026 8.924 1.00 1.00 H new ATOM 0 HE1 TRP A 967 64.361 -17.598 8.847 1.00 1.00 H new ATOM 0 HE3 TRP A 967 60.242 -15.432 6.198 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 62.553 -19.557 7.731 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 59.312 -17.662 5.645 1.00 1.00 H new ATOM 0 HH2 TRP A 967 60.464 -19.723 6.403 1.00 1.00 H new ATOM 179 N TRP A 968 65.051 -12.579 6.460 1.00 1.00 N ATOM 180 CA TRP A 968 66.168 -11.638 6.554 1.00 1.00 C ATOM 181 C TRP A 968 66.383 -10.893 5.242 1.00 1.00 C ATOM 182 O TRP A 968 66.673 -9.697 5.258 1.00 1.00 O ATOM 183 CB TRP A 968 67.449 -12.372 6.941 1.00 1.00 C ATOM 184 CG TRP A 968 67.256 -13.018 8.272 1.00 1.00 C ATOM 185 CD1 TRP A 968 67.221 -14.349 8.472 1.00 1.00 C ATOM 186 CD2 TRP A 968 67.040 -12.401 9.576 1.00 1.00 C ATOM 187 NE1 TRP A 968 67.007 -14.600 9.815 1.00 1.00 N ATOM 188 CE2 TRP A 968 66.888 -13.428 10.538 1.00 1.00 C ATOM 189 CE3 TRP A 968 66.967 -11.067 10.013 1.00 1.00 C ATOM 190 CZ2 TRP A 968 66.669 -13.140 11.887 1.00 1.00 C ATOM 191 CZ3 TRP A 968 66.746 -10.773 11.369 1.00 1.00 C ATOM 192 CH2 TRP A 968 66.598 -11.808 12.304 1.00 1.00 C ATOM 0 H TRP A 968 65.292 -13.549 6.665 1.00 1.00 H new ATOM 0 HA TRP A 968 65.919 -10.909 7.325 1.00 1.00 H new ATOM 0 HB2 TRP A 968 67.694 -13.123 6.190 1.00 1.00 H new ATOM 0 HB3 TRP A 968 68.286 -11.674 6.979 1.00 1.00 H new ATOM 0 HD1 TRP A 968 67.341 -15.101 7.706 1.00 1.00 H new ATOM 0 HE1 TRP A 968 66.945 -15.534 10.221 1.00 1.00 H new ATOM 0 HE3 TRP A 968 67.082 -10.263 9.302 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 66.555 -13.941 12.603 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 66.690 -9.744 11.693 1.00 1.00 H new ATOM 0 HH2 TRP A 968 66.429 -11.576 13.345 1.00 1.00 H new ATOM 203 N VAL A 969 66.217 -11.565 4.109 1.00 1.00 N ATOM 204 CA VAL A 969 66.375 -10.886 2.827 1.00 1.00 C ATOM 205 C VAL A 969 65.298 -9.816 2.707 1.00 1.00 C ATOM 206 O VAL A 969 65.558 -8.682 2.303 1.00 1.00 O ATOM 207 CB VAL A 969 66.249 -11.887 1.678 1.00 1.00 C ATOM 208 CG1 VAL A 969 66.216 -11.134 0.347 1.00 1.00 C ATOM 209 CG2 VAL A 969 67.448 -12.837 1.695 1.00 1.00 C ATOM 0 H VAL A 969 65.979 -12.555 4.049 1.00 1.00 H new ATOM 0 HA VAL A 969 67.362 -10.427 2.774 1.00 1.00 H new ATOM 0 HB VAL A 969 65.329 -12.460 1.795 1.00 1.00 H new ATOM 0 HG11 VAL A 969 66.126 -11.847 -0.472 1.00 1.00 H new ATOM 0 HG12 VAL A 969 65.362 -10.456 0.333 1.00 1.00 H new ATOM 0 HG13 VAL A 969 67.136 -10.561 0.230 1.00 1.00 H new ATOM 0 HG21 VAL A 969 67.358 -13.551 0.876 1.00 1.00 H new ATOM 0 HG22 VAL A 969 68.368 -12.264 1.578 1.00 1.00 H new ATOM 0 HG23 VAL A 969 67.473 -13.374 2.643 1.00 1.00 H new ATOM 219 N LEU A 970 64.084 -10.208 3.072 1.00 1.00 N ATOM 220 CA LEU A 970 62.945 -9.301 3.019 1.00 1.00 C ATOM 221 C LEU A 970 63.166 -8.122 3.961 1.00 1.00 C ATOM 222 O LEU A 970 62.865 -6.978 3.619 1.00 1.00 O ATOM 223 CB LEU A 970 61.662 -10.039 3.414 1.00 1.00 C ATOM 224 CG LEU A 970 61.289 -11.054 2.327 1.00 1.00 C ATOM 225 CD1 LEU A 970 60.134 -11.926 2.820 1.00 1.00 C ATOM 226 CD2 LEU A 970 60.866 -10.328 1.041 1.00 1.00 C ATOM 0 H LEU A 970 63.863 -11.146 3.407 1.00 1.00 H new ATOM 0 HA LEU A 970 62.845 -8.930 1.999 1.00 1.00 H new ATOM 0 HB2 LEU A 970 61.804 -10.549 4.367 1.00 1.00 H new ATOM 0 HB3 LEU A 970 60.849 -9.326 3.552 1.00 1.00 H new ATOM 0 HG LEU A 970 62.158 -11.676 2.113 1.00 1.00 H new ATOM 0 HD11 LEU A 970 59.868 -12.648 2.048 1.00 1.00 H new ATOM 0 HD12 LEU A 970 60.438 -12.456 3.723 1.00 1.00 H new ATOM 0 HD13 LEU A 970 59.272 -11.297 3.041 1.00 1.00 H new ATOM 0 HD21 LEU A 970 60.604 -11.061 0.278 1.00 1.00 H new ATOM 0 HD22 LEU A 970 60.003 -9.695 1.248 1.00 1.00 H new ATOM 0 HD23 LEU A 970 61.691 -9.711 0.683 1.00 1.00 H new ATOM 238 N VAL A 971 63.690 -8.404 5.150 1.00 1.00 N ATOM 239 CA VAL A 971 63.944 -7.363 6.140 1.00 1.00 C ATOM 240 C VAL A 971 64.980 -6.363 5.633 1.00 1.00 C ATOM 241 O VAL A 971 64.813 -5.152 5.783 1.00 1.00 O ATOM 242 CB VAL A 971 64.438 -7.994 7.442 1.00 1.00 C ATOM 243 CG1 VAL A 971 64.892 -6.896 8.403 1.00 1.00 C ATOM 244 CG2 VAL A 971 63.301 -8.791 8.084 1.00 1.00 C ATOM 0 H VAL A 971 63.947 -9.344 5.451 1.00 1.00 H new ATOM 0 HA VAL A 971 63.010 -6.831 6.320 1.00 1.00 H new ATOM 0 HB VAL A 971 65.275 -8.658 7.228 1.00 1.00 H new ATOM 0 HG11 VAL A 971 65.244 -7.347 9.331 1.00 1.00 H new ATOM 0 HG12 VAL A 971 65.701 -6.325 7.947 1.00 1.00 H new ATOM 0 HG13 VAL A 971 64.055 -6.231 8.617 1.00 1.00 H new ATOM 0 HG21 VAL A 971 63.652 -9.242 9.013 1.00 1.00 H new ATOM 0 HG22 VAL A 971 62.465 -8.125 8.297 1.00 1.00 H new ATOM 0 HG23 VAL A 971 62.975 -9.575 7.401 1.00 1.00 H new ATOM 254 N GLY A 972 66.062 -6.876 5.051 1.00 1.00 N ATOM 255 CA GLY A 972 67.121 -6.008 4.548 1.00 1.00 C ATOM 256 C GLY A 972 66.597 -5.080 3.460 1.00 1.00 C ATOM 257 O GLY A 972 66.981 -3.914 3.387 1.00 1.00 O ATOM 0 H GLY A 972 66.226 -7.874 4.918 1.00 1.00 H new ATOM 0 HA2 GLY A 972 67.532 -5.418 5.367 1.00 1.00 H new ATOM 0 HA3 GLY A 972 67.936 -6.614 4.152 1.00 1.00 H new ATOM 261 N VAL A 973 65.722 -5.607 2.617 1.00 1.00 N ATOM 262 CA VAL A 973 65.154 -4.821 1.532 1.00 1.00 C ATOM 263 C VAL A 973 64.361 -3.643 2.085 1.00 1.00 C ATOM 264 O VAL A 973 64.488 -2.520 1.596 1.00 1.00 O ATOM 265 CB VAL A 973 64.240 -5.697 0.672 1.00 1.00 C ATOM 266 CG1 VAL A 973 63.490 -4.820 -0.332 1.00 1.00 C ATOM 267 CG2 VAL A 973 65.086 -6.724 -0.082 1.00 1.00 C ATOM 0 H VAL A 973 65.391 -6.571 2.662 1.00 1.00 H new ATOM 0 HA VAL A 973 65.970 -4.440 0.918 1.00 1.00 H new ATOM 0 HB VAL A 973 63.523 -6.212 1.311 1.00 1.00 H new ATOM 0 HG11 VAL A 973 62.839 -5.444 -0.945 1.00 1.00 H new ATOM 0 HG12 VAL A 973 62.889 -4.085 0.204 1.00 1.00 H new ATOM 0 HG13 VAL A 973 64.207 -4.305 -0.972 1.00 1.00 H new ATOM 0 HG21 VAL A 973 64.438 -7.350 -0.696 1.00 1.00 H new ATOM 0 HG22 VAL A 973 65.802 -6.207 -0.721 1.00 1.00 H new ATOM 0 HG23 VAL A 973 65.622 -7.349 0.632 1.00 1.00 H new ATOM 277 N LEU A 974 63.540 -3.894 3.101 1.00 1.00 N ATOM 278 CA LEU A 974 62.736 -2.832 3.696 1.00 1.00 C ATOM 279 C LEU A 974 63.614 -1.752 4.332 1.00 1.00 C ATOM 280 O LEU A 974 63.342 -0.558 4.195 1.00 1.00 O ATOM 281 CB LEU A 974 61.805 -3.419 4.759 1.00 1.00 C ATOM 282 CG LEU A 974 60.728 -4.278 4.085 1.00 1.00 C ATOM 283 CD1 LEU A 974 59.946 -5.042 5.154 1.00 1.00 C ATOM 284 CD2 LEU A 974 59.763 -3.394 3.281 1.00 1.00 C ATOM 0 H LEU A 974 63.415 -4.813 3.525 1.00 1.00 H new ATOM 0 HA LEU A 974 62.151 -2.372 2.900 1.00 1.00 H new ATOM 0 HB2 LEU A 974 62.377 -4.023 5.464 1.00 1.00 H new ATOM 0 HB3 LEU A 974 61.339 -2.617 5.331 1.00 1.00 H new ATOM 0 HG LEU A 974 61.211 -4.980 3.406 1.00 1.00 H new ATOM 0 HD11 LEU A 974 59.180 -5.653 4.677 1.00 1.00 H new ATOM 0 HD12 LEU A 974 60.626 -5.684 5.713 1.00 1.00 H new ATOM 0 HD13 LEU A 974 59.473 -4.334 5.835 1.00 1.00 H new ATOM 0 HD21 LEU A 974 59.005 -4.019 2.809 1.00 1.00 H new ATOM 0 HD22 LEU A 974 59.281 -2.681 3.949 1.00 1.00 H new ATOM 0 HD23 LEU A 974 60.318 -2.854 2.513 1.00 1.00 H new ATOM 296 N GLY A 975 64.663 -2.180 5.032 1.00 1.00 N ATOM 297 CA GLY A 975 65.563 -1.231 5.689 1.00 1.00 C ATOM 298 C GLY A 975 66.307 -0.375 4.669 1.00 1.00 C ATOM 299 O GLY A 975 66.404 0.840 4.824 1.00 1.00 O ATOM 0 H GLY A 975 64.909 -3.162 5.159 1.00 1.00 H new ATOM 0 HA2 GLY A 975 64.991 -0.588 6.358 1.00 1.00 H new ATOM 0 HA3 GLY A 975 66.281 -1.774 6.304 1.00 1.00 H new ATOM 303 N GLY A 976 66.809 -1.009 3.618 1.00 1.00 N ATOM 304 CA GLY A 976 67.525 -0.281 2.576 1.00 1.00 C ATOM 305 C GLY A 976 66.608 0.755 1.919 1.00 1.00 C ATOM 306 O GLY A 976 67.021 1.886 1.660 1.00 1.00 O ATOM 0 H GLY A 976 66.736 -2.015 3.464 1.00 1.00 H new ATOM 0 HA2 GLY A 976 68.396 0.215 3.004 1.00 1.00 H new ATOM 0 HA3 GLY A 976 67.893 -0.979 1.824 1.00 1.00 H new ATOM 310 N LEU A 977 65.364 0.368 1.664 1.00 1.00 N ATOM 311 CA LEU A 977 64.396 1.284 1.051 1.00 1.00 C ATOM 312 C LEU A 977 64.138 2.483 1.973 1.00 1.00 C ATOM 313 O LEU A 977 64.039 3.620 1.505 1.00 1.00 O ATOM 314 CB LEU A 977 63.081 0.541 0.774 1.00 1.00 C ATOM 315 CG LEU A 977 62.047 1.490 0.151 1.00 1.00 C ATOM 316 CD1 LEU A 977 62.604 2.096 -1.140 1.00 1.00 C ATOM 317 CD2 LEU A 977 60.772 0.708 -0.172 1.00 1.00 C ATOM 0 H LEU A 977 65.000 -0.563 1.868 1.00 1.00 H new ATOM 0 HA LEU A 977 64.805 1.651 0.110 1.00 1.00 H new ATOM 0 HB2 LEU A 977 63.265 -0.297 0.102 1.00 1.00 H new ATOM 0 HB3 LEU A 977 62.689 0.125 1.702 1.00 1.00 H new ATOM 0 HG LEU A 977 61.825 2.289 0.858 1.00 1.00 H new ATOM 0 HD11 LEU A 977 61.864 2.768 -1.575 1.00 1.00 H new ATOM 0 HD12 LEU A 977 63.514 2.653 -0.917 1.00 1.00 H new ATOM 0 HD13 LEU A 977 62.831 1.299 -1.848 1.00 1.00 H new ATOM 0 HD21 LEU A 977 60.036 1.379 -0.614 1.00 1.00 H new ATOM 0 HD22 LEU A 977 61.004 -0.091 -0.876 1.00 1.00 H new ATOM 0 HD23 LEU A 977 60.367 0.278 0.744 1.00 1.00 H new ATOM 329 N LEU A 978 64.021 2.230 3.269 1.00 1.00 N ATOM 330 CA LEU A 978 63.764 3.314 4.222 1.00 1.00 C ATOM 331 C LEU A 978 64.919 4.319 4.205 1.00 1.00 C ATOM 332 O LEU A 978 64.692 5.530 4.225 1.00 1.00 O ATOM 333 CB LEU A 978 63.594 2.734 5.633 1.00 1.00 C ATOM 334 CG LEU A 978 63.349 3.856 6.651 1.00 1.00 C ATOM 335 CD1 LEU A 978 62.115 4.669 6.250 1.00 1.00 C ATOM 336 CD2 LEU A 978 63.115 3.240 8.033 1.00 1.00 C ATOM 0 H LEU A 978 64.097 1.302 3.685 1.00 1.00 H new ATOM 0 HA LEU A 978 62.848 3.830 3.933 1.00 1.00 H new ATOM 0 HB2 LEU A 978 62.758 2.034 5.646 1.00 1.00 H new ATOM 0 HB3 LEU A 978 64.485 2.171 5.911 1.00 1.00 H new ATOM 0 HG LEU A 978 64.219 4.512 6.676 1.00 1.00 H new ATOM 0 HD11 LEU A 978 61.950 5.463 6.979 1.00 1.00 H new ATOM 0 HD12 LEU A 978 62.273 5.108 5.265 1.00 1.00 H new ATOM 0 HD13 LEU A 978 61.243 4.016 6.221 1.00 1.00 H new ATOM 0 HD21 LEU A 978 62.940 4.033 8.760 1.00 1.00 H new ATOM 0 HD22 LEU A 978 62.246 2.584 7.996 1.00 1.00 H new ATOM 0 HD23 LEU A 978 63.992 2.664 8.328 1.00 1.00 H new ATOM 348 N LEU A 979 66.148 3.824 4.165 1.00 1.00 N ATOM 349 CA LEU A 979 67.286 4.743 4.139 1.00 1.00 C ATOM 350 C LEU A 979 67.233 5.608 2.881 1.00 1.00 C ATOM 351 O LEU A 979 67.495 6.810 2.948 1.00 1.00 O ATOM 352 CB LEU A 979 68.624 3.984 4.184 1.00 1.00 C ATOM 353 CG LEU A 979 69.022 3.644 5.632 1.00 1.00 C ATOM 354 CD1 LEU A 979 68.149 2.519 6.188 1.00 1.00 C ATOM 355 CD2 LEU A 979 70.485 3.199 5.654 1.00 1.00 C ATOM 0 H LEU A 979 66.383 2.831 4.150 1.00 1.00 H new ATOM 0 HA LEU A 979 67.221 5.376 5.024 1.00 1.00 H new ATOM 0 HB2 LEU A 979 68.545 3.067 3.601 1.00 1.00 H new ATOM 0 HB3 LEU A 979 69.404 4.589 3.722 1.00 1.00 H new ATOM 0 HG LEU A 979 68.882 4.531 6.251 1.00 1.00 H new ATOM 0 HD11 LEU A 979 68.450 2.297 7.212 1.00 1.00 H new ATOM 0 HD12 LEU A 979 67.104 2.829 6.176 1.00 1.00 H new ATOM 0 HD13 LEU A 979 68.270 1.627 5.573 1.00 1.00 H new ATOM 0 HD21 LEU A 979 70.776 2.956 6.676 1.00 1.00 H new ATOM 0 HD22 LEU A 979 70.607 2.319 5.023 1.00 1.00 H new ATOM 0 HD23 LEU A 979 71.116 4.005 5.279 1.00 1.00 H new ATOM 367 N LEU A 980 66.892 5.016 1.744 1.00 1.00 N ATOM 368 CA LEU A 980 66.817 5.796 0.508 1.00 1.00 C ATOM 369 C LEU A 980 65.759 6.891 0.609 1.00 1.00 C ATOM 370 O LEU A 980 65.975 8.012 0.148 1.00 1.00 O ATOM 371 CB LEU A 980 66.448 4.916 -0.687 1.00 1.00 C ATOM 372 CG LEU A 980 67.595 3.981 -1.065 1.00 1.00 C ATOM 373 CD1 LEU A 980 67.097 3.038 -2.161 1.00 1.00 C ATOM 374 CD2 LEU A 980 68.792 4.790 -1.581 1.00 1.00 C ATOM 0 H LEU A 980 66.668 4.026 1.647 1.00 1.00 H new ATOM 0 HA LEU A 980 67.805 6.233 0.363 1.00 1.00 H new ATOM 0 HB2 LEU A 980 65.561 4.329 -0.448 1.00 1.00 H new ATOM 0 HB3 LEU A 980 66.193 5.545 -1.540 1.00 1.00 H new ATOM 0 HG LEU A 980 67.916 3.414 -0.191 1.00 1.00 H new ATOM 0 HD11 LEU A 980 67.899 2.359 -2.449 1.00 1.00 H new ATOM 0 HD12 LEU A 980 66.250 2.462 -1.788 1.00 1.00 H new ATOM 0 HD13 LEU A 980 66.786 3.620 -3.028 1.00 1.00 H new ATOM 0 HD21 LEU A 980 69.602 4.111 -1.847 1.00 1.00 H new ATOM 0 HD22 LEU A 980 68.494 5.361 -2.460 1.00 1.00 H new ATOM 0 HD23 LEU A 980 69.132 5.474 -0.803 1.00 1.00 H new ATOM 386 N THR A 981 64.607 6.558 1.184 1.00 1.00 N ATOM 387 CA THR A 981 63.520 7.527 1.295 1.00 1.00 C ATOM 388 C THR A 981 63.925 8.733 2.139 1.00 1.00 C ATOM 389 O THR A 981 63.690 9.876 1.745 1.00 1.00 O ATOM 390 CB THR A 981 62.294 6.858 1.922 1.00 1.00 C ATOM 391 OG1 THR A 981 61.864 5.788 1.092 1.00 1.00 O ATOM 392 CG2 THR A 981 61.170 7.884 2.068 1.00 1.00 C ATOM 0 H THR A 981 64.403 5.638 1.575 1.00 1.00 H new ATOM 0 HA THR A 981 63.283 7.879 0.291 1.00 1.00 H new ATOM 0 HB THR A 981 62.554 6.469 2.906 1.00 1.00 H new ATOM 0 HG1 THR A 981 62.501 5.046 1.158 1.00 1.00 H new ATOM 0 HG21 THR A 981 60.298 7.407 2.514 1.00 1.00 H new ATOM 0 HG22 THR A 981 61.504 8.701 2.708 1.00 1.00 H new ATOM 0 HG23 THR A 981 60.906 8.277 1.086 1.00 1.00 H new ATOM 400 N ILE A 982 64.510 8.483 3.302 1.00 1.00 N ATOM 401 CA ILE A 982 64.906 9.577 4.185 1.00 1.00 C ATOM 402 C ILE A 982 65.972 10.457 3.537 1.00 1.00 C ATOM 403 O ILE A 982 65.896 11.685 3.609 1.00 1.00 O ATOM 404 CB ILE A 982 65.446 9.008 5.499 1.00 1.00 C ATOM 405 CG1 ILE A 982 64.305 8.347 6.279 1.00 1.00 C ATOM 406 CG2 ILE A 982 66.053 10.136 6.336 1.00 1.00 C ATOM 407 CD1 ILE A 982 64.881 7.540 7.446 1.00 1.00 C ATOM 0 H ILE A 982 64.719 7.549 3.654 1.00 1.00 H new ATOM 0 HA ILE A 982 64.026 10.191 4.377 1.00 1.00 H new ATOM 0 HB ILE A 982 66.214 8.266 5.283 1.00 1.00 H new ATOM 0 HG12 ILE A 982 63.619 9.107 6.653 1.00 1.00 H new ATOM 0 HG13 ILE A 982 63.731 7.695 5.621 1.00 1.00 H new ATOM 0 HG21 ILE A 982 66.437 9.729 7.271 1.00 1.00 H new ATOM 0 HG22 ILE A 982 66.867 10.603 5.782 1.00 1.00 H new ATOM 0 HG23 ILE A 982 65.287 10.881 6.552 1.00 1.00 H new ATOM 0 HD11 ILE A 982 64.068 7.070 8.000 1.00 1.00 H new ATOM 0 HD12 ILE A 982 65.550 6.770 7.061 1.00 1.00 H new ATOM 0 HD13 ILE A 982 65.436 8.204 8.109 1.00 1.00 H new ATOM 419 N LEU A 983 66.961 9.834 2.908 1.00 1.00 N ATOM 420 CA LEU A 983 68.032 10.585 2.257 1.00 1.00 C ATOM 421 C LEU A 983 67.473 11.442 1.119 1.00 1.00 C ATOM 422 O LEU A 983 67.861 12.600 0.962 1.00 1.00 O ATOM 423 CB LEU A 983 69.074 9.603 1.706 1.00 1.00 C ATOM 424 CG LEU A 983 70.217 10.359 1.021 1.00 1.00 C ATOM 425 CD1 LEU A 983 70.896 11.298 2.021 1.00 1.00 C ATOM 426 CD2 LEU A 983 71.240 9.351 0.492 1.00 1.00 C ATOM 0 H LEU A 983 67.046 8.820 2.834 1.00 1.00 H new ATOM 0 HA LEU A 983 68.498 11.246 2.988 1.00 1.00 H new ATOM 0 HB2 LEU A 983 69.470 8.991 2.517 1.00 1.00 H new ATOM 0 HB3 LEU A 983 68.602 8.924 0.995 1.00 1.00 H new ATOM 0 HG LEU A 983 69.817 10.948 0.196 1.00 1.00 H new ATOM 0 HD11 LEU A 983 71.707 11.832 1.526 1.00 1.00 H new ATOM 0 HD12 LEU A 983 70.167 12.015 2.399 1.00 1.00 H new ATOM 0 HD13 LEU A 983 71.297 10.717 2.851 1.00 1.00 H new ATOM 0 HD21 LEU A 983 72.056 9.883 0.003 1.00 1.00 H new ATOM 0 HD22 LEU A 983 71.635 8.764 1.321 1.00 1.00 H new ATOM 0 HD23 LEU A 983 70.759 8.687 -0.226 1.00 1.00 H new ATOM 438 N VAL A 984 66.578 10.867 0.323 1.00 1.00 N ATOM 439 CA VAL A 984 65.994 11.590 -0.803 1.00 1.00 C ATOM 440 C VAL A 984 65.200 12.801 -0.327 1.00 1.00 C ATOM 441 O VAL A 984 65.324 13.891 -0.886 1.00 1.00 O ATOM 442 CB VAL A 984 65.076 10.662 -1.596 1.00 1.00 C ATOM 443 CG1 VAL A 984 64.300 11.478 -2.631 1.00 1.00 C ATOM 444 CG2 VAL A 984 65.921 9.605 -2.310 1.00 1.00 C ATOM 0 H VAL A 984 66.243 9.910 0.434 1.00 1.00 H new ATOM 0 HA VAL A 984 66.808 11.938 -1.439 1.00 1.00 H new ATOM 0 HB VAL A 984 64.375 10.174 -0.919 1.00 1.00 H new ATOM 0 HG11 VAL A 984 63.644 10.817 -3.198 1.00 1.00 H new ATOM 0 HG12 VAL A 984 63.702 12.235 -2.124 1.00 1.00 H new ATOM 0 HG13 VAL A 984 65.000 11.964 -3.310 1.00 1.00 H new ATOM 0 HG21 VAL A 984 65.269 8.940 -2.877 1.00 1.00 H new ATOM 0 HG22 VAL A 984 66.619 10.095 -2.989 1.00 1.00 H new ATOM 0 HG23 VAL A 984 66.477 9.026 -1.573 1.00 1.00 H new ATOM 454 N LEU A 985 64.384 12.608 0.700 1.00 1.00 N ATOM 455 CA LEU A 985 63.580 13.705 1.227 1.00 1.00 C ATOM 456 C LEU A 985 64.473 14.805 1.798 1.00 1.00 C ATOM 457 O LEU A 985 64.208 15.990 1.594 1.00 1.00 O ATOM 458 CB LEU A 985 62.638 13.190 2.318 1.00 1.00 C ATOM 459 CG LEU A 985 61.558 12.295 1.695 1.00 1.00 C ATOM 460 CD1 LEU A 985 60.743 11.634 2.807 1.00 1.00 C ATOM 461 CD2 LEU A 985 60.624 13.129 0.807 1.00 1.00 C ATOM 0 H LEU A 985 64.261 11.716 1.180 1.00 1.00 H new ATOM 0 HA LEU A 985 62.993 14.121 0.408 1.00 1.00 H new ATOM 0 HB2 LEU A 985 63.202 12.629 3.063 1.00 1.00 H new ATOM 0 HB3 LEU A 985 62.173 14.029 2.835 1.00 1.00 H new ATOM 0 HG LEU A 985 62.040 11.531 1.085 1.00 1.00 H new ATOM 0 HD11 LEU A 985 59.975 10.998 2.366 1.00 1.00 H new ATOM 0 HD12 LEU A 985 61.402 11.029 3.430 1.00 1.00 H new ATOM 0 HD13 LEU A 985 60.270 12.403 3.418 1.00 1.00 H new ATOM 0 HD21 LEU A 985 59.863 12.482 0.371 1.00 1.00 H new ATOM 0 HD22 LEU A 985 60.144 13.901 1.408 1.00 1.00 H new ATOM 0 HD23 LEU A 985 61.202 13.597 0.010 1.00 1.00 H new ATOM 473 N ALA A 986 65.516 14.426 2.525 1.00 1.00 N ATOM 474 CA ALA A 986 66.400 15.423 3.122 1.00 1.00 C ATOM 475 C ALA A 986 67.088 16.270 2.049 1.00 1.00 C ATOM 476 O ALA A 986 67.213 17.487 2.189 1.00 1.00 O ATOM 477 CB ALA A 986 67.457 14.725 3.974 1.00 1.00 C ATOM 0 H ALA A 986 65.769 13.456 2.714 1.00 1.00 H new ATOM 0 HA ALA A 986 65.796 16.084 3.744 1.00 1.00 H new ATOM 0 HB1 ALA A 986 68.116 15.470 4.419 1.00 1.00 H new ATOM 0 HB2 ALA A 986 66.969 14.154 4.764 1.00 1.00 H new ATOM 0 HB3 ALA A 986 68.042 14.051 3.348 1.00 1.00 H new ATOM 483 N MET A 987 67.533 15.619 0.980 1.00 1.00 N ATOM 484 CA MET A 987 68.204 16.328 -0.107 1.00 1.00 C ATOM 485 C MET A 987 67.260 17.298 -0.816 1.00 1.00 C ATOM 486 O MET A 987 67.636 18.427 -1.132 1.00 1.00 O ATOM 487 CB MET A 987 68.774 15.326 -1.113 1.00 1.00 C ATOM 488 CG MET A 987 70.032 14.678 -0.528 1.00 1.00 C ATOM 489 SD MET A 987 70.732 13.514 -1.726 1.00 1.00 S ATOM 490 CE MET A 987 72.008 12.816 -0.650 1.00 1.00 C ATOM 0 H MET A 987 67.444 14.612 0.842 1.00 1.00 H new ATOM 0 HA MET A 987 69.016 16.910 0.328 1.00 1.00 H new ATOM 0 HB2 MET A 987 68.031 14.562 -1.343 1.00 1.00 H new ATOM 0 HB3 MET A 987 69.013 15.830 -2.049 1.00 1.00 H new ATOM 0 HG2 MET A 987 70.766 15.445 -0.280 1.00 1.00 H new ATOM 0 HG3 MET A 987 69.788 14.158 0.399 1.00 1.00 H new ATOM 0 HE1 MET A 987 72.993 13.055 -1.051 1.00 1.00 H new ATOM 0 HE2 MET A 987 71.912 13.239 0.350 1.00 1.00 H new ATOM 0 HE3 MET A 987 71.889 11.734 -0.599 1.00 1.00 H new ATOM 500 N TRP A 988 66.031 16.852 -1.056 1.00 1.00 N ATOM 501 CA TRP A 988 65.041 17.697 -1.719 1.00 1.00 C ATOM 502 C TRP A 988 64.732 18.913 -0.851 1.00 1.00 C ATOM 503 O TRP A 988 64.614 20.027 -1.357 1.00 1.00 O ATOM 504 CB TRP A 988 63.760 16.894 -1.969 1.00 1.00 C ATOM 505 CG TRP A 988 62.643 17.812 -2.358 1.00 1.00 C ATOM 506 CD1 TRP A 988 62.779 18.966 -3.052 1.00 1.00 C ATOM 507 CD2 TRP A 988 61.219 17.670 -2.080 1.00 1.00 C ATOM 508 NE1 TRP A 988 61.530 19.536 -3.221 1.00 1.00 N ATOM 509 CE2 TRP A 988 60.537 18.777 -2.637 1.00 1.00 C ATOM 510 CE3 TRP A 988 60.462 16.697 -1.404 1.00 1.00 C ATOM 511 CZ2 TRP A 988 59.153 18.913 -2.529 1.00 1.00 C ATOM 512 CZ3 TRP A 988 59.069 16.830 -1.292 1.00 1.00 C ATOM 513 CH2 TRP A 988 58.415 17.937 -1.854 1.00 1.00 C ATOM 0 H TRP A 988 65.698 15.921 -0.805 1.00 1.00 H new ATOM 0 HA TRP A 988 65.442 18.036 -2.674 1.00 1.00 H new ATOM 0 HB2 TRP A 988 63.930 16.161 -2.758 1.00 1.00 H new ATOM 0 HB3 TRP A 988 63.489 16.339 -1.071 1.00 1.00 H new ATOM 0 HD1 TRP A 988 63.710 19.375 -3.415 1.00 1.00 H new ATOM 0 HE1 TRP A 988 61.363 20.411 -3.717 1.00 1.00 H new ATOM 0 HE3 TRP A 988 60.956 15.841 -0.968 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 58.655 19.767 -2.964 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 58.498 16.076 -0.771 1.00 1.00 H new ATOM 0 HH2 TRP A 988 57.343 18.035 -1.765 1.00 1.00 H new ATOM 524 N LYS A 989 64.584 18.709 0.446 1.00 1.00 N ATOM 525 CA LYS A 989 64.264 19.813 1.343 1.00 1.00 C ATOM 526 C LYS A 989 65.372 20.856 1.350 1.00 1.00 C ATOM 527 O LYS A 989 65.121 22.052 1.492 1.00 1.00 O ATOM 528 CB LYS A 989 64.051 19.280 2.763 1.00 1.00 C ATOM 529 CG LYS A 989 63.587 20.416 3.677 1.00 1.00 C ATOM 530 CD LYS A 989 63.319 19.868 5.080 1.00 1.00 C ATOM 531 CE LYS A 989 62.840 21.004 5.985 1.00 1.00 C ATOM 532 NZ LYS A 989 62.561 20.471 7.349 1.00 1.00 N ATOM 0 H LYS A 989 64.678 17.801 0.901 1.00 1.00 H new ATOM 0 HA LYS A 989 63.350 20.287 0.985 1.00 1.00 H new ATOM 0 HB2 LYS A 989 63.309 18.481 2.754 1.00 1.00 H new ATOM 0 HB3 LYS A 989 64.978 18.850 3.143 1.00 1.00 H new ATOM 0 HG2 LYS A 989 64.347 21.196 3.719 1.00 1.00 H new ATOM 0 HG3 LYS A 989 62.683 20.873 3.275 1.00 1.00 H new ATOM 0 HD2 LYS A 989 62.567 19.080 5.037 1.00 1.00 H new ATOM 0 HD3 LYS A 989 64.226 19.421 5.487 1.00 1.00 H new ATOM 0 HE2 LYS A 989 63.598 21.786 6.037 1.00 1.00 H new ATOM 0 HE3 LYS A 989 61.941 21.459 5.570 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 62.235 21.244 7.964 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 61.824 19.740 7.292 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 63.429 20.057 7.744 1.00 1.00 H new ATOM 546 N VAL A 990 66.601 20.384 1.204 1.00 1.00 N ATOM 547 CA VAL A 990 67.751 21.270 1.203 1.00 1.00 C ATOM 548 C VAL A 990 67.859 21.968 -0.134 1.00 1.00 C ATOM 549 O VAL A 990 68.740 22.802 -0.343 1.00 1.00 O ATOM 550 CB VAL A 990 69.028 20.472 1.478 1.00 1.00 C ATOM 551 CG1 VAL A 990 70.230 21.417 1.527 1.00 1.00 C ATOM 552 CG2 VAL A 990 68.898 19.748 2.820 1.00 1.00 C ATOM 0 H VAL A 990 66.825 19.396 1.085 1.00 1.00 H new ATOM 0 HA VAL A 990 67.625 22.016 1.987 1.00 1.00 H new ATOM 0 HB VAL A 990 69.174 19.744 0.680 1.00 1.00 H new ATOM 0 HG11 VAL A 990 71.136 20.843 1.723 1.00 1.00 H new ATOM 0 HG12 VAL A 990 70.327 21.933 0.572 1.00 1.00 H new ATOM 0 HG13 VAL A 990 70.085 22.149 2.321 1.00 1.00 H new ATOM 0 HG21 VAL A 990 69.807 19.180 3.016 1.00 1.00 H new ATOM 0 HG22 VAL A 990 68.748 20.479 3.615 1.00 1.00 H new ATOM 0 HG23 VAL A 990 68.046 19.069 2.786 1.00 1.00 H new ATOM 562 N GLY A 991 66.958 21.626 -1.044 1.00 1.00 N ATOM 563 CA GLY A 991 66.962 22.226 -2.358 1.00 1.00 C ATOM 564 C GLY A 991 68.142 21.702 -3.134 1.00 1.00 C ATOM 565 O GLY A 991 68.462 22.221 -4.204 1.00 1.00 O ATOM 0 H GLY A 991 66.220 20.938 -0.892 1.00 1.00 H new ATOM 0 HA2 GLY A 991 66.034 21.993 -2.881 1.00 1.00 H new ATOM 0 HA3 GLY A 991 67.018 23.311 -2.276 1.00 1.00 H new ATOM 569 N PHE A 992 68.821 20.697 -2.596 1.00 1.00 N ATOM 570 CA PHE A 992 69.988 20.156 -3.257 1.00 1.00 C ATOM 571 C PHE A 992 69.627 19.712 -4.666 1.00 1.00 C ATOM 572 O PHE A 992 70.346 20.011 -5.620 1.00 1.00 O ATOM 573 CB PHE A 992 70.530 18.971 -2.438 1.00 1.00 C ATOM 574 CG PHE A 992 71.795 18.356 -3.034 1.00 1.00 C ATOM 575 CD1 PHE A 992 72.764 19.124 -3.717 1.00 1.00 C ATOM 576 CD2 PHE A 992 71.996 16.976 -2.886 1.00 1.00 C ATOM 577 CE1 PHE A 992 73.909 18.505 -4.234 1.00 1.00 C ATOM 578 CE2 PHE A 992 73.141 16.365 -3.405 1.00 1.00 C ATOM 579 CZ PHE A 992 74.097 17.128 -4.077 1.00 1.00 C ATOM 0 H PHE A 992 68.582 20.248 -1.712 1.00 1.00 H new ATOM 0 HA PHE A 992 70.760 20.923 -3.327 1.00 1.00 H new ATOM 0 HB2 PHE A 992 70.740 19.306 -1.422 1.00 1.00 H new ATOM 0 HB3 PHE A 992 69.759 18.204 -2.368 1.00 1.00 H new ATOM 0 HD1 PHE A 992 72.622 20.187 -3.840 1.00 1.00 H new ATOM 0 HD2 PHE A 992 71.260 16.380 -2.367 1.00 1.00 H new ATOM 0 HE1 PHE A 992 74.649 19.093 -4.756 1.00 1.00 H new ATOM 0 HE2 PHE A 992 73.286 15.301 -3.286 1.00 1.00 H new ATOM 0 HZ PHE A 992 74.982 16.655 -4.476 1.00 1.00 H new ATOM 589 N PHE A 993 68.489 19.030 -4.808 1.00 1.00 N ATOM 590 CA PHE A 993 68.050 18.607 -6.136 1.00 1.00 C ATOM 591 C PHE A 993 67.306 19.739 -6.842 1.00 1.00 C ATOM 592 O PHE A 993 67.224 19.753 -8.071 1.00 1.00 O ATOM 593 CB PHE A 993 67.159 17.367 -6.061 1.00 1.00 C ATOM 594 CG PHE A 993 68.017 16.154 -5.804 1.00 1.00 C ATOM 595 CD1 PHE A 993 68.908 15.711 -6.790 1.00 1.00 C ATOM 596 CD2 PHE A 993 67.933 15.477 -4.583 1.00 1.00 C ATOM 597 CE1 PHE A 993 69.712 14.590 -6.555 1.00 1.00 C ATOM 598 CE2 PHE A 993 68.737 14.356 -4.349 1.00 1.00 C ATOM 599 CZ PHE A 993 69.626 13.913 -5.333 1.00 1.00 C ATOM 0 H PHE A 993 67.870 18.765 -4.042 1.00 1.00 H new ATOM 0 HA PHE A 993 68.941 18.353 -6.710 1.00 1.00 H new ATOM 0 HB2 PHE A 993 66.423 17.481 -5.266 1.00 1.00 H new ATOM 0 HB3 PHE A 993 66.606 17.245 -6.992 1.00 1.00 H new ATOM 0 HD1 PHE A 993 68.974 16.235 -7.732 1.00 1.00 H new ATOM 0 HD2 PHE A 993 67.248 15.819 -3.821 1.00 1.00 H new ATOM 0 HE1 PHE A 993 70.398 14.248 -7.316 1.00 1.00 H new ATOM 0 HE2 PHE A 993 68.671 13.832 -3.407 1.00 1.00 H new ATOM 0 HZ PHE A 993 70.247 13.048 -5.150 1.00 1.00 H new ATOM 804 N ASP B 692 76.383 -16.340 6.874 1.00 1.00 N ATOM 805 CA ASP B 692 75.821 -15.775 8.095 1.00 1.00 C ATOM 806 C ASP B 692 74.633 -14.877 7.767 1.00 1.00 C ATOM 807 O ASP B 692 74.622 -14.184 6.755 1.00 1.00 O ATOM 808 CB ASP B 692 76.887 -14.961 8.834 1.00 1.00 C ATOM 809 CG ASP B 692 77.845 -15.886 9.584 1.00 1.00 C ATOM 810 OD1 ASP B 692 77.514 -17.049 9.752 1.00 1.00 O ATOM 811 OD2 ASP B 692 78.900 -15.417 9.977 1.00 1.00 O ATOM 0 HA ASP B 692 75.483 -16.593 8.731 1.00 1.00 H new ATOM 0 HB2 ASP B 692 77.444 -14.351 8.123 1.00 1.00 H new ATOM 0 HB3 ASP B 692 76.409 -14.277 9.535 1.00 1.00 H new ATOM 816 N ILE B 693 73.610 -14.939 8.603 1.00 1.00 N ATOM 817 CA ILE B 693 72.396 -14.169 8.375 1.00 1.00 C ATOM 818 C ILE B 693 72.629 -12.654 8.414 1.00 1.00 C ATOM 819 O ILE B 693 72.099 -11.924 7.577 1.00 1.00 O ATOM 820 CB ILE B 693 71.365 -14.537 9.444 1.00 1.00 C ATOM 821 CG1 ILE B 693 70.897 -15.979 9.230 1.00 1.00 C ATOM 822 CG2 ILE B 693 70.164 -13.592 9.358 1.00 1.00 C ATOM 823 CD1 ILE B 693 70.091 -16.443 10.444 1.00 1.00 C ATOM 0 H ILE B 693 73.595 -15.514 9.445 1.00 1.00 H new ATOM 0 HA ILE B 693 72.041 -14.417 7.375 1.00 1.00 H new ATOM 0 HB ILE B 693 71.823 -14.445 10.429 1.00 1.00 H new ATOM 0 HG12 ILE B 693 70.287 -16.044 8.329 1.00 1.00 H new ATOM 0 HG13 ILE B 693 71.756 -16.632 9.080 1.00 1.00 H new ATOM 0 HG21 ILE B 693 69.434 -13.860 10.122 1.00 1.00 H new ATOM 0 HG22 ILE B 693 70.496 -12.566 9.518 1.00 1.00 H new ATOM 0 HG23 ILE B 693 69.705 -13.676 8.373 1.00 1.00 H new ATOM 0 HD11 ILE B 693 69.759 -17.470 10.289 1.00 1.00 H new ATOM 0 HD12 ILE B 693 70.716 -16.394 11.336 1.00 1.00 H new ATOM 0 HD13 ILE B 693 69.223 -15.796 10.573 1.00 1.00 H new ATOM 835 N LEU B 694 73.392 -12.181 9.397 1.00 1.00 N ATOM 836 CA LEU B 694 73.644 -10.746 9.537 1.00 1.00 C ATOM 837 C LEU B 694 74.416 -10.149 8.356 1.00 1.00 C ATOM 838 O LEU B 694 74.091 -9.060 7.889 1.00 1.00 O ATOM 839 CB LEU B 694 74.428 -10.488 10.825 1.00 1.00 C ATOM 840 CG LEU B 694 73.538 -10.769 12.043 1.00 1.00 C ATOM 841 CD1 LEU B 694 74.388 -10.733 13.313 1.00 1.00 C ATOM 842 CD2 LEU B 694 72.423 -9.718 12.147 1.00 1.00 C ATOM 0 H LEU B 694 73.843 -12.763 10.103 1.00 1.00 H new ATOM 0 HA LEU B 694 72.669 -10.259 9.565 1.00 1.00 H new ATOM 0 HB2 LEU B 694 75.313 -11.124 10.856 1.00 1.00 H new ATOM 0 HB3 LEU B 694 74.776 -9.455 10.849 1.00 1.00 H new ATOM 0 HG LEU B 694 73.085 -11.754 11.927 1.00 1.00 H new ATOM 0 HD11 LEU B 694 73.757 -10.932 14.179 1.00 1.00 H new ATOM 0 HD12 LEU B 694 75.168 -11.492 13.250 1.00 1.00 H new ATOM 0 HD13 LEU B 694 74.846 -9.749 13.417 1.00 1.00 H new ATOM 0 HD21 LEU B 694 71.801 -9.932 13.016 1.00 1.00 H new ATOM 0 HD22 LEU B 694 72.865 -8.727 12.253 1.00 1.00 H new ATOM 0 HD23 LEU B 694 71.810 -9.747 11.246 1.00 1.00 H new ATOM 854 N VAL B 695 75.455 -10.841 7.894 1.00 1.00 N ATOM 855 CA VAL B 695 76.261 -10.307 6.794 1.00 1.00 C ATOM 856 C VAL B 695 75.446 -10.203 5.507 1.00 1.00 C ATOM 857 O VAL B 695 75.553 -9.215 4.778 1.00 1.00 O ATOM 858 CB VAL B 695 77.526 -11.145 6.563 1.00 1.00 C ATOM 859 CG1 VAL B 695 78.157 -11.505 7.910 1.00 1.00 C ATOM 860 CG2 VAL B 695 77.188 -12.419 5.795 1.00 1.00 C ATOM 0 H VAL B 695 75.755 -11.748 8.251 1.00 1.00 H new ATOM 0 HA VAL B 695 76.571 -9.303 7.083 1.00 1.00 H new ATOM 0 HB VAL B 695 78.233 -10.560 5.975 1.00 1.00 H new ATOM 0 HG11 VAL B 695 79.055 -12.100 7.744 1.00 1.00 H new ATOM 0 HG12 VAL B 695 78.420 -10.592 8.444 1.00 1.00 H new ATOM 0 HG13 VAL B 695 77.446 -12.080 8.503 1.00 1.00 H new ATOM 0 HG21 VAL B 695 78.096 -13.002 5.640 1.00 1.00 H new ATOM 0 HG22 VAL B 695 76.471 -13.009 6.366 1.00 1.00 H new ATOM 0 HG23 VAL B 695 76.755 -12.158 4.830 1.00 1.00 H new ATOM 870 N VAL B 696 74.627 -11.211 5.227 1.00 1.00 N ATOM 871 CA VAL B 696 73.808 -11.187 4.020 1.00 1.00 C ATOM 872 C VAL B 696 72.813 -10.028 4.070 1.00 1.00 C ATOM 873 O VAL B 696 72.637 -9.304 3.092 1.00 1.00 O ATOM 874 CB VAL B 696 73.052 -12.509 3.877 1.00 1.00 C ATOM 875 CG1 VAL B 696 72.038 -12.398 2.738 1.00 1.00 C ATOM 876 CG2 VAL B 696 74.045 -13.633 3.568 1.00 1.00 C ATOM 0 H VAL B 696 74.513 -12.042 5.808 1.00 1.00 H new ATOM 0 HA VAL B 696 74.463 -11.050 3.160 1.00 1.00 H new ATOM 0 HB VAL B 696 72.529 -12.730 4.807 1.00 1.00 H new ATOM 0 HG11 VAL B 696 71.500 -13.340 2.637 1.00 1.00 H new ATOM 0 HG12 VAL B 696 71.331 -11.598 2.957 1.00 1.00 H new ATOM 0 HG13 VAL B 696 72.560 -12.176 1.807 1.00 1.00 H new ATOM 0 HG21 VAL B 696 73.507 -14.576 3.466 1.00 1.00 H new ATOM 0 HG22 VAL B 696 74.568 -13.411 2.638 1.00 1.00 H new ATOM 0 HG23 VAL B 696 74.768 -13.714 4.380 1.00 1.00 H new ATOM 886 N LEU B 697 72.151 -9.872 5.211 1.00 1.00 N ATOM 887 CA LEU B 697 71.162 -8.811 5.375 1.00 1.00 C ATOM 888 C LEU B 697 71.792 -7.424 5.253 1.00 1.00 C ATOM 889 O LEU B 697 71.232 -6.533 4.611 1.00 1.00 O ATOM 890 CB LEU B 697 70.482 -8.951 6.741 1.00 1.00 C ATOM 891 CG LEU B 697 69.423 -7.849 6.917 1.00 1.00 C ATOM 892 CD1 LEU B 697 68.415 -8.286 7.981 1.00 1.00 C ATOM 893 CD2 LEU B 697 70.064 -6.515 7.348 1.00 1.00 C ATOM 0 H LEU B 697 72.279 -10.463 6.033 1.00 1.00 H new ATOM 0 HA LEU B 697 70.426 -8.913 4.578 1.00 1.00 H new ATOM 0 HB2 LEU B 697 70.015 -9.932 6.825 1.00 1.00 H new ATOM 0 HB3 LEU B 697 71.225 -8.883 7.535 1.00 1.00 H new ATOM 0 HG LEU B 697 68.927 -7.697 5.958 1.00 1.00 H new ATOM 0 HD11 LEU B 697 67.662 -7.509 8.110 1.00 1.00 H new ATOM 0 HD12 LEU B 697 67.932 -9.211 7.666 1.00 1.00 H new ATOM 0 HD13 LEU B 697 68.932 -8.451 8.926 1.00 1.00 H new ATOM 0 HD21 LEU B 697 69.288 -5.759 7.463 1.00 1.00 H new ATOM 0 HD22 LEU B 697 70.582 -6.650 8.297 1.00 1.00 H new ATOM 0 HD23 LEU B 697 70.776 -6.191 6.589 1.00 1.00 H new ATOM 905 N LEU B 698 72.958 -7.247 5.866 1.00 1.00 N ATOM 906 CA LEU B 698 73.651 -5.963 5.811 1.00 1.00 C ATOM 907 C LEU B 698 74.053 -5.636 4.381 1.00 1.00 C ATOM 908 O LEU B 698 73.921 -4.500 3.928 1.00 1.00 O ATOM 909 CB LEU B 698 74.892 -5.988 6.707 1.00 1.00 C ATOM 910 CG LEU B 698 74.466 -6.010 8.180 1.00 1.00 C ATOM 911 CD1 LEU B 698 75.688 -6.283 9.060 1.00 1.00 C ATOM 912 CD2 LEU B 698 73.848 -4.661 8.577 1.00 1.00 C ATOM 0 H LEU B 698 73.440 -7.969 6.402 1.00 1.00 H new ATOM 0 HA LEU B 698 72.970 -5.191 6.171 1.00 1.00 H new ATOM 0 HB2 LEU B 698 75.498 -6.865 6.481 1.00 1.00 H new ATOM 0 HB3 LEU B 698 75.512 -5.113 6.511 1.00 1.00 H new ATOM 0 HG LEU B 698 73.724 -6.796 8.320 1.00 1.00 H new ATOM 0 HD11 LEU B 698 75.386 -6.299 10.107 1.00 1.00 H new ATOM 0 HD12 LEU B 698 76.121 -7.247 8.793 1.00 1.00 H new ATOM 0 HD13 LEU B 698 76.429 -5.498 8.908 1.00 1.00 H new ATOM 0 HD21 LEU B 698 73.550 -4.692 9.625 1.00 1.00 H new ATOM 0 HD22 LEU B 698 74.581 -3.868 8.431 1.00 1.00 H new ATOM 0 HD23 LEU B 698 72.973 -4.465 7.957 1.00 1.00 H new ATOM 924 N SER B 699 74.550 -6.643 3.676 1.00 1.00 N ATOM 925 CA SER B 699 74.976 -6.462 2.297 1.00 1.00 C ATOM 926 C SER B 699 73.807 -6.044 1.409 1.00 1.00 C ATOM 927 O SER B 699 73.966 -5.216 0.512 1.00 1.00 O ATOM 928 CB SER B 699 75.584 -7.766 1.794 1.00 1.00 C ATOM 929 OG SER B 699 74.642 -8.814 1.979 1.00 1.00 O ATOM 0 H SER B 699 74.668 -7.590 4.036 1.00 1.00 H new ATOM 0 HA SER B 699 75.720 -5.666 2.256 1.00 1.00 H new ATOM 0 HB2 SER B 699 75.847 -7.677 0.740 1.00 1.00 H new ATOM 0 HB3 SER B 699 76.504 -7.986 2.335 1.00 1.00 H new ATOM 0 HG SER B 699 73.935 -8.515 2.588 1.00 1.00 H new ATOM 935 N VAL B 700 72.630 -6.608 1.665 1.00 1.00 N ATOM 936 CA VAL B 700 71.451 -6.265 0.877 1.00 1.00 C ATOM 937 C VAL B 700 71.102 -4.792 1.069 1.00 1.00 C ATOM 938 O VAL B 700 70.829 -4.076 0.111 1.00 1.00 O ATOM 939 CB VAL B 700 70.265 -7.133 1.305 1.00 1.00 C ATOM 940 CG1 VAL B 700 68.991 -6.628 0.628 1.00 1.00 C ATOM 941 CG2 VAL B 700 70.520 -8.586 0.894 1.00 1.00 C ATOM 0 H VAL B 700 72.468 -7.295 2.401 1.00 1.00 H new ATOM 0 HA VAL B 700 71.669 -6.447 -0.176 1.00 1.00 H new ATOM 0 HB VAL B 700 70.147 -7.077 2.387 1.00 1.00 H new ATOM 0 HG11 VAL B 700 68.147 -7.247 0.933 1.00 1.00 H new ATOM 0 HG12 VAL B 700 68.808 -5.594 0.922 1.00 1.00 H new ATOM 0 HG13 VAL B 700 69.108 -6.682 -0.454 1.00 1.00 H new ATOM 0 HG21 VAL B 700 69.675 -9.204 1.199 1.00 1.00 H new ATOM 0 HG22 VAL B 700 70.639 -8.643 -0.188 1.00 1.00 H new ATOM 0 HG23 VAL B 700 71.427 -8.947 1.378 1.00 1.00 H new ATOM 951 N MET B 701 71.129 -4.356 2.321 1.00 1.00 N ATOM 952 CA MET B 701 70.818 -2.966 2.637 1.00 1.00 C ATOM 953 C MET B 701 71.815 -2.028 1.967 1.00 1.00 C ATOM 954 O MET B 701 71.429 -0.989 1.441 1.00 1.00 O ATOM 955 CB MET B 701 70.805 -2.737 4.149 1.00 1.00 C ATOM 956 CG MET B 701 69.485 -3.244 4.733 1.00 1.00 C ATOM 957 SD MET B 701 69.532 -3.133 6.541 1.00 1.00 S ATOM 958 CE MET B 701 69.496 -1.327 6.676 1.00 1.00 C ATOM 0 H MET B 701 71.360 -4.936 3.127 1.00 1.00 H new ATOM 0 HA MET B 701 69.822 -2.749 2.251 1.00 1.00 H new ATOM 0 HB2 MET B 701 71.643 -3.257 4.613 1.00 1.00 H new ATOM 0 HB3 MET B 701 70.927 -1.676 4.367 1.00 1.00 H new ATOM 0 HG2 MET B 701 68.655 -2.654 4.345 1.00 1.00 H new ATOM 0 HG3 MET B 701 69.314 -4.276 4.427 1.00 1.00 H new ATOM 0 HE1 MET B 701 69.115 -1.043 7.657 1.00 1.00 H new ATOM 0 HE2 MET B 701 70.504 -0.933 6.550 1.00 1.00 H new ATOM 0 HE3 MET B 701 68.847 -0.917 5.902 1.00 1.00 H new ATOM 968 N GLY B 702 73.089 -2.401 1.951 1.00 1.00 N ATOM 969 CA GLY B 702 74.096 -1.573 1.298 1.00 1.00 C ATOM 970 C GLY B 702 73.823 -1.502 -0.199 1.00 1.00 C ATOM 971 O GLY B 702 73.961 -0.449 -0.823 1.00 1.00 O ATOM 0 H GLY B 702 73.446 -3.257 2.375 1.00 1.00 H new ATOM 0 HA2 GLY B 702 74.087 -0.570 1.725 1.00 1.00 H new ATOM 0 HA3 GLY B 702 75.089 -1.986 1.476 1.00 1.00 H new ATOM 975 N ALA B 703 73.445 -2.638 -0.770 1.00 1.00 N ATOM 976 CA ALA B 703 73.165 -2.711 -2.199 1.00 1.00 C ATOM 977 C ALA B 703 72.012 -1.781 -2.572 1.00 1.00 C ATOM 978 O ALA B 703 72.023 -1.160 -3.635 1.00 1.00 O ATOM 979 CB ALA B 703 72.825 -4.149 -2.591 1.00 1.00 C ATOM 0 H ALA B 703 73.325 -3.518 -0.269 1.00 1.00 H new ATOM 0 HA ALA B 703 74.054 -2.392 -2.742 1.00 1.00 H new ATOM 0 HB1 ALA B 703 72.617 -4.195 -3.660 1.00 1.00 H new ATOM 0 HB2 ALA B 703 73.668 -4.799 -2.357 1.00 1.00 H new ATOM 0 HB3 ALA B 703 71.947 -4.480 -2.036 1.00 1.00 H new ATOM 985 N ILE B 704 71.031 -1.676 -1.685 1.00 1.00 N ATOM 986 CA ILE B 704 69.894 -0.801 -1.941 1.00 1.00 C ATOM 987 C ILE B 704 70.381 0.643 -2.047 1.00 1.00 C ATOM 988 O ILE B 704 69.915 1.401 -2.889 1.00 1.00 O ATOM 989 CB ILE B 704 68.843 -0.893 -0.828 1.00 1.00 C ATOM 990 CG1 ILE B 704 68.174 -2.287 -0.815 1.00 1.00 C ATOM 991 CG2 ILE B 704 67.777 0.187 -1.044 1.00 1.00 C ATOM 992 CD1 ILE B 704 67.512 -2.608 -2.163 1.00 1.00 C ATOM 0 H ILE B 704 70.998 -2.176 -0.797 1.00 1.00 H new ATOM 0 HA ILE B 704 69.430 -1.121 -2.874 1.00 1.00 H new ATOM 0 HB ILE B 704 69.338 -0.740 0.131 1.00 1.00 H new ATOM 0 HG12 ILE B 704 68.920 -3.047 -0.585 1.00 1.00 H new ATOM 0 HG13 ILE B 704 67.426 -2.325 -0.023 1.00 1.00 H new ATOM 0 HG21 ILE B 704 67.029 0.123 -0.254 1.00 1.00 H new ATOM 0 HG22 ILE B 704 68.246 1.171 -1.021 1.00 1.00 H new ATOM 0 HG23 ILE B 704 67.297 0.036 -2.011 1.00 1.00 H new ATOM 0 HD11 ILE B 704 67.052 -3.595 -2.117 1.00 1.00 H new ATOM 0 HD12 ILE B 704 66.748 -1.862 -2.380 1.00 1.00 H new ATOM 0 HD13 ILE B 704 68.265 -2.595 -2.951 1.00 1.00 H new ATOM 1004 N LEU B 705 71.292 1.037 -1.166 1.00 1.00 N ATOM 1005 CA LEU B 705 71.792 2.406 -1.190 1.00 1.00 C ATOM 1006 C LEU B 705 72.528 2.711 -2.496 1.00 1.00 C ATOM 1007 O LEU B 705 72.347 3.781 -3.073 1.00 1.00 O ATOM 1008 CB LEU B 705 72.738 2.659 -0.005 1.00 1.00 C ATOM 1009 CG LEU B 705 71.957 3.102 1.246 1.00 1.00 C ATOM 1010 CD1 LEU B 705 71.543 4.570 1.112 1.00 1.00 C ATOM 1011 CD2 LEU B 705 70.704 2.239 1.446 1.00 1.00 C ATOM 0 H LEU B 705 71.693 0.443 -0.440 1.00 1.00 H new ATOM 0 HA LEU B 705 70.928 3.066 -1.114 1.00 1.00 H new ATOM 0 HB2 LEU B 705 73.299 1.751 0.216 1.00 1.00 H new ATOM 0 HB3 LEU B 705 73.465 3.426 -0.274 1.00 1.00 H new ATOM 0 HG LEU B 705 72.609 2.980 2.111 1.00 1.00 H new ATOM 0 HD11 LEU B 705 70.991 4.875 2.001 1.00 1.00 H new ATOM 0 HD12 LEU B 705 72.433 5.191 1.006 1.00 1.00 H new ATOM 0 HD13 LEU B 705 70.910 4.691 0.233 1.00 1.00 H new ATOM 0 HD21 LEU B 705 70.171 2.573 2.336 1.00 1.00 H new ATOM 0 HD22 LEU B 705 70.054 2.334 0.576 1.00 1.00 H new ATOM 0 HD23 LEU B 705 70.996 1.196 1.568 1.00 1.00 H new ATOM 1023 N LEU B 706 73.374 1.788 -2.951 1.00 1.00 N ATOM 1024 CA LEU B 706 74.139 2.011 -4.178 1.00 1.00 C ATOM 1025 C LEU B 706 73.247 2.126 -5.418 1.00 1.00 C ATOM 1026 O LEU B 706 73.465 2.998 -6.259 1.00 1.00 O ATOM 1027 CB LEU B 706 75.139 0.870 -4.380 1.00 1.00 C ATOM 1028 CG LEU B 706 76.240 0.945 -3.312 1.00 1.00 C ATOM 1029 CD1 LEU B 706 77.098 -0.320 -3.386 1.00 1.00 C ATOM 1030 CD2 LEU B 706 77.127 2.180 -3.537 1.00 1.00 C ATOM 0 H LEU B 706 73.546 0.891 -2.497 1.00 1.00 H new ATOM 0 HA LEU B 706 74.661 2.961 -4.059 1.00 1.00 H new ATOM 0 HB2 LEU B 706 74.626 -0.090 -4.319 1.00 1.00 H new ATOM 0 HB3 LEU B 706 75.580 0.933 -5.375 1.00 1.00 H new ATOM 0 HG LEU B 706 75.775 1.024 -2.329 1.00 1.00 H new ATOM 0 HD11 LEU B 706 77.882 -0.273 -2.630 1.00 1.00 H new ATOM 0 HD12 LEU B 706 76.473 -1.195 -3.206 1.00 1.00 H new ATOM 0 HD13 LEU B 706 77.551 -0.395 -4.374 1.00 1.00 H new ATOM 0 HD21 LEU B 706 77.901 2.216 -2.771 1.00 1.00 H new ATOM 0 HD22 LEU B 706 77.593 2.119 -4.521 1.00 1.00 H new ATOM 0 HD23 LEU B 706 76.517 3.081 -3.479 1.00 1.00 H new ATOM 1042 N ILE B 707 72.256 1.242 -5.549 1.00 1.00 N ATOM 1043 CA ILE B 707 71.392 1.289 -6.728 1.00 1.00 C ATOM 1044 C ILE B 707 70.545 2.555 -6.727 1.00 1.00 C ATOM 1045 O ILE B 707 70.388 3.196 -7.763 1.00 1.00 O ATOM 1046 CB ILE B 707 70.502 0.038 -6.823 1.00 1.00 C ATOM 1047 CG1 ILE B 707 69.789 0.017 -8.182 1.00 1.00 C ATOM 1048 CG2 ILE B 707 69.465 0.051 -5.708 1.00 1.00 C ATOM 1049 CD1 ILE B 707 69.136 -1.352 -8.403 1.00 1.00 C ATOM 0 H ILE B 707 72.036 0.507 -4.876 1.00 1.00 H new ATOM 0 HA ILE B 707 72.035 1.306 -7.608 1.00 1.00 H new ATOM 0 HB ILE B 707 71.125 -0.850 -6.722 1.00 1.00 H new ATOM 0 HG12 ILE B 707 69.033 0.801 -8.219 1.00 1.00 H new ATOM 0 HG13 ILE B 707 70.502 0.224 -8.980 1.00 1.00 H new ATOM 0 HG21 ILE B 707 68.839 -0.838 -5.783 1.00 1.00 H new ATOM 0 HG22 ILE B 707 69.970 0.059 -4.742 1.00 1.00 H new ATOM 0 HG23 ILE B 707 68.843 0.941 -5.800 1.00 1.00 H new ATOM 0 HD11 ILE B 707 68.631 -1.363 -9.369 1.00 1.00 H new ATOM 0 HD12 ILE B 707 69.902 -2.127 -8.385 1.00 1.00 H new ATOM 0 HD13 ILE B 707 68.410 -1.541 -7.612 1.00 1.00 H new ATOM 1061 N GLY B 708 70.013 2.931 -5.566 1.00 1.00 N ATOM 1062 CA GLY B 708 69.211 4.147 -5.487 1.00 1.00 C ATOM 1063 C GLY B 708 70.085 5.376 -5.737 1.00 1.00 C ATOM 1064 O GLY B 708 69.660 6.338 -6.377 1.00 1.00 O ATOM 0 H GLY B 708 70.119 2.424 -4.687 1.00 1.00 H new ATOM 0 HA2 GLY B 708 68.407 4.109 -6.222 1.00 1.00 H new ATOM 0 HA3 GLY B 708 68.743 4.219 -4.505 1.00 1.00 H new ATOM 1068 N LEU B 709 71.304 5.333 -5.207 1.00 1.00 N ATOM 1069 CA LEU B 709 72.272 6.419 -5.338 1.00 1.00 C ATOM 1070 C LEU B 709 72.771 6.631 -6.774 1.00 1.00 C ATOM 1071 O LEU B 709 73.021 7.763 -7.179 1.00 1.00 O ATOM 1072 CB LEU B 709 73.471 6.148 -4.425 1.00 1.00 C ATOM 1073 CG LEU B 709 73.118 6.520 -2.978 1.00 1.00 C ATOM 1074 CD1 LEU B 709 74.200 5.987 -2.037 1.00 1.00 C ATOM 1075 CD2 LEU B 709 73.027 8.044 -2.826 1.00 1.00 C ATOM 0 H LEU B 709 71.651 4.538 -4.670 1.00 1.00 H new ATOM 0 HA LEU B 709 71.752 7.332 -5.047 1.00 1.00 H new ATOM 0 HB2 LEU B 709 73.752 5.096 -4.481 1.00 1.00 H new ATOM 0 HB3 LEU B 709 74.332 6.727 -4.759 1.00 1.00 H new ATOM 0 HG LEU B 709 72.154 6.078 -2.727 1.00 1.00 H new ATOM 0 HD11 LEU B 709 73.950 6.251 -1.009 1.00 1.00 H new ATOM 0 HD12 LEU B 709 74.260 4.903 -2.129 1.00 1.00 H new ATOM 0 HD13 LEU B 709 75.161 6.428 -2.301 1.00 1.00 H new ATOM 0 HD21 LEU B 709 72.776 8.292 -1.795 1.00 1.00 H new ATOM 0 HD22 LEU B 709 73.986 8.493 -3.084 1.00 1.00 H new ATOM 0 HD23 LEU B 709 72.254 8.430 -3.491 1.00 1.00 H new ATOM 1087 N ALA B 710 72.979 5.547 -7.521 1.00 1.00 N ATOM 1088 CA ALA B 710 73.528 5.666 -8.875 1.00 1.00 C ATOM 1089 C ALA B 710 72.738 6.653 -9.741 1.00 1.00 C ATOM 1090 O ALA B 710 73.319 7.606 -10.261 1.00 1.00 O ATOM 1091 CB ALA B 710 73.606 4.292 -9.549 1.00 1.00 C ATOM 0 H ALA B 710 72.781 4.593 -7.221 1.00 1.00 H new ATOM 0 HA ALA B 710 74.537 6.067 -8.777 1.00 1.00 H new ATOM 0 HB1 ALA B 710 74.016 4.402 -10.553 1.00 1.00 H new ATOM 0 HB2 ALA B 710 74.250 3.636 -8.964 1.00 1.00 H new ATOM 0 HB3 ALA B 710 72.607 3.860 -9.610 1.00 1.00 H new ATOM 1097 N PRO B 711 71.451 6.480 -9.908 1.00 1.00 N ATOM 1098 CA PRO B 711 70.642 7.429 -10.723 1.00 1.00 C ATOM 1099 C PRO B 711 70.827 8.871 -10.255 1.00 1.00 C ATOM 1100 O PRO B 711 70.953 9.787 -11.062 1.00 1.00 O ATOM 1101 CB PRO B 711 69.196 6.989 -10.482 1.00 1.00 C ATOM 1102 CG PRO B 711 69.270 5.568 -10.040 1.00 1.00 C ATOM 1103 CD PRO B 711 70.632 5.382 -9.371 1.00 1.00 C ATOM 0 HA PRO B 711 70.933 7.409 -11.773 1.00 1.00 H new ATOM 0 HB2 PRO B 711 68.720 7.610 -9.723 1.00 1.00 H new ATOM 0 HB3 PRO B 711 68.602 7.085 -11.391 1.00 1.00 H new ATOM 0 HG2 PRO B 711 68.463 5.337 -9.344 1.00 1.00 H new ATOM 0 HG3 PRO B 711 69.161 4.893 -10.889 1.00 1.00 H new ATOM 0 HD2 PRO B 711 70.553 5.438 -8.285 1.00 1.00 H new ATOM 0 HD3 PRO B 711 71.063 4.410 -9.610 1.00 1.00 H new ATOM 1111 N LEU B 712 70.848 9.061 -8.942 1.00 1.00 N ATOM 1112 CA LEU B 712 71.033 10.388 -8.368 1.00 1.00 C ATOM 1113 C LEU B 712 72.430 10.937 -8.670 1.00 1.00 C ATOM 1114 O LEU B 712 72.587 12.122 -8.965 1.00 1.00 O ATOM 1115 CB LEU B 712 70.821 10.331 -6.852 1.00 1.00 C ATOM 1116 CG LEU B 712 69.346 10.044 -6.544 1.00 1.00 C ATOM 1117 CD1 LEU B 712 69.179 9.774 -5.048 1.00 1.00 C ATOM 1118 CD2 LEU B 712 68.471 11.239 -6.947 1.00 1.00 C ATOM 0 H LEU B 712 70.739 8.315 -8.255 1.00 1.00 H new ATOM 0 HA LEU B 712 70.299 11.056 -8.820 1.00 1.00 H new ATOM 0 HB2 LEU B 712 71.451 9.555 -6.416 1.00 1.00 H new ATOM 0 HB3 LEU B 712 71.120 11.276 -6.398 1.00 1.00 H new ATOM 0 HG LEU B 712 69.033 9.170 -7.115 1.00 1.00 H new ATOM 0 HD11 LEU B 712 68.131 9.570 -4.830 1.00 1.00 H new ATOM 0 HD12 LEU B 712 69.783 8.912 -4.764 1.00 1.00 H new ATOM 0 HD13 LEU B 712 69.504 10.647 -4.482 1.00 1.00 H new ATOM 0 HD21 LEU B 712 67.428 11.018 -6.722 1.00 1.00 H new ATOM 0 HD22 LEU B 712 68.783 12.123 -6.391 1.00 1.00 H new ATOM 0 HD23 LEU B 712 68.580 11.426 -8.015 1.00 1.00 H new ATOM 1130 N LEU B 713 73.442 10.077 -8.568 1.00 1.00 N ATOM 1131 CA LEU B 713 74.827 10.495 -8.804 1.00 1.00 C ATOM 1132 C LEU B 713 75.068 10.962 -10.239 1.00 1.00 C ATOM 1133 O LEU B 713 75.763 11.954 -10.457 1.00 1.00 O ATOM 1134 CB LEU B 713 75.791 9.351 -8.470 1.00 1.00 C ATOM 1135 CG LEU B 713 75.833 9.137 -6.951 1.00 1.00 C ATOM 1136 CD1 LEU B 713 76.575 7.837 -6.640 1.00 1.00 C ATOM 1137 CD2 LEU B 713 76.558 10.306 -6.268 1.00 1.00 C ATOM 0 H LEU B 713 73.333 9.092 -8.325 1.00 1.00 H new ATOM 0 HA LEU B 713 75.012 11.345 -8.148 1.00 1.00 H new ATOM 0 HB2 LEU B 713 75.470 8.436 -8.967 1.00 1.00 H new ATOM 0 HB3 LEU B 713 76.789 9.583 -8.842 1.00 1.00 H new ATOM 0 HG LEU B 713 74.811 9.082 -6.576 1.00 1.00 H new ATOM 0 HD11 LEU B 713 76.605 7.684 -5.561 1.00 1.00 H new ATOM 0 HD12 LEU B 713 76.057 7.001 -7.110 1.00 1.00 H new ATOM 0 HD13 LEU B 713 77.592 7.897 -7.026 1.00 1.00 H new ATOM 0 HD21 LEU B 713 76.580 10.141 -5.191 1.00 1.00 H new ATOM 0 HD22 LEU B 713 77.578 10.372 -6.646 1.00 1.00 H new ATOM 0 HD23 LEU B 713 76.031 11.236 -6.482 1.00 1.00 H new ATOM 1149 N ILE B 714 74.511 10.256 -11.219 1.00 1.00 N ATOM 1150 CA ILE B 714 74.720 10.649 -12.611 1.00 1.00 C ATOM 1151 C ILE B 714 74.065 12.000 -12.862 1.00 1.00 C ATOM 1152 O ILE B 714 74.615 12.844 -13.571 1.00 1.00 O ATOM 1153 CB ILE B 714 74.172 9.585 -13.584 1.00 1.00 C ATOM 1154 CG1 ILE B 714 74.952 9.632 -14.906 1.00 1.00 C ATOM 1155 CG2 ILE B 714 72.695 9.844 -13.884 1.00 1.00 C ATOM 1156 CD1 ILE B 714 74.543 8.445 -15.780 1.00 1.00 C ATOM 0 H ILE B 714 73.927 9.431 -11.083 1.00 1.00 H new ATOM 0 HA ILE B 714 75.792 10.731 -12.792 1.00 1.00 H new ATOM 0 HB ILE B 714 74.285 8.607 -13.116 1.00 1.00 H new ATOM 0 HG12 ILE B 714 74.750 10.568 -15.427 1.00 1.00 H new ATOM 0 HG13 ILE B 714 76.024 9.601 -14.710 1.00 1.00 H new ATOM 0 HG21 ILE B 714 72.325 9.084 -14.572 1.00 1.00 H new ATOM 0 HG22 ILE B 714 72.123 9.804 -12.957 1.00 1.00 H new ATOM 0 HG23 ILE B 714 72.583 10.829 -14.337 1.00 1.00 H new ATOM 0 HD11 ILE B 714 75.096 8.477 -16.719 1.00 1.00 H new ATOM 0 HD12 ILE B 714 74.767 7.515 -15.258 1.00 1.00 H new ATOM 0 HD13 ILE B 714 73.474 8.496 -15.986 1.00 1.00 H new ATOM 1168 N TRP B 715 72.892 12.203 -12.269 1.00 1.00 N ATOM 1169 CA TRP B 715 72.163 13.455 -12.412 1.00 1.00 C ATOM 1170 C TRP B 715 73.031 14.597 -11.899 1.00 1.00 C ATOM 1171 O TRP B 715 73.200 15.610 -12.576 1.00 1.00 O ATOM 1172 CB TRP B 715 70.859 13.298 -11.593 1.00 1.00 C ATOM 1173 CG TRP B 715 69.917 14.488 -11.623 1.00 1.00 C ATOM 1174 CD1 TRP B 715 70.231 15.816 -11.671 1.00 1.00 C ATOM 1175 CD2 TRP B 715 68.457 14.430 -11.622 1.00 1.00 C ATOM 1176 NE1 TRP B 715 69.059 16.553 -11.665 1.00 1.00 N ATOM 1177 CE2 TRP B 715 67.943 15.746 -11.649 1.00 1.00 C ATOM 1178 CE3 TRP B 715 67.540 13.363 -11.592 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 66.570 15.996 -11.649 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 66.157 13.611 -11.595 1.00 1.00 C ATOM 1181 CH2 TRP B 715 65.674 14.925 -11.623 1.00 1.00 C ATOM 0 H TRP B 715 72.426 11.511 -11.682 1.00 1.00 H new ATOM 0 HA TRP B 715 71.918 13.683 -13.449 1.00 1.00 H new ATOM 0 HB2 TRP B 715 70.323 12.424 -11.962 1.00 1.00 H new ATOM 0 HB3 TRP B 715 71.125 13.094 -10.556 1.00 1.00 H new ATOM 0 HD1 TRP B 715 71.230 16.225 -11.708 1.00 1.00 H new ATOM 0 HE1 TRP B 715 69.026 17.572 -11.672 1.00 1.00 H new ATOM 0 HE3 TRP B 715 67.902 12.346 -11.566 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 66.203 17.011 -11.669 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 65.463 12.784 -11.576 1.00 1.00 H new ATOM 0 HH2 TRP B 715 64.610 15.110 -11.624 1.00 1.00 H new ATOM 1192 N LYS B 716 73.588 14.430 -10.709 1.00 1.00 N ATOM 1193 CA LYS B 716 74.429 15.470 -10.129 1.00 1.00 C ATOM 1194 C LYS B 716 75.658 15.735 -11.006 1.00 1.00 C ATOM 1195 O LYS B 716 76.048 16.888 -11.193 1.00 1.00 O ATOM 1196 CB LYS B 716 74.867 15.063 -8.714 1.00 1.00 C ATOM 1197 CG LYS B 716 75.651 16.207 -8.027 1.00 1.00 C ATOM 1198 CD LYS B 716 74.719 17.117 -7.194 1.00 1.00 C ATOM 1199 CE LYS B 716 73.919 18.077 -8.085 1.00 1.00 C ATOM 1200 NZ LYS B 716 73.622 19.321 -7.320 1.00 1.00 N ATOM 0 H LYS B 716 73.476 13.597 -10.131 1.00 1.00 H new ATOM 0 HA LYS B 716 73.847 16.390 -10.073 1.00 1.00 H new ATOM 0 HB2 LYS B 716 73.991 14.808 -8.117 1.00 1.00 H new ATOM 0 HB3 LYS B 716 75.489 14.170 -8.765 1.00 1.00 H new ATOM 0 HG2 LYS B 716 76.420 15.784 -7.381 1.00 1.00 H new ATOM 0 HG3 LYS B 716 76.162 16.803 -8.783 1.00 1.00 H new ATOM 0 HD2 LYS B 716 74.032 16.501 -6.614 1.00 1.00 H new ATOM 0 HD3 LYS B 716 75.312 17.690 -6.481 1.00 1.00 H new ATOM 0 HE2 LYS B 716 74.486 18.316 -8.985 1.00 1.00 H new ATOM 0 HE3 LYS B 716 72.992 17.604 -8.409 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 72.659 19.644 -7.543 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 73.695 19.128 -6.301 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 74.305 20.061 -7.582 1.00 1.00 H new ATOM 1214 N LEU B 717 76.291 14.678 -11.513 1.00 1.00 N ATOM 1215 CA LEU B 717 77.488 14.860 -12.328 1.00 1.00 C ATOM 1216 C LEU B 717 77.173 15.661 -13.586 1.00 1.00 C ATOM 1217 O LEU B 717 77.921 16.568 -13.952 1.00 1.00 O ATOM 1218 CB LEU B 717 78.056 13.484 -12.715 1.00 1.00 C ATOM 1219 CG LEU B 717 79.312 13.642 -13.582 1.00 1.00 C ATOM 1220 CD1 LEU B 717 80.370 14.439 -12.815 1.00 1.00 C ATOM 1221 CD2 LEU B 717 79.867 12.256 -13.928 1.00 1.00 C ATOM 0 H LEU B 717 76.003 13.709 -11.378 1.00 1.00 H new ATOM 0 HA LEU B 717 78.225 15.414 -11.747 1.00 1.00 H new ATOM 0 HB2 LEU B 717 78.298 12.918 -11.815 1.00 1.00 H new ATOM 0 HB3 LEU B 717 77.302 12.913 -13.258 1.00 1.00 H new ATOM 0 HG LEU B 717 79.056 14.173 -14.499 1.00 1.00 H new ATOM 0 HD11 LEU B 717 81.261 14.550 -13.433 1.00 1.00 H new ATOM 0 HD12 LEU B 717 79.975 15.424 -12.568 1.00 1.00 H new ATOM 0 HD13 LEU B 717 80.629 13.911 -11.897 1.00 1.00 H new ATOM 0 HD21 LEU B 717 80.760 12.365 -14.544 1.00 1.00 H new ATOM 0 HD22 LEU B 717 80.122 11.727 -13.010 1.00 1.00 H new ATOM 0 HD23 LEU B 717 79.115 11.689 -14.476 1.00 1.00 H new ATOM 1233 N LEU B 718 76.087 15.297 -14.264 1.00 1.00 N ATOM 1234 CA LEU B 718 75.712 15.974 -15.505 1.00 1.00 C ATOM 1235 C LEU B 718 75.403 17.445 -15.262 1.00 1.00 C ATOM 1236 O LEU B 718 75.794 18.299 -16.051 1.00 1.00 O ATOM 1237 CB LEU B 718 74.490 15.312 -16.140 1.00 1.00 C ATOM 1238 CG LEU B 718 74.855 13.915 -16.638 1.00 1.00 C ATOM 1239 CD1 LEU B 718 73.574 13.214 -17.077 1.00 1.00 C ATOM 1240 CD2 LEU B 718 75.834 13.996 -17.822 1.00 1.00 C ATOM 0 H LEU B 718 75.457 14.546 -13.980 1.00 1.00 H new ATOM 0 HA LEU B 718 76.563 15.894 -16.181 1.00 1.00 H new ATOM 0 HB2 LEU B 718 73.681 15.248 -15.412 1.00 1.00 H new ATOM 0 HB3 LEU B 718 74.126 15.919 -16.969 1.00 1.00 H new ATOM 0 HG LEU B 718 75.340 13.359 -15.836 1.00 1.00 H new ATOM 0 HD11 LEU B 718 73.812 12.213 -17.437 1.00 1.00 H new ATOM 0 HD12 LEU B 718 72.890 13.142 -16.231 1.00 1.00 H new ATOM 0 HD13 LEU B 718 73.103 13.785 -17.877 1.00 1.00 H new ATOM 0 HD21 LEU B 718 76.080 12.989 -18.160 1.00 1.00 H new ATOM 0 HD22 LEU B 718 75.372 14.550 -18.639 1.00 1.00 H new ATOM 0 HD23 LEU B 718 76.745 14.506 -17.507 1.00 1.00 H new ATOM 1252 N ILE B 719 74.696 17.737 -14.176 1.00 1.00 N ATOM 1253 CA ILE B 719 74.355 19.110 -13.849 1.00 1.00 C ATOM 1254 C ILE B 719 75.625 19.883 -13.528 1.00 1.00 C ATOM 1255 O ILE B 719 75.773 21.041 -13.905 1.00 1.00 O ATOM 1256 CB ILE B 719 73.382 19.167 -12.674 1.00 1.00 C ATOM 1257 CG1 ILE B 719 72.021 18.564 -13.088 1.00 1.00 C ATOM 1258 CG2 ILE B 719 73.204 20.621 -12.225 1.00 1.00 C ATOM 1259 CD1 ILE B 719 71.370 19.348 -14.245 1.00 1.00 C ATOM 0 H ILE B 719 74.351 17.043 -13.513 1.00 1.00 H new ATOM 0 HA ILE B 719 73.863 19.565 -14.709 1.00 1.00 H new ATOM 0 HB ILE B 719 73.783 18.586 -11.844 1.00 1.00 H new ATOM 0 HG12 ILE B 719 72.161 17.525 -13.387 1.00 1.00 H new ATOM 0 HG13 ILE B 719 71.350 18.561 -12.229 1.00 1.00 H new ATOM 0 HG21 ILE B 719 72.509 20.660 -11.386 1.00 1.00 H new ATOM 0 HG22 ILE B 719 74.168 21.027 -11.917 1.00 1.00 H new ATOM 0 HG23 ILE B 719 72.809 21.211 -13.052 1.00 1.00 H new ATOM 0 HD11 ILE B 719 70.416 18.889 -14.504 1.00 1.00 H new ATOM 0 HD12 ILE B 719 71.205 20.381 -13.937 1.00 1.00 H new ATOM 0 HD13 ILE B 719 72.029 19.329 -15.113 1.00 1.00 H new ATOM 1271 N THR B 720 76.514 19.255 -12.769 1.00 1.00 N ATOM 1272 CA THR B 720 77.741 19.927 -12.364 1.00 1.00 C ATOM 1273 C THR B 720 78.539 20.364 -13.587 1.00 1.00 C ATOM 1274 O THR B 720 79.033 21.491 -13.628 1.00 1.00 O ATOM 1275 CB THR B 720 78.615 19.007 -11.499 1.00 1.00 C ATOM 1276 OG1 THR B 720 77.856 18.489 -10.411 1.00 1.00 O ATOM 1277 CG2 THR B 720 79.825 19.793 -10.972 1.00 1.00 C ATOM 0 H THR B 720 76.412 18.299 -12.427 1.00 1.00 H new ATOM 0 HA THR B 720 77.458 20.802 -11.779 1.00 1.00 H new ATOM 0 HB THR B 720 78.966 18.173 -12.106 1.00 1.00 H new ATOM 0 HG1 THR B 720 77.467 17.626 -10.665 1.00 1.00 H new ATOM 0 HG21 THR B 720 80.444 19.139 -10.358 1.00 1.00 H new ATOM 0 HG22 THR B 720 80.411 20.165 -11.812 1.00 1.00 H new ATOM 0 HG23 THR B 720 79.479 20.634 -10.371 1.00 1.00 H new ATOM 1285 N ILE B 721 78.691 19.487 -14.575 1.00 1.00 N ATOM 1286 CA ILE B 721 79.471 19.832 -15.762 1.00 1.00 C ATOM 1287 C ILE B 721 78.847 21.016 -16.506 1.00 1.00 C ATOM 1288 O ILE B 721 79.542 21.948 -16.914 1.00 1.00 O ATOM 1289 CB ILE B 721 79.542 18.614 -16.695 1.00 1.00 C ATOM 1290 CG1 ILE B 721 80.361 17.505 -16.020 1.00 1.00 C ATOM 1291 CG2 ILE B 721 80.239 19.019 -17.994 1.00 1.00 C ATOM 1292 CD1 ILE B 721 80.213 16.191 -16.791 1.00 1.00 C ATOM 0 H ILE B 721 78.293 18.548 -14.580 1.00 1.00 H new ATOM 0 HA ILE B 721 80.474 20.119 -15.447 1.00 1.00 H new ATOM 0 HB ILE B 721 78.534 18.256 -16.906 1.00 1.00 H new ATOM 0 HG12 ILE B 721 81.411 17.794 -15.978 1.00 1.00 H new ATOM 0 HG13 ILE B 721 80.026 17.371 -14.992 1.00 1.00 H new ATOM 0 HG21 ILE B 721 80.293 18.159 -18.661 1.00 1.00 H new ATOM 0 HG22 ILE B 721 79.675 19.817 -18.476 1.00 1.00 H new ATOM 0 HG23 ILE B 721 81.247 19.370 -17.772 1.00 1.00 H new ATOM 0 HD11 ILE B 721 80.799 15.414 -16.301 1.00 1.00 H new ATOM 0 HD12 ILE B 721 79.164 15.897 -16.810 1.00 1.00 H new ATOM 0 HD13 ILE B 721 80.571 16.326 -17.812 1.00 1.00 H new ATOM 1304 N HIS B 722 77.528 20.992 -16.657 1.00 1.00 N ATOM 1305 CA HIS B 722 76.844 22.097 -17.330 1.00 1.00 C ATOM 1306 C HIS B 722 77.045 23.397 -16.549 1.00 1.00 C ATOM 1307 O HIS B 722 77.278 24.456 -17.132 1.00 1.00 O ATOM 1308 CB HIS B 722 75.349 21.803 -17.474 1.00 1.00 C ATOM 1309 CG HIS B 722 75.153 20.773 -18.545 1.00 1.00 C ATOM 1310 ND1 HIS B 722 75.365 19.428 -18.314 1.00 1.00 N ATOM 1311 CD2 HIS B 722 74.765 20.872 -19.859 1.00 1.00 C ATOM 1312 CE1 HIS B 722 75.104 18.772 -19.457 1.00 1.00 C ATOM 1313 NE2 HIS B 722 74.734 19.605 -20.433 1.00 1.00 N ATOM 0 H HIS B 722 76.920 20.240 -16.332 1.00 1.00 H new ATOM 0 HA HIS B 722 77.274 22.208 -18.326 1.00 1.00 H new ATOM 0 HB2 HIS B 722 74.944 21.444 -16.528 1.00 1.00 H new ATOM 0 HB3 HIS B 722 74.809 22.715 -17.726 1.00 1.00 H new ATOM 0 HD1 HIS B 722 75.666 19.008 -17.434 1.00 1.00 H new ATOM 0 HD2 HIS B 722 74.521 21.793 -20.369 1.00 1.00 H new ATOM 0 HE1 HIS B 722 75.184 17.701 -19.572 1.00 1.00 H new