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 73:sc= 0.444 USER MOD Single : A 987 MET CE :methyl -179:sc= -1.05 (180deg=-1.06) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 699 SER OG : rot -7:sc=-0.00467 USER MOD Single : B 701 MET CE :methyl 158:sc= -0.0871 (180deg=-0.721) USER MOD Single : B 716 LYS NZ :NH3+ 141:sc= 1.56 (180deg=1.31) USER MOD Single : B 720 THR OG1 : rot 76:sc= 1.07 USER MOD Single : B 722 HIS : no HE2:sc= 1.07 K(o=1.1,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 64.581 -16.609 4.112 1.00 1.00 N ATOM 137 CA ILE A 966 63.902 -15.573 3.334 1.00 1.00 C ATOM 138 C ILE A 966 63.622 -14.289 4.124 1.00 1.00 C ATOM 139 O ILE A 966 63.748 -13.190 3.586 1.00 1.00 O ATOM 140 CB ILE A 966 62.577 -16.122 2.795 1.00 1.00 C ATOM 141 CG1 ILE A 966 62.858 -17.206 1.751 1.00 1.00 C ATOM 142 CG2 ILE A 966 61.784 -14.984 2.142 1.00 1.00 C ATOM 143 CD1 ILE A 966 61.562 -17.952 1.431 1.00 1.00 C ATOM 0 HA ILE A 966 64.581 -15.306 2.524 1.00 1.00 H new ATOM 0 HB ILE A 966 62.000 -16.548 3.616 1.00 1.00 H new ATOM 0 HG12 ILE A 966 63.265 -16.757 0.845 1.00 1.00 H new ATOM 0 HG13 ILE A 966 63.608 -17.902 2.126 1.00 1.00 H new ATOM 0 HG21 ILE A 966 60.841 -15.372 1.758 1.00 1.00 H new ATOM 0 HG22 ILE A 966 61.583 -14.209 2.882 1.00 1.00 H new ATOM 0 HG23 ILE A 966 62.364 -14.561 1.322 1.00 1.00 H new ATOM 0 HD11 ILE A 966 61.761 -18.724 0.688 1.00 1.00 H new ATOM 0 HD12 ILE A 966 61.174 -18.414 2.339 1.00 1.00 H new ATOM 0 HD13 ILE A 966 60.826 -17.251 1.038 1.00 1.00 H new ATOM 155 N TRP A 967 63.173 -14.425 5.371 1.00 1.00 N ATOM 156 CA TRP A 967 62.807 -13.247 6.161 1.00 1.00 C ATOM 157 C TRP A 967 63.925 -12.202 6.171 1.00 1.00 C ATOM 158 O TRP A 967 63.674 -11.022 5.930 1.00 1.00 O ATOM 159 CB TRP A 967 62.514 -13.638 7.611 1.00 1.00 C ATOM 160 CG TRP A 967 62.744 -15.099 7.809 1.00 1.00 C ATOM 161 CD1 TRP A 967 63.763 -15.616 8.531 1.00 1.00 C ATOM 162 CD2 TRP A 967 61.978 -16.233 7.306 1.00 1.00 C ATOM 163 NE1 TRP A 967 63.676 -16.993 8.506 1.00 1.00 N ATOM 164 CE2 TRP A 967 62.592 -17.424 7.765 1.00 1.00 C ATOM 165 CE3 TRP A 967 60.826 -16.345 6.507 1.00 1.00 C ATOM 166 CZ2 TRP A 967 62.080 -18.680 7.442 1.00 1.00 C ATOM 167 CZ3 TRP A 967 60.309 -17.610 6.180 1.00 1.00 C ATOM 168 CH2 TRP A 967 60.935 -18.774 6.648 1.00 1.00 C ATOM 0 H TRP A 967 63.055 -15.318 5.849 1.00 1.00 H new ATOM 0 HA TRP A 967 61.918 -12.823 5.694 1.00 1.00 H new ATOM 0 HB2 TRP A 967 63.153 -13.068 8.285 1.00 1.00 H new ATOM 0 HB3 TRP A 967 61.483 -13.388 7.861 1.00 1.00 H new ATOM 0 HD1 TRP A 967 64.522 -15.044 9.044 1.00 1.00 H new ATOM 0 HE1 TRP A 967 64.332 -17.617 8.977 1.00 1.00 H new ATOM 0 HE3 TRP A 967 60.336 -15.454 6.143 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 62.566 -19.574 7.803 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 59.425 -17.686 5.565 1.00 1.00 H new ATOM 0 HH2 TRP A 967 60.532 -19.743 6.394 1.00 1.00 H new ATOM 179 N TRP A 968 65.139 -12.620 6.516 1.00 1.00 N ATOM 180 CA TRP A 968 66.261 -11.683 6.624 1.00 1.00 C ATOM 181 C TRP A 968 66.500 -10.943 5.313 1.00 1.00 C ATOM 182 O TRP A 968 66.779 -9.744 5.332 1.00 1.00 O ATOM 183 CB TRP A 968 67.540 -12.420 7.014 1.00 1.00 C ATOM 184 CG TRP A 968 67.347 -13.077 8.340 1.00 1.00 C ATOM 185 CD1 TRP A 968 67.281 -14.407 8.518 1.00 1.00 C ATOM 186 CD2 TRP A 968 67.168 -12.478 9.657 1.00 1.00 C ATOM 187 NE1 TRP A 968 67.089 -14.678 9.856 1.00 1.00 N ATOM 188 CE2 TRP A 968 67.010 -13.521 10.602 1.00 1.00 C ATOM 189 CE3 TRP A 968 67.131 -11.151 10.125 1.00 1.00 C ATOM 190 CZ2 TRP A 968 66.823 -13.259 11.958 1.00 1.00 C ATOM 191 CZ3 TRP A 968 66.943 -10.884 11.491 1.00 1.00 C ATOM 192 CH2 TRP A 968 66.789 -11.937 12.405 1.00 1.00 C ATOM 0 H TRP A 968 65.374 -13.591 6.724 1.00 1.00 H new ATOM 0 HA TRP A 968 66.000 -10.959 7.396 1.00 1.00 H new ATOM 0 HB2 TRP A 968 67.788 -13.166 6.259 1.00 1.00 H new ATOM 0 HB3 TRP A 968 68.376 -11.722 7.060 1.00 1.00 H new ATOM 0 HD1 TRP A 968 67.365 -15.147 7.736 1.00 1.00 H new ATOM 0 HE1 TRP A 968 67.015 -15.618 10.246 1.00 1.00 H new ATOM 0 HE3 TRP A 968 67.248 -10.333 9.429 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 66.705 -14.073 12.658 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 66.917 -9.862 11.840 1.00 1.00 H new ATOM 0 HH2 TRP A 968 66.644 -11.725 13.454 1.00 1.00 H new ATOM 203 N VAL A 969 66.360 -11.623 4.180 1.00 1.00 N ATOM 204 CA VAL A 969 66.540 -10.954 2.896 1.00 1.00 C ATOM 205 C VAL A 969 65.457 -9.891 2.739 1.00 1.00 C ATOM 206 O VAL A 969 65.719 -8.758 2.334 1.00 1.00 O ATOM 207 CB VAL A 969 66.439 -11.965 1.752 1.00 1.00 C ATOM 208 CG1 VAL A 969 66.435 -11.221 0.415 1.00 1.00 C ATOM 209 CG2 VAL A 969 67.641 -12.913 1.797 1.00 1.00 C ATOM 0 H VAL A 969 66.128 -12.615 4.123 1.00 1.00 H new ATOM 0 HA VAL A 969 67.526 -10.491 2.864 1.00 1.00 H new ATOM 0 HB VAL A 969 65.518 -12.538 1.857 1.00 1.00 H new ATOM 0 HG11 VAL A 969 66.363 -11.940 -0.401 1.00 1.00 H new ATOM 0 HG12 VAL A 969 65.582 -10.544 0.378 1.00 1.00 H new ATOM 0 HG13 VAL A 969 67.357 -10.649 0.314 1.00 1.00 H new ATOM 0 HG21 VAL A 969 67.568 -13.633 0.982 1.00 1.00 H new ATOM 0 HG22 VAL A 969 68.561 -12.339 1.692 1.00 1.00 H new ATOM 0 HG23 VAL A 969 67.651 -13.443 2.749 1.00 1.00 H new ATOM 219 N LEU A 970 64.237 -10.293 3.074 1.00 1.00 N ATOM 220 CA LEU A 970 63.086 -9.401 2.982 1.00 1.00 C ATOM 221 C LEU A 970 63.260 -8.209 3.920 1.00 1.00 C ATOM 222 O LEU A 970 62.965 -7.076 3.551 1.00 1.00 O ATOM 223 CB LEU A 970 61.800 -10.166 3.340 1.00 1.00 C ATOM 224 CG LEU A 970 60.579 -9.241 3.252 1.00 1.00 C ATOM 225 CD1 LEU A 970 60.468 -8.653 1.840 1.00 1.00 C ATOM 226 CD2 LEU A 970 59.314 -10.043 3.568 1.00 1.00 C ATOM 0 H LEU A 970 64.018 -11.230 3.412 1.00 1.00 H new ATOM 0 HA LEU A 970 63.011 -9.033 1.959 1.00 1.00 H new ATOM 0 HB2 LEU A 970 61.673 -11.011 2.663 1.00 1.00 H new ATOM 0 HB3 LEU A 970 61.882 -10.574 4.347 1.00 1.00 H new ATOM 0 HG LEU A 970 60.692 -8.429 3.970 1.00 1.00 H new ATOM 0 HD11 LEU A 970 59.599 -7.998 1.786 1.00 1.00 H new ATOM 0 HD12 LEU A 970 61.368 -8.082 1.612 1.00 1.00 H new ATOM 0 HD13 LEU A 970 60.358 -9.461 1.117 1.00 1.00 H new ATOM 0 HD21 LEU A 970 58.444 -9.389 3.507 1.00 1.00 H new ATOM 0 HD22 LEU A 970 59.209 -10.855 2.849 1.00 1.00 H new ATOM 0 HD23 LEU A 970 59.387 -10.456 4.574 1.00 1.00 H new ATOM 238 N VAL A 971 63.732 -8.468 5.133 1.00 1.00 N ATOM 239 CA VAL A 971 63.929 -7.408 6.120 1.00 1.00 C ATOM 240 C VAL A 971 64.970 -6.393 5.642 1.00 1.00 C ATOM 241 O VAL A 971 64.769 -5.184 5.771 1.00 1.00 O ATOM 242 CB VAL A 971 64.376 -8.015 7.452 1.00 1.00 C ATOM 243 CG1 VAL A 971 64.754 -6.895 8.425 1.00 1.00 C ATOM 244 CG2 VAL A 971 63.230 -8.840 8.047 1.00 1.00 C ATOM 0 H VAL A 971 63.986 -9.401 5.459 1.00 1.00 H new ATOM 0 HA VAL A 971 62.980 -6.888 6.253 1.00 1.00 H new ATOM 0 HB VAL A 971 65.240 -8.658 7.285 1.00 1.00 H new ATOM 0 HG11 VAL A 971 65.072 -7.329 9.373 1.00 1.00 H new ATOM 0 HG12 VAL A 971 65.569 -6.307 8.004 1.00 1.00 H new ATOM 0 HG13 VAL A 971 63.890 -6.251 8.592 1.00 1.00 H new ATOM 0 HG21 VAL A 971 63.548 -9.273 8.996 1.00 1.00 H new ATOM 0 HG22 VAL A 971 62.366 -8.196 8.213 1.00 1.00 H new ATOM 0 HG23 VAL A 971 62.960 -9.639 7.356 1.00 1.00 H new ATOM 254 N GLY A 972 66.081 -6.888 5.104 1.00 1.00 N ATOM 255 CA GLY A 972 67.139 -5.998 4.630 1.00 1.00 C ATOM 256 C GLY A 972 66.627 -5.069 3.532 1.00 1.00 C ATOM 257 O GLY A 972 67.009 -3.905 3.464 1.00 1.00 O ATOM 0 H GLY A 972 66.272 -7.883 4.986 1.00 1.00 H new ATOM 0 HA2 GLY A 972 67.520 -5.406 5.462 1.00 1.00 H new ATOM 0 HA3 GLY A 972 67.973 -6.589 4.251 1.00 1.00 H new ATOM 261 N VAL A 973 65.763 -5.592 2.673 1.00 1.00 N ATOM 262 CA VAL A 973 65.213 -4.797 1.577 1.00 1.00 C ATOM 263 C VAL A 973 64.413 -3.610 2.117 1.00 1.00 C ATOM 264 O VAL A 973 64.565 -2.487 1.635 1.00 1.00 O ATOM 265 CB VAL A 973 64.305 -5.666 0.702 1.00 1.00 C ATOM 266 CG1 VAL A 973 63.570 -4.787 -0.312 1.00 1.00 C ATOM 267 CG2 VAL A 973 65.148 -6.702 -0.046 1.00 1.00 C ATOM 0 H VAL A 973 65.428 -6.555 2.710 1.00 1.00 H new ATOM 0 HA VAL A 973 66.043 -4.420 0.980 1.00 1.00 H new ATOM 0 HB VAL A 973 63.579 -6.175 1.337 1.00 1.00 H new ATOM 0 HG11 VAL A 973 62.925 -5.409 -0.933 1.00 1.00 H new ATOM 0 HG12 VAL A 973 62.965 -4.050 0.216 1.00 1.00 H new ATOM 0 HG13 VAL A 973 64.296 -4.274 -0.943 1.00 1.00 H new ATOM 0 HG21 VAL A 973 64.499 -7.319 -0.668 1.00 1.00 H new ATOM 0 HG22 VAL A 973 65.876 -6.192 -0.676 1.00 1.00 H new ATOM 0 HG23 VAL A 973 65.670 -7.334 0.673 1.00 1.00 H new ATOM 277 N LEU A 974 63.570 -3.854 3.111 1.00 1.00 N ATOM 278 CA LEU A 974 62.761 -2.780 3.687 1.00 1.00 C ATOM 279 C LEU A 974 63.625 -1.700 4.336 1.00 1.00 C ATOM 280 O LEU A 974 63.354 -0.509 4.192 1.00 1.00 O ATOM 281 CB LEU A 974 61.774 -3.335 4.728 1.00 1.00 C ATOM 282 CG LEU A 974 60.484 -3.853 4.059 1.00 1.00 C ATOM 283 CD1 LEU A 974 59.581 -2.670 3.689 1.00 1.00 C ATOM 284 CD2 LEU A 974 60.802 -4.664 2.796 1.00 1.00 C ATOM 0 H LEU A 974 63.427 -4.772 3.533 1.00 1.00 H new ATOM 0 HA LEU A 974 62.207 -2.329 2.864 1.00 1.00 H new ATOM 0 HB2 LEU A 974 62.247 -4.144 5.285 1.00 1.00 H new ATOM 0 HB3 LEU A 974 61.525 -2.555 5.448 1.00 1.00 H new ATOM 0 HG LEU A 974 59.973 -4.504 4.768 1.00 1.00 H new ATOM 0 HD11 LEU A 974 58.671 -3.041 3.217 1.00 1.00 H new ATOM 0 HD12 LEU A 974 59.322 -2.114 4.590 1.00 1.00 H new ATOM 0 HD13 LEU A 974 60.107 -2.013 2.997 1.00 1.00 H new ATOM 0 HD21 LEU A 974 59.874 -5.016 2.346 1.00 1.00 H new ATOM 0 HD22 LEU A 974 61.334 -4.034 2.083 1.00 1.00 H new ATOM 0 HD23 LEU A 974 61.424 -5.519 3.060 1.00 1.00 H new ATOM 296 N GLY A 975 64.661 -2.125 5.056 1.00 1.00 N ATOM 297 CA GLY A 975 65.546 -1.175 5.726 1.00 1.00 C ATOM 298 C GLY A 975 66.311 -0.325 4.718 1.00 1.00 C ATOM 299 O GLY A 975 66.423 0.890 4.878 1.00 1.00 O ATOM 0 H GLY A 975 64.906 -3.106 5.190 1.00 1.00 H new ATOM 0 HA2 GLY A 975 64.961 -0.529 6.380 1.00 1.00 H new ATOM 0 HA3 GLY A 975 66.251 -1.715 6.359 1.00 1.00 H new ATOM 303 N GLY A 976 66.824 -0.964 3.674 1.00 1.00 N ATOM 304 CA GLY A 976 67.558 -0.230 2.654 1.00 1.00 C ATOM 305 C GLY A 976 66.646 0.786 1.959 1.00 1.00 C ATOM 306 O GLY A 976 67.046 1.920 1.726 1.00 1.00 O ATOM 0 H GLY A 976 66.748 -1.968 3.513 1.00 1.00 H new ATOM 0 HA2 GLY A 976 68.405 0.284 3.107 1.00 1.00 H new ATOM 0 HA3 GLY A 976 67.963 -0.925 1.919 1.00 1.00 H new ATOM 310 N LEU A 977 65.418 0.379 1.646 1.00 1.00 N ATOM 311 CA LEU A 977 64.458 1.281 0.989 1.00 1.00 C ATOM 312 C LEU A 977 64.098 2.478 1.889 1.00 1.00 C ATOM 313 O LEU A 977 64.009 3.608 1.411 1.00 1.00 O ATOM 314 CB LEU A 977 63.187 0.497 0.627 1.00 1.00 C ATOM 315 CG LEU A 977 62.154 1.416 -0.044 1.00 1.00 C ATOM 316 CD1 LEU A 977 62.761 2.078 -1.282 1.00 1.00 C ATOM 317 CD2 LEU A 977 60.945 0.581 -0.473 1.00 1.00 C ATOM 0 H LEU A 977 65.061 -0.558 1.832 1.00 1.00 H new ATOM 0 HA LEU A 977 64.923 1.674 0.085 1.00 1.00 H new ATOM 0 HB2 LEU A 977 63.439 -0.325 -0.043 1.00 1.00 H new ATOM 0 HB3 LEU A 977 62.758 0.055 1.526 1.00 1.00 H new ATOM 0 HG LEU A 977 61.851 2.187 0.665 1.00 1.00 H new ATOM 0 HD11 LEU A 977 62.019 2.726 -1.748 1.00 1.00 H new ATOM 0 HD12 LEU A 977 63.628 2.670 -0.990 1.00 1.00 H new ATOM 0 HD13 LEU A 977 63.069 1.310 -1.991 1.00 1.00 H new ATOM 0 HD21 LEU A 977 60.208 1.227 -0.950 1.00 1.00 H new ATOM 0 HD22 LEU A 977 61.265 -0.187 -1.177 1.00 1.00 H new ATOM 0 HD23 LEU A 977 60.501 0.108 0.403 1.00 1.00 H new ATOM 329 N LEU A 978 63.873 2.231 3.176 1.00 1.00 N ATOM 330 CA LEU A 978 63.505 3.322 4.092 1.00 1.00 C ATOM 331 C LEU A 978 64.627 4.361 4.182 1.00 1.00 C ATOM 332 O LEU A 978 64.367 5.566 4.179 1.00 1.00 O ATOM 333 CB LEU A 978 63.214 2.753 5.491 1.00 1.00 C ATOM 334 CG LEU A 978 62.840 3.882 6.465 1.00 1.00 C ATOM 335 CD1 LEU A 978 61.622 4.644 5.937 1.00 1.00 C ATOM 336 CD2 LEU A 978 62.508 3.283 7.835 1.00 1.00 C ATOM 0 H LEU A 978 63.935 1.309 3.608 1.00 1.00 H new ATOM 0 HA LEU A 978 62.611 3.810 3.703 1.00 1.00 H new ATOM 0 HB2 LEU A 978 62.400 2.030 5.434 1.00 1.00 H new ATOM 0 HB3 LEU A 978 64.089 2.220 5.862 1.00 1.00 H new ATOM 0 HG LEU A 978 63.681 4.569 6.557 1.00 1.00 H new ATOM 0 HD11 LEU A 978 61.363 5.442 6.632 1.00 1.00 H new ATOM 0 HD12 LEU A 978 61.856 5.073 4.963 1.00 1.00 H new ATOM 0 HD13 LEU A 978 60.779 3.960 5.840 1.00 1.00 H new ATOM 0 HD21 LEU A 978 62.243 4.082 8.527 1.00 1.00 H new ATOM 0 HD22 LEU A 978 61.669 2.594 7.737 1.00 1.00 H new ATOM 0 HD23 LEU A 978 63.376 2.746 8.217 1.00 1.00 H new ATOM 348 N LEU A 979 65.858 3.895 4.266 1.00 1.00 N ATOM 349 CA LEU A 979 66.979 4.828 4.362 1.00 1.00 C ATOM 350 C LEU A 979 67.037 5.706 3.105 1.00 1.00 C ATOM 351 O LEU A 979 67.287 6.910 3.197 1.00 1.00 O ATOM 352 CB LEU A 979 68.294 4.054 4.521 1.00 1.00 C ATOM 353 CG LEU A 979 68.326 3.375 5.899 1.00 1.00 C ATOM 354 CD1 LEU A 979 69.526 2.428 5.981 1.00 1.00 C ATOM 355 CD2 LEU A 979 68.431 4.427 7.011 1.00 1.00 C ATOM 0 H LEU A 979 66.110 2.907 4.270 1.00 1.00 H new ATOM 0 HA LEU A 979 66.836 5.465 5.235 1.00 1.00 H new ATOM 0 HB2 LEU A 979 68.386 3.306 3.733 1.00 1.00 H new ATOM 0 HB3 LEU A 979 69.142 4.731 4.418 1.00 1.00 H new ATOM 0 HG LEU A 979 67.403 2.810 6.031 1.00 1.00 H new ATOM 0 HD11 LEU A 979 69.545 1.949 6.960 1.00 1.00 H new ATOM 0 HD12 LEU A 979 69.442 1.667 5.206 1.00 1.00 H new ATOM 0 HD13 LEU A 979 70.446 2.994 5.836 1.00 1.00 H new ATOM 0 HD21 LEU A 979 68.453 3.930 7.981 1.00 1.00 H new ATOM 0 HD22 LEU A 979 69.345 5.006 6.879 1.00 1.00 H new ATOM 0 HD23 LEU A 979 67.570 5.094 6.964 1.00 1.00 H new ATOM 367 N LEU A 980 66.813 5.110 1.942 1.00 1.00 N ATOM 368 CA LEU A 980 66.850 5.866 0.685 1.00 1.00 C ATOM 369 C LEU A 980 65.773 6.939 0.647 1.00 1.00 C ATOM 370 O LEU A 980 66.019 8.047 0.177 1.00 1.00 O ATOM 371 CB LEU A 980 66.691 4.942 -0.535 1.00 1.00 C ATOM 372 CG LEU A 980 68.041 4.329 -0.957 1.00 1.00 C ATOM 373 CD1 LEU A 980 68.806 5.319 -1.846 1.00 1.00 C ATOM 374 CD2 LEU A 980 68.899 3.998 0.264 1.00 1.00 C ATOM 0 H LEU A 980 66.605 4.117 1.836 1.00 1.00 H new ATOM 0 HA LEU A 980 67.828 6.345 0.640 1.00 1.00 H new ATOM 0 HB2 LEU A 980 65.986 4.145 -0.300 1.00 1.00 H new ATOM 0 HB3 LEU A 980 66.270 5.505 -1.367 1.00 1.00 H new ATOM 0 HG LEU A 980 67.836 3.410 -1.506 1.00 1.00 H new ATOM 0 HD11 LEU A 980 69.759 4.881 -2.142 1.00 1.00 H new ATOM 0 HD12 LEU A 980 68.217 5.539 -2.736 1.00 1.00 H new ATOM 0 HD13 LEU A 980 68.986 6.241 -1.293 1.00 1.00 H new ATOM 0 HD21 LEU A 980 69.845 3.567 -0.062 1.00 1.00 H new ATOM 0 HD22 LEU A 980 69.091 4.909 0.831 1.00 1.00 H new ATOM 0 HD23 LEU A 980 68.373 3.282 0.895 1.00 1.00 H new ATOM 386 N THR A 981 64.585 6.607 1.125 1.00 1.00 N ATOM 387 CA THR A 981 63.490 7.571 1.122 1.00 1.00 C ATOM 388 C THR A 981 63.852 8.798 1.953 1.00 1.00 C ATOM 389 O THR A 981 63.608 9.931 1.542 1.00 1.00 O ATOM 390 CB THR A 981 62.228 6.924 1.686 1.00 1.00 C ATOM 391 OG1 THR A 981 62.012 5.670 1.055 1.00 1.00 O ATOM 392 CG2 THR A 981 61.032 7.837 1.438 1.00 1.00 C ATOM 0 H THR A 981 64.353 5.693 1.515 1.00 1.00 H new ATOM 0 HA THR A 981 63.309 7.886 0.094 1.00 1.00 H new ATOM 0 HB THR A 981 62.348 6.771 2.758 1.00 1.00 H new ATOM 0 HG1 THR A 981 62.671 5.022 1.381 1.00 1.00 H new ATOM 0 HG21 THR A 981 60.131 7.374 1.841 1.00 1.00 H new ATOM 0 HG22 THR A 981 61.198 8.796 1.929 1.00 1.00 H new ATOM 0 HG23 THR A 981 60.911 7.995 0.366 1.00 1.00 H new ATOM 400 N ILE A 982 64.399 8.573 3.134 1.00 1.00 N ATOM 401 CA ILE A 982 64.755 9.687 4.001 1.00 1.00 C ATOM 402 C ILE A 982 65.845 10.565 3.375 1.00 1.00 C ATOM 403 O ILE A 982 65.758 11.791 3.424 1.00 1.00 O ATOM 404 CB ILE A 982 65.241 9.156 5.351 1.00 1.00 C ATOM 405 CG1 ILE A 982 64.069 8.504 6.095 1.00 1.00 C ATOM 406 CG2 ILE A 982 65.795 10.314 6.183 1.00 1.00 C ATOM 407 CD1 ILE A 982 64.599 7.727 7.301 1.00 1.00 C ATOM 0 H ILE A 982 64.604 7.648 3.512 1.00 1.00 H new ATOM 0 HA ILE A 982 63.864 10.300 4.139 1.00 1.00 H new ATOM 0 HB ILE A 982 66.025 8.416 5.191 1.00 1.00 H new ATOM 0 HG12 ILE A 982 63.363 9.267 6.422 1.00 1.00 H new ATOM 0 HG13 ILE A 982 63.528 7.834 5.427 1.00 1.00 H new ATOM 0 HG21 ILE A 982 66.142 9.937 7.145 1.00 1.00 H new ATOM 0 HG22 ILE A 982 66.628 10.777 5.653 1.00 1.00 H new ATOM 0 HG23 ILE A 982 65.011 11.054 6.344 1.00 1.00 H new ATOM 0 HD11 ILE A 982 63.766 7.264 7.830 1.00 1.00 H new ATOM 0 HD12 ILE A 982 65.288 6.954 6.961 1.00 1.00 H new ATOM 0 HD13 ILE A 982 65.121 8.409 7.972 1.00 1.00 H new ATOM 419 N LEU A 983 66.871 9.939 2.799 1.00 1.00 N ATOM 420 CA LEU A 983 67.969 10.697 2.189 1.00 1.00 C ATOM 421 C LEU A 983 67.510 11.540 0.993 1.00 1.00 C ATOM 422 O LEU A 983 67.915 12.696 0.867 1.00 1.00 O ATOM 423 CB LEU A 983 69.065 9.730 1.729 1.00 1.00 C ATOM 424 CG LEU A 983 69.751 9.106 2.949 1.00 1.00 C ATOM 425 CD1 LEU A 983 70.687 7.987 2.490 1.00 1.00 C ATOM 426 CD2 LEU A 983 70.562 10.167 3.708 1.00 1.00 C ATOM 0 H LEU A 983 66.967 8.925 2.741 1.00 1.00 H new ATOM 0 HA LEU A 983 68.349 11.381 2.948 1.00 1.00 H new ATOM 0 HB2 LEU A 983 68.634 8.949 1.103 1.00 1.00 H new ATOM 0 HB3 LEU A 983 69.797 10.259 1.119 1.00 1.00 H new ATOM 0 HG LEU A 983 68.987 8.702 3.613 1.00 1.00 H new ATOM 0 HD11 LEU A 983 71.175 7.543 3.357 1.00 1.00 H new ATOM 0 HD12 LEU A 983 70.112 7.223 1.966 1.00 1.00 H new ATOM 0 HD13 LEU A 983 71.442 8.396 1.819 1.00 1.00 H new ATOM 0 HD21 LEU A 983 71.043 9.708 4.572 1.00 1.00 H new ATOM 0 HD22 LEU A 983 71.323 10.584 3.048 1.00 1.00 H new ATOM 0 HD23 LEU A 983 69.897 10.962 4.043 1.00 1.00 H new ATOM 438 N VAL A 984 66.692 10.978 0.107 1.00 1.00 N ATOM 439 CA VAL A 984 66.250 11.742 -1.065 1.00 1.00 C ATOM 440 C VAL A 984 65.387 12.928 -0.651 1.00 1.00 C ATOM 441 O VAL A 984 65.520 14.020 -1.206 1.00 1.00 O ATOM 442 CB VAL A 984 65.495 10.856 -2.064 1.00 1.00 C ATOM 443 CG1 VAL A 984 66.406 9.720 -2.533 1.00 1.00 C ATOM 444 CG2 VAL A 984 64.260 10.263 -1.401 1.00 1.00 C ATOM 0 H VAL A 984 66.329 10.027 0.169 1.00 1.00 H new ATOM 0 HA VAL A 984 67.144 12.120 -1.560 1.00 1.00 H new ATOM 0 HB VAL A 984 65.193 11.463 -2.918 1.00 1.00 H new ATOM 0 HG11 VAL A 984 65.868 9.092 -3.243 1.00 1.00 H new ATOM 0 HG12 VAL A 984 67.290 10.138 -3.016 1.00 1.00 H new ATOM 0 HG13 VAL A 984 66.710 9.120 -1.675 1.00 1.00 H new ATOM 0 HG21 VAL A 984 63.729 9.635 -2.116 1.00 1.00 H new ATOM 0 HG22 VAL A 984 64.561 9.661 -0.543 1.00 1.00 H new ATOM 0 HG23 VAL A 984 63.604 11.067 -1.068 1.00 1.00 H new ATOM 454 N LEU A 985 64.511 12.720 0.326 1.00 1.00 N ATOM 455 CA LEU A 985 63.653 13.799 0.799 1.00 1.00 C ATOM 456 C LEU A 985 64.508 14.910 1.397 1.00 1.00 C ATOM 457 O LEU A 985 64.242 16.091 1.174 1.00 1.00 O ATOM 458 CB LEU A 985 62.679 13.277 1.862 1.00 1.00 C ATOM 459 CG LEU A 985 61.649 12.344 1.216 1.00 1.00 C ATOM 460 CD1 LEU A 985 60.816 11.672 2.310 1.00 1.00 C ATOM 461 CD2 LEU A 985 60.725 13.137 0.282 1.00 1.00 C ATOM 0 H LEU A 985 64.377 11.827 0.800 1.00 1.00 H new ATOM 0 HA LEU A 985 63.083 14.189 -0.044 1.00 1.00 H new ATOM 0 HB2 LEU A 985 63.227 12.745 2.639 1.00 1.00 H new ATOM 0 HB3 LEU A 985 62.173 14.113 2.345 1.00 1.00 H new ATOM 0 HG LEU A 985 62.173 11.586 0.633 1.00 1.00 H new ATOM 0 HD11 LEU A 985 60.083 11.008 1.853 1.00 1.00 H new ATOM 0 HD12 LEU A 985 61.471 11.095 2.963 1.00 1.00 H new ATOM 0 HD13 LEU A 985 60.301 12.434 2.895 1.00 1.00 H new ATOM 0 HD21 LEU A 985 59.998 12.462 -0.170 1.00 1.00 H new ATOM 0 HD22 LEU A 985 60.202 13.904 0.853 1.00 1.00 H new ATOM 0 HD23 LEU A 985 61.318 13.609 -0.501 1.00 1.00 H new ATOM 473 N ALA A 986 65.522 14.536 2.168 1.00 1.00 N ATOM 474 CA ALA A 986 66.380 15.538 2.796 1.00 1.00 C ATOM 475 C ALA A 986 67.116 16.383 1.750 1.00 1.00 C ATOM 476 O ALA A 986 67.232 17.599 1.892 1.00 1.00 O ATOM 477 CB ALA A 986 67.405 14.850 3.701 1.00 1.00 C ATOM 0 H ALA A 986 65.769 13.568 2.372 1.00 1.00 H new ATOM 0 HA ALA A 986 65.744 16.199 3.385 1.00 1.00 H new ATOM 0 HB1 ALA A 986 68.042 15.602 4.167 1.00 1.00 H new ATOM 0 HB2 ALA A 986 66.886 14.285 4.475 1.00 1.00 H new ATOM 0 HB3 ALA A 986 68.018 14.173 3.107 1.00 1.00 H new ATOM 483 N MET A 987 67.613 15.724 0.704 1.00 1.00 N ATOM 484 CA MET A 987 68.344 16.423 -0.356 1.00 1.00 C ATOM 485 C MET A 987 67.428 17.382 -1.119 1.00 1.00 C ATOM 486 O MET A 987 67.807 18.512 -1.427 1.00 1.00 O ATOM 487 CB MET A 987 68.959 15.408 -1.323 1.00 1.00 C ATOM 488 CG MET A 987 70.166 14.742 -0.656 1.00 1.00 C ATOM 489 SD MET A 987 70.861 13.477 -1.756 1.00 1.00 S ATOM 490 CE MET A 987 71.568 14.587 -3.001 1.00 1.00 C ATOM 0 H MET A 987 67.525 14.717 0.567 1.00 1.00 H new ATOM 0 HA MET A 987 69.138 17.008 0.108 1.00 1.00 H new ATOM 0 HB2 MET A 987 68.220 14.656 -1.598 1.00 1.00 H new ATOM 0 HB3 MET A 987 69.266 15.905 -2.244 1.00 1.00 H new ATOM 0 HG2 MET A 987 70.924 15.491 -0.425 1.00 1.00 H new ATOM 0 HG3 MET A 987 69.866 14.289 0.289 1.00 1.00 H new ATOM 0 HE1 MET A 987 72.036 13.998 -3.790 1.00 1.00 H new ATOM 0 HE2 MET A 987 70.778 15.204 -3.429 1.00 1.00 H new ATOM 0 HE3 MET A 987 72.316 15.227 -2.534 1.00 1.00 H new ATOM 500 N TRP A 988 66.216 16.920 -1.404 1.00 1.00 N ATOM 501 CA TRP A 988 65.236 17.737 -2.118 1.00 1.00 C ATOM 502 C TRP A 988 64.866 18.954 -1.274 1.00 1.00 C ATOM 503 O TRP A 988 64.743 20.061 -1.796 1.00 1.00 O ATOM 504 CB TRP A 988 63.991 16.884 -2.393 1.00 1.00 C ATOM 505 CG TRP A 988 62.848 17.740 -2.845 1.00 1.00 C ATOM 506 CD1 TRP A 988 62.957 18.890 -3.549 1.00 1.00 C ATOM 507 CD2 TRP A 988 61.421 17.524 -2.636 1.00 1.00 C ATOM 508 NE1 TRP A 988 61.687 19.389 -3.787 1.00 1.00 N ATOM 509 CE2 TRP A 988 60.708 18.583 -3.243 1.00 1.00 C ATOM 510 CE3 TRP A 988 60.682 16.517 -1.983 1.00 1.00 C ATOM 511 CZ2 TRP A 988 59.314 18.645 -3.205 1.00 1.00 C ATOM 512 CZ3 TRP A 988 59.279 16.576 -1.943 1.00 1.00 C ATOM 513 CH2 TRP A 988 58.596 17.638 -2.553 1.00 1.00 C ATOM 0 H TRP A 988 65.887 15.988 -1.154 1.00 1.00 H new ATOM 0 HA TRP A 988 65.656 18.085 -3.062 1.00 1.00 H new ATOM 0 HB2 TRP A 988 64.217 16.139 -3.156 1.00 1.00 H new ATOM 0 HB3 TRP A 988 63.710 16.341 -1.490 1.00 1.00 H new ATOM 0 HD1 TRP A 988 63.882 19.344 -3.872 1.00 1.00 H new ATOM 0 HE1 TRP A 988 61.498 20.249 -4.302 1.00 1.00 H new ATOM 0 HE3 TRP A 988 61.198 15.694 -1.510 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 58.793 19.466 -3.676 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 58.723 15.799 -1.439 1.00 1.00 H new ATOM 0 HH2 TRP A 988 57.517 17.678 -2.519 1.00 1.00 H new ATOM 524 N LYS A 989 64.674 18.758 0.018 1.00 1.00 N ATOM 525 CA LYS A 989 64.296 19.860 0.897 1.00 1.00 C ATOM 526 C LYS A 989 65.387 20.927 0.949 1.00 1.00 C ATOM 527 O LYS A 989 65.105 22.116 1.092 1.00 1.00 O ATOM 528 CB LYS A 989 64.036 19.328 2.309 1.00 1.00 C ATOM 529 CG LYS A 989 63.501 20.456 3.195 1.00 1.00 C ATOM 530 CD LYS A 989 63.186 19.905 4.586 1.00 1.00 C ATOM 531 CE LYS A 989 62.637 21.028 5.465 1.00 1.00 C ATOM 532 NZ LYS A 989 62.307 20.486 6.814 1.00 1.00 N ATOM 0 H LYS A 989 64.771 17.855 0.483 1.00 1.00 H new ATOM 0 HA LYS A 989 63.390 20.315 0.498 1.00 1.00 H new ATOM 0 HB2 LYS A 989 63.318 18.509 2.273 1.00 1.00 H new ATOM 0 HB3 LYS A 989 64.957 18.926 2.732 1.00 1.00 H new ATOM 0 HG2 LYS A 989 64.237 21.257 3.267 1.00 1.00 H new ATOM 0 HG3 LYS A 989 62.604 20.887 2.751 1.00 1.00 H new ATOM 0 HD2 LYS A 989 62.458 19.097 4.513 1.00 1.00 H new ATOM 0 HD3 LYS A 989 64.086 19.484 5.035 1.00 1.00 H new ATOM 0 HE2 LYS A 989 63.372 21.828 5.553 1.00 1.00 H new ATOM 0 HE3 LYS A 989 61.747 21.461 5.007 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 61.933 21.250 7.413 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 61.592 19.737 6.722 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 63.166 20.093 7.250 1.00 1.00 H new ATOM 546 N VAL A 990 66.632 20.483 0.847 1.00 1.00 N ATOM 547 CA VAL A 990 67.758 21.402 0.898 1.00 1.00 C ATOM 548 C VAL A 990 67.890 22.110 -0.428 1.00 1.00 C ATOM 549 O VAL A 990 68.769 22.951 -0.614 1.00 1.00 O ATOM 550 CB VAL A 990 69.048 20.642 1.211 1.00 1.00 C ATOM 551 CG1 VAL A 990 70.217 21.625 1.295 1.00 1.00 C ATOM 552 CG2 VAL A 990 68.894 19.920 2.551 1.00 1.00 C ATOM 0 H VAL A 990 66.886 19.502 0.730 1.00 1.00 H new ATOM 0 HA VAL A 990 67.584 22.135 1.686 1.00 1.00 H new ATOM 0 HB VAL A 990 69.243 19.916 0.422 1.00 1.00 H new ATOM 0 HG11 VAL A 990 71.135 21.081 1.518 1.00 1.00 H new ATOM 0 HG12 VAL A 990 70.325 22.144 0.343 1.00 1.00 H new ATOM 0 HG13 VAL A 990 70.025 22.352 2.084 1.00 1.00 H new ATOM 0 HG21 VAL A 990 69.811 19.377 2.779 1.00 1.00 H new ATOM 0 HG22 VAL A 990 68.700 20.650 3.337 1.00 1.00 H new ATOM 0 HG23 VAL A 990 68.062 19.219 2.493 1.00 1.00 H new ATOM 562 N GLY A 991 67.006 21.773 -1.348 1.00 1.00 N ATOM 563 CA GLY A 991 67.020 22.383 -2.651 1.00 1.00 C ATOM 564 C GLY A 991 68.223 21.894 -3.420 1.00 1.00 C ATOM 565 O GLY A 991 68.553 22.443 -4.472 1.00 1.00 O ATOM 0 H GLY A 991 66.271 21.079 -1.211 1.00 1.00 H new ATOM 0 HA2 GLY A 991 66.105 22.137 -3.190 1.00 1.00 H new ATOM 0 HA3 GLY A 991 67.052 23.468 -2.556 1.00 1.00 H new ATOM 569 N PHE A 992 68.907 20.886 -2.897 1.00 1.00 N ATOM 570 CA PHE A 992 70.094 20.373 -3.551 1.00 1.00 C ATOM 571 C PHE A 992 69.729 20.061 -4.997 1.00 1.00 C ATOM 572 O PHE A 992 70.440 20.424 -5.934 1.00 1.00 O ATOM 573 CB PHE A 992 70.539 19.090 -2.829 1.00 1.00 C ATOM 574 CG PHE A 992 72.035 18.829 -2.962 1.00 1.00 C ATOM 575 CD1 PHE A 992 72.777 19.280 -4.065 1.00 1.00 C ATOM 576 CD2 PHE A 992 72.681 18.111 -1.945 1.00 1.00 C ATOM 577 CE1 PHE A 992 74.152 19.011 -4.144 1.00 1.00 C ATOM 578 CE2 PHE A 992 74.051 17.845 -2.025 1.00 1.00 C ATOM 579 CZ PHE A 992 74.787 18.295 -3.125 1.00 1.00 C ATOM 0 H PHE A 992 68.660 20.413 -2.028 1.00 1.00 H new ATOM 0 HA PHE A 992 70.908 21.098 -3.521 1.00 1.00 H new ATOM 0 HB2 PHE A 992 70.280 19.164 -1.773 1.00 1.00 H new ATOM 0 HB3 PHE A 992 69.989 18.241 -3.234 1.00 1.00 H new ATOM 0 HD1 PHE A 992 72.289 19.834 -4.853 1.00 1.00 H new ATOM 0 HD2 PHE A 992 72.116 17.761 -1.094 1.00 1.00 H new ATOM 0 HE1 PHE A 992 74.721 19.358 -4.994 1.00 1.00 H new ATOM 0 HE2 PHE A 992 74.541 17.292 -1.237 1.00 1.00 H new ATOM 0 HZ PHE A 992 75.845 18.090 -3.188 1.00 1.00 H new ATOM 589 N PHE A 993 68.576 19.428 -5.176 1.00 1.00 N ATOM 590 CA PHE A 993 68.112 19.120 -6.522 1.00 1.00 C ATOM 591 C PHE A 993 67.404 20.331 -7.133 1.00 1.00 C ATOM 592 O PHE A 993 67.085 20.342 -8.321 1.00 1.00 O ATOM 593 CB PHE A 993 67.150 17.932 -6.503 1.00 1.00 C ATOM 594 CG PHE A 993 67.919 16.656 -6.245 1.00 1.00 C ATOM 595 CD1 PHE A 993 68.798 16.157 -7.216 1.00 1.00 C ATOM 596 CD2 PHE A 993 67.746 15.965 -5.039 1.00 1.00 C ATOM 597 CE1 PHE A 993 69.504 14.971 -6.980 1.00 1.00 C ATOM 598 CE2 PHE A 993 68.452 14.780 -4.804 1.00 1.00 C ATOM 599 CZ PHE A 993 69.332 14.284 -5.773 1.00 1.00 C ATOM 0 H PHE A 993 67.957 19.124 -4.424 1.00 1.00 H new ATOM 0 HA PHE A 993 68.983 18.866 -7.127 1.00 1.00 H new ATOM 0 HB2 PHE A 993 66.395 18.076 -5.730 1.00 1.00 H new ATOM 0 HB3 PHE A 993 66.623 17.864 -7.454 1.00 1.00 H new ATOM 0 HD1 PHE A 993 68.931 16.688 -8.147 1.00 1.00 H new ATOM 0 HD2 PHE A 993 67.068 16.347 -4.290 1.00 1.00 H new ATOM 0 HE1 PHE A 993 70.181 14.587 -7.729 1.00 1.00 H new ATOM 0 HE2 PHE A 993 68.318 14.248 -3.874 1.00 1.00 H new ATOM 0 HZ PHE A 993 69.878 13.371 -5.589 1.00 1.00 H new ATOM 804 N ASP B 692 76.708 -15.910 6.835 1.00 1.00 N ATOM 805 CA ASP B 692 76.035 -15.476 8.055 1.00 1.00 C ATOM 806 C ASP B 692 74.831 -14.598 7.723 1.00 1.00 C ATOM 807 O ASP B 692 74.837 -13.866 6.734 1.00 1.00 O ATOM 808 CB ASP B 692 77.008 -14.693 8.935 1.00 1.00 C ATOM 809 CG ASP B 692 78.049 -15.636 9.529 1.00 1.00 C ATOM 810 OD1 ASP B 692 77.834 -16.835 9.474 1.00 1.00 O ATOM 811 OD2 ASP B 692 79.047 -15.144 10.027 1.00 1.00 O ATOM 0 HA ASP B 692 75.689 -16.361 8.589 1.00 1.00 H new ATOM 0 HB2 ASP B 692 77.500 -13.919 8.347 1.00 1.00 H new ATOM 0 HB3 ASP B 692 76.464 -14.189 9.734 1.00 1.00 H new ATOM 816 N ILE B 693 73.786 -14.711 8.536 1.00 1.00 N ATOM 817 CA ILE B 693 72.553 -13.962 8.312 1.00 1.00 C ATOM 818 C ILE B 693 72.777 -12.455 8.388 1.00 1.00 C ATOM 819 O ILE B 693 72.254 -11.709 7.560 1.00 1.00 O ATOM 820 CB ILE B 693 71.517 -14.357 9.368 1.00 1.00 C ATOM 821 CG1 ILE B 693 71.071 -15.803 9.138 1.00 1.00 C ATOM 822 CG2 ILE B 693 70.305 -13.427 9.270 1.00 1.00 C ATOM 823 CD1 ILE B 693 70.254 -16.285 10.339 1.00 1.00 C ATOM 0 H ILE B 693 73.768 -15.315 9.358 1.00 1.00 H new ATOM 0 HA ILE B 693 72.200 -14.205 7.310 1.00 1.00 H new ATOM 0 HB ILE B 693 71.963 -14.270 10.359 1.00 1.00 H new ATOM 0 HG12 ILE B 693 70.474 -15.870 8.229 1.00 1.00 H new ATOM 0 HG13 ILE B 693 71.941 -16.444 8.996 1.00 1.00 H new ATOM 0 HG21 ILE B 693 69.568 -13.709 10.022 1.00 1.00 H new ATOM 0 HG22 ILE B 693 70.621 -12.398 9.440 1.00 1.00 H new ATOM 0 HG23 ILE B 693 69.861 -13.511 8.278 1.00 1.00 H new ATOM 0 HD11 ILE B 693 69.937 -17.315 10.174 1.00 1.00 H new ATOM 0 HD12 ILE B 693 70.866 -16.234 11.240 1.00 1.00 H new ATOM 0 HD13 ILE B 693 69.376 -15.650 10.460 1.00 1.00 H new ATOM 835 N LEU B 694 73.538 -12.004 9.376 1.00 1.00 N ATOM 836 CA LEU B 694 73.798 -10.577 9.527 1.00 1.00 C ATOM 837 C LEU B 694 74.545 -10.029 8.311 1.00 1.00 C ATOM 838 O LEU B 694 74.247 -8.937 7.831 1.00 1.00 O ATOM 839 CB LEU B 694 74.626 -10.328 10.791 1.00 1.00 C ATOM 840 CG LEU B 694 73.708 -10.299 12.014 1.00 1.00 C ATOM 841 CD1 LEU B 694 73.010 -11.650 12.163 1.00 1.00 C ATOM 842 CD2 LEU B 694 74.542 -10.022 13.264 1.00 1.00 C ATOM 0 H LEU B 694 73.982 -12.596 10.078 1.00 1.00 H new ATOM 0 HA LEU B 694 72.841 -10.062 9.610 1.00 1.00 H new ATOM 0 HB2 LEU B 694 75.376 -11.111 10.906 1.00 1.00 H new ATOM 0 HB3 LEU B 694 75.163 -9.383 10.705 1.00 1.00 H new ATOM 0 HG LEU B 694 72.960 -9.516 11.888 1.00 1.00 H new ATOM 0 HD11 LEU B 694 72.356 -11.628 13.035 1.00 1.00 H new ATOM 0 HD12 LEU B 694 72.418 -11.854 11.271 1.00 1.00 H new ATOM 0 HD13 LEU B 694 73.757 -12.434 12.290 1.00 1.00 H new ATOM 0 HD21 LEU B 694 73.891 -10.000 14.138 1.00 1.00 H new ATOM 0 HD22 LEU B 694 75.287 -10.808 13.386 1.00 1.00 H new ATOM 0 HD23 LEU B 694 75.043 -9.060 13.161 1.00 1.00 H new ATOM 854 N VAL B 695 75.523 -10.788 7.830 1.00 1.00 N ATOM 855 CA VAL B 695 76.319 -10.361 6.680 1.00 1.00 C ATOM 856 C VAL B 695 75.462 -10.211 5.422 1.00 1.00 C ATOM 857 O VAL B 695 75.576 -9.217 4.703 1.00 1.00 O ATOM 858 CB VAL B 695 77.436 -11.372 6.419 1.00 1.00 C ATOM 859 CG1 VAL B 695 78.137 -11.034 5.102 1.00 1.00 C ATOM 860 CG2 VAL B 695 78.454 -11.313 7.562 1.00 1.00 C ATOM 0 H VAL B 695 75.784 -11.696 8.214 1.00 1.00 H new ATOM 0 HA VAL B 695 76.746 -9.386 6.916 1.00 1.00 H new ATOM 0 HB VAL B 695 77.009 -12.373 6.358 1.00 1.00 H new ATOM 0 HG11 VAL B 695 78.933 -11.756 4.918 1.00 1.00 H new ATOM 0 HG12 VAL B 695 77.416 -11.073 4.286 1.00 1.00 H new ATOM 0 HG13 VAL B 695 78.563 -10.032 5.163 1.00 1.00 H new ATOM 0 HG21 VAL B 695 79.251 -12.033 7.377 1.00 1.00 H new ATOM 0 HG22 VAL B 695 78.878 -10.310 7.621 1.00 1.00 H new ATOM 0 HG23 VAL B 695 77.959 -11.553 8.503 1.00 1.00 H new ATOM 870 N VAL B 696 74.598 -11.188 5.163 1.00 1.00 N ATOM 871 CA VAL B 696 73.734 -11.129 3.988 1.00 1.00 C ATOM 872 C VAL B 696 72.780 -9.942 4.079 1.00 1.00 C ATOM 873 O VAL B 696 72.573 -9.221 3.103 1.00 1.00 O ATOM 874 CB VAL B 696 72.926 -12.421 3.869 1.00 1.00 C ATOM 875 CG1 VAL B 696 71.870 -12.267 2.772 1.00 1.00 C ATOM 876 CG2 VAL B 696 73.865 -13.576 3.514 1.00 1.00 C ATOM 0 H VAL B 696 74.478 -12.019 5.742 1.00 1.00 H new ATOM 0 HA VAL B 696 74.364 -11.008 3.107 1.00 1.00 H new ATOM 0 HB VAL B 696 72.433 -12.629 4.819 1.00 1.00 H new ATOM 0 HG11 VAL B 696 71.295 -13.189 2.689 1.00 1.00 H new ATOM 0 HG12 VAL B 696 71.201 -11.444 3.024 1.00 1.00 H new ATOM 0 HG13 VAL B 696 72.361 -12.058 1.821 1.00 1.00 H new ATOM 0 HG21 VAL B 696 73.291 -14.499 3.429 1.00 1.00 H new ATOM 0 HG22 VAL B 696 74.357 -13.366 2.565 1.00 1.00 H new ATOM 0 HG23 VAL B 696 74.616 -13.687 4.296 1.00 1.00 H new ATOM 886 N LEU B 697 72.182 -9.758 5.247 1.00 1.00 N ATOM 887 CA LEU B 697 71.235 -8.666 5.444 1.00 1.00 C ATOM 888 C LEU B 697 71.899 -7.306 5.261 1.00 1.00 C ATOM 889 O LEU B 697 71.338 -6.413 4.623 1.00 1.00 O ATOM 890 CB LEU B 697 70.631 -8.768 6.849 1.00 1.00 C ATOM 891 CG LEU B 697 69.636 -7.627 7.087 1.00 1.00 C ATOM 892 CD1 LEU B 697 68.457 -8.164 7.898 1.00 1.00 C ATOM 893 CD2 LEU B 697 70.302 -6.494 7.881 1.00 1.00 C ATOM 0 H LEU B 697 72.333 -10.345 6.068 1.00 1.00 H new ATOM 0 HA LEU B 697 70.450 -8.753 4.692 1.00 1.00 H new ATOM 0 HB2 LEU B 697 70.128 -9.728 6.967 1.00 1.00 H new ATOM 0 HB3 LEU B 697 71.424 -8.730 7.596 1.00 1.00 H new ATOM 0 HG LEU B 697 69.300 -7.241 6.125 1.00 1.00 H new ATOM 0 HD11 LEU B 697 67.741 -7.361 8.074 1.00 1.00 H new ATOM 0 HD12 LEU B 697 67.971 -8.968 7.345 1.00 1.00 H new ATOM 0 HD13 LEU B 697 68.817 -8.546 8.853 1.00 1.00 H new ATOM 0 HD21 LEU B 697 69.583 -5.691 8.042 1.00 1.00 H new ATOM 0 HD22 LEU B 697 70.642 -6.875 8.844 1.00 1.00 H new ATOM 0 HD23 LEU B 697 71.155 -6.110 7.321 1.00 1.00 H new ATOM 905 N LEU B 698 73.098 -7.151 5.811 1.00 1.00 N ATOM 906 CA LEU B 698 73.825 -5.895 5.685 1.00 1.00 C ATOM 907 C LEU B 698 74.168 -5.620 4.229 1.00 1.00 C ATOM 908 O LEU B 698 74.057 -4.491 3.752 1.00 1.00 O ATOM 909 CB LEU B 698 75.102 -5.932 6.525 1.00 1.00 C ATOM 910 CG LEU B 698 74.739 -5.891 8.011 1.00 1.00 C ATOM 911 CD1 LEU B 698 75.985 -6.197 8.841 1.00 1.00 C ATOM 912 CD2 LEU B 698 74.199 -4.501 8.388 1.00 1.00 C ATOM 0 H LEU B 698 73.583 -7.873 6.344 1.00 1.00 H new ATOM 0 HA LEU B 698 73.186 -5.092 6.051 1.00 1.00 H new ATOM 0 HB2 LEU B 698 75.669 -6.836 6.303 1.00 1.00 H new ATOM 0 HB3 LEU B 698 75.740 -5.085 6.273 1.00 1.00 H new ATOM 0 HG LEU B 698 73.968 -6.635 8.212 1.00 1.00 H new ATOM 0 HD11 LEU B 698 75.732 -6.169 9.901 1.00 1.00 H new ATOM 0 HD12 LEU B 698 76.360 -7.188 8.583 1.00 1.00 H new ATOM 0 HD13 LEU B 698 76.753 -5.453 8.632 1.00 1.00 H new ATOM 0 HD21 LEU B 698 73.944 -4.485 9.448 1.00 1.00 H new ATOM 0 HD22 LEU B 698 74.961 -3.748 8.186 1.00 1.00 H new ATOM 0 HD23 LEU B 698 73.309 -4.284 7.798 1.00 1.00 H new ATOM 924 N SER B 699 74.598 -6.663 3.526 1.00 1.00 N ATOM 925 CA SER B 699 74.966 -6.537 2.125 1.00 1.00 C ATOM 926 C SER B 699 73.774 -6.105 1.272 1.00 1.00 C ATOM 927 O SER B 699 73.920 -5.276 0.372 1.00 1.00 O ATOM 928 CB SER B 699 75.519 -7.874 1.645 1.00 1.00 C ATOM 929 OG SER B 699 74.560 -8.890 1.902 1.00 1.00 O ATOM 0 H SER B 699 74.699 -7.604 3.906 1.00 1.00 H new ATOM 0 HA SER B 699 75.727 -5.764 2.022 1.00 1.00 H new ATOM 0 HB2 SER B 699 75.743 -7.828 0.579 1.00 1.00 H new ATOM 0 HB3 SER B 699 76.454 -8.101 2.157 1.00 1.00 H new ATOM 0 HG SER B 699 73.824 -8.519 2.432 1.00 1.00 H new ATOM 935 N VAL B 700 72.592 -6.651 1.562 1.00 1.00 N ATOM 936 CA VAL B 700 71.387 -6.289 0.810 1.00 1.00 C ATOM 937 C VAL B 700 71.077 -4.812 0.994 1.00 1.00 C ATOM 938 O VAL B 700 70.798 -4.107 0.033 1.00 1.00 O ATOM 939 CB VAL B 700 70.194 -7.114 1.294 1.00 1.00 C ATOM 940 CG1 VAL B 700 68.900 -6.597 0.654 1.00 1.00 C ATOM 941 CG2 VAL B 700 70.405 -8.578 0.913 1.00 1.00 C ATOM 0 H VAL B 700 72.442 -7.337 2.302 1.00 1.00 H new ATOM 0 HA VAL B 700 71.567 -6.494 -0.245 1.00 1.00 H new ATOM 0 HB VAL B 700 70.112 -7.024 2.377 1.00 1.00 H new ATOM 0 HG11 VAL B 700 68.057 -7.192 1.006 1.00 1.00 H new ATOM 0 HG12 VAL B 700 68.749 -5.554 0.931 1.00 1.00 H new ATOM 0 HG13 VAL B 700 68.973 -6.677 -0.431 1.00 1.00 H new ATOM 0 HG21 VAL B 700 69.556 -9.169 1.257 1.00 1.00 H new ATOM 0 HG22 VAL B 700 70.492 -8.663 -0.170 1.00 1.00 H new ATOM 0 HG23 VAL B 700 71.318 -8.948 1.380 1.00 1.00 H new ATOM 951 N MET B 701 71.148 -4.355 2.240 1.00 1.00 N ATOM 952 CA MET B 701 70.883 -2.950 2.541 1.00 1.00 C ATOM 953 C MET B 701 71.919 -2.053 1.863 1.00 1.00 C ATOM 954 O MET B 701 71.576 -0.996 1.330 1.00 1.00 O ATOM 955 CB MET B 701 70.857 -2.699 4.054 1.00 1.00 C ATOM 956 CG MET B 701 69.527 -3.187 4.643 1.00 1.00 C ATOM 957 SD MET B 701 69.571 -3.070 6.452 1.00 1.00 S ATOM 958 CE MET B 701 69.605 -1.266 6.593 1.00 1.00 C ATOM 0 H MET B 701 71.384 -4.928 3.050 1.00 1.00 H new ATOM 0 HA MET B 701 69.897 -2.703 2.147 1.00 1.00 H new ATOM 0 HB2 MET B 701 71.688 -3.218 4.532 1.00 1.00 H new ATOM 0 HB3 MET B 701 70.986 -1.636 4.257 1.00 1.00 H new ATOM 0 HG2 MET B 701 68.705 -2.588 4.251 1.00 1.00 H new ATOM 0 HG3 MET B 701 69.342 -4.218 4.341 1.00 1.00 H new ATOM 0 HE1 MET B 701 69.248 -0.971 7.580 1.00 1.00 H new ATOM 0 HE2 MET B 701 70.626 -0.909 6.455 1.00 1.00 H new ATOM 0 HE3 MET B 701 68.962 -0.829 5.829 1.00 1.00 H new ATOM 968 N GLY B 702 73.187 -2.481 1.847 1.00 1.00 N ATOM 969 CA GLY B 702 74.243 -1.716 1.189 1.00 1.00 C ATOM 970 C GLY B 702 73.962 -1.621 -0.314 1.00 1.00 C ATOM 971 O GLY B 702 74.142 -0.571 -0.919 1.00 1.00 O ATOM 0 H GLY B 702 73.502 -3.349 2.281 1.00 1.00 H new ATOM 0 HA2 GLY B 702 74.302 -0.717 1.620 1.00 1.00 H new ATOM 0 HA3 GLY B 702 75.208 -2.193 1.357 1.00 1.00 H new ATOM 975 N ALA B 703 73.529 -2.740 -0.910 1.00 1.00 N ATOM 976 CA ALA B 703 73.231 -2.780 -2.347 1.00 1.00 C ATOM 977 C ALA B 703 72.118 -1.797 -2.680 1.00 1.00 C ATOM 978 O ALA B 703 72.135 -1.149 -3.729 1.00 1.00 O ATOM 979 CB ALA B 703 72.782 -4.190 -2.759 1.00 1.00 C ATOM 0 H ALA B 703 73.378 -3.623 -0.423 1.00 1.00 H new ATOM 0 HA ALA B 703 74.137 -2.510 -2.890 1.00 1.00 H new ATOM 0 HB1 ALA B 703 72.564 -4.205 -3.827 1.00 1.00 H new ATOM 0 HB2 ALA B 703 73.577 -4.903 -2.541 1.00 1.00 H new ATOM 0 HB3 ALA B 703 71.886 -4.464 -2.202 1.00 1.00 H new ATOM 985 N ILE B 704 71.159 -1.675 -1.770 1.00 1.00 N ATOM 986 CA ILE B 704 70.056 -0.748 -2.005 1.00 1.00 C ATOM 987 C ILE B 704 70.613 0.664 -2.136 1.00 1.00 C ATOM 988 O ILE B 704 70.188 1.425 -3.006 1.00 1.00 O ATOM 989 CB ILE B 704 69.008 -0.768 -0.865 1.00 1.00 C ATOM 990 CG1 ILE B 704 68.271 -2.129 -0.826 1.00 1.00 C ATOM 991 CG2 ILE B 704 68.000 0.376 -1.075 1.00 1.00 C ATOM 992 CD1 ILE B 704 67.560 -2.409 -2.160 1.00 1.00 C ATOM 0 H ILE B 704 71.119 -2.188 -0.889 1.00 1.00 H new ATOM 0 HA ILE B 704 69.555 -1.063 -2.920 1.00 1.00 H new ATOM 0 HB ILE B 704 69.519 -0.630 0.088 1.00 1.00 H new ATOM 0 HG12 ILE B 704 68.984 -2.926 -0.615 1.00 1.00 H new ATOM 0 HG13 ILE B 704 67.543 -2.129 -0.015 1.00 1.00 H new ATOM 0 HG21 ILE B 704 67.262 0.362 -0.273 1.00 1.00 H new ATOM 0 HG22 ILE B 704 68.526 1.331 -1.068 1.00 1.00 H new ATOM 0 HG23 ILE B 704 67.497 0.246 -2.033 1.00 1.00 H new ATOM 0 HD11 ILE B 704 67.050 -3.371 -2.106 1.00 1.00 H new ATOM 0 HD12 ILE B 704 66.831 -1.623 -2.356 1.00 1.00 H new ATOM 0 HD13 ILE B 704 68.294 -2.432 -2.966 1.00 1.00 H new ATOM 1004 N LEU B 705 71.567 1.017 -1.288 1.00 1.00 N ATOM 1005 CA LEU B 705 72.150 2.347 -1.364 1.00 1.00 C ATOM 1006 C LEU B 705 72.810 2.576 -2.731 1.00 1.00 C ATOM 1007 O LEU B 705 72.605 3.618 -3.348 1.00 1.00 O ATOM 1008 CB LEU B 705 73.244 2.482 -0.292 1.00 1.00 C ATOM 1009 CG LEU B 705 72.661 2.507 1.128 1.00 1.00 C ATOM 1010 CD1 LEU B 705 73.795 2.334 2.151 1.00 1.00 C ATOM 1011 CD2 LEU B 705 72.003 3.858 1.382 1.00 1.00 C ATOM 0 H LEU B 705 71.947 0.417 -0.556 1.00 1.00 H new ATOM 0 HA LEU B 705 71.354 3.076 -1.212 1.00 1.00 H new ATOM 0 HB2 LEU B 705 73.943 1.651 -0.382 1.00 1.00 H new ATOM 0 HB3 LEU B 705 73.811 3.396 -0.467 1.00 1.00 H new ATOM 0 HG LEU B 705 71.933 1.702 1.226 1.00 1.00 H new ATOM 0 HD11 LEU B 705 73.381 2.352 3.159 1.00 1.00 H new ATOM 0 HD12 LEU B 705 74.296 1.381 1.981 1.00 1.00 H new ATOM 0 HD13 LEU B 705 74.513 3.146 2.039 1.00 1.00 H new ATOM 0 HD21 LEU B 705 71.589 3.877 2.390 1.00 1.00 H new ATOM 0 HD22 LEU B 705 72.746 4.649 1.280 1.00 1.00 H new ATOM 0 HD23 LEU B 705 71.203 4.015 0.658 1.00 1.00 H new ATOM 1023 N LEU B 706 73.593 1.602 -3.217 1.00 1.00 N ATOM 1024 CA LEU B 706 74.256 1.764 -4.522 1.00 1.00 C ATOM 1025 C LEU B 706 73.239 1.888 -5.652 1.00 1.00 C ATOM 1026 O LEU B 706 73.412 2.702 -6.555 1.00 1.00 O ATOM 1027 CB LEU B 706 75.223 0.600 -4.835 1.00 1.00 C ATOM 1028 CG LEU B 706 76.595 0.836 -4.173 1.00 1.00 C ATOM 1029 CD1 LEU B 706 77.359 1.967 -4.883 1.00 1.00 C ATOM 1030 CD2 LEU B 706 76.402 1.204 -2.706 1.00 1.00 C ATOM 0 H LEU B 706 73.780 0.718 -2.744 1.00 1.00 H new ATOM 0 HA LEU B 706 74.835 2.685 -4.455 1.00 1.00 H new ATOM 0 HB2 LEU B 706 74.798 -0.338 -4.478 1.00 1.00 H new ATOM 0 HB3 LEU B 706 75.346 0.504 -5.914 1.00 1.00 H new ATOM 0 HG LEU B 706 77.175 -0.083 -4.252 1.00 1.00 H new ATOM 0 HD11 LEU B 706 78.324 2.115 -4.398 1.00 1.00 H new ATOM 0 HD12 LEU B 706 77.516 1.700 -5.928 1.00 1.00 H new ATOM 0 HD13 LEU B 706 76.780 2.889 -4.827 1.00 1.00 H new ATOM 0 HD21 LEU B 706 77.374 1.370 -2.242 1.00 1.00 H new ATOM 0 HD22 LEU B 706 75.806 2.114 -2.634 1.00 1.00 H new ATOM 0 HD23 LEU B 706 75.888 0.392 -2.192 1.00 1.00 H new ATOM 1042 N ILE B 707 72.203 1.062 -5.617 1.00 1.00 N ATOM 1043 CA ILE B 707 71.194 1.096 -6.670 1.00 1.00 C ATOM 1044 C ILE B 707 70.455 2.427 -6.684 1.00 1.00 C ATOM 1045 O ILE B 707 70.230 3.015 -7.744 1.00 1.00 O ATOM 1046 CB ILE B 707 70.201 -0.035 -6.440 1.00 1.00 C ATOM 1047 CG1 ILE B 707 70.908 -1.375 -6.665 1.00 1.00 C ATOM 1048 CG2 ILE B 707 69.030 0.110 -7.416 1.00 1.00 C ATOM 1049 CD1 ILE B 707 70.004 -2.516 -6.191 1.00 1.00 C ATOM 0 H ILE B 707 72.039 0.371 -4.885 1.00 1.00 H new ATOM 0 HA ILE B 707 71.691 0.976 -7.633 1.00 1.00 H new ATOM 0 HB ILE B 707 69.820 0.006 -5.420 1.00 1.00 H new ATOM 0 HG12 ILE B 707 71.145 -1.500 -7.721 1.00 1.00 H new ATOM 0 HG13 ILE B 707 71.853 -1.396 -6.121 1.00 1.00 H new ATOM 0 HG21 ILE B 707 68.318 -0.699 -7.253 1.00 1.00 H new ATOM 0 HG22 ILE B 707 68.536 1.067 -7.251 1.00 1.00 H new ATOM 0 HG23 ILE B 707 69.402 0.065 -8.440 1.00 1.00 H new ATOM 0 HD11 ILE B 707 70.507 -3.469 -6.351 1.00 1.00 H new ATOM 0 HD12 ILE B 707 69.789 -2.393 -5.129 1.00 1.00 H new ATOM 0 HD13 ILE B 707 69.071 -2.499 -6.754 1.00 1.00 H new ATOM 1061 N GLY B 708 70.074 2.896 -5.504 1.00 1.00 N ATOM 1062 CA GLY B 708 69.360 4.159 -5.387 1.00 1.00 C ATOM 1063 C GLY B 708 70.262 5.350 -5.711 1.00 1.00 C ATOM 1064 O GLY B 708 69.833 6.310 -6.350 1.00 1.00 O ATOM 0 H GLY B 708 70.247 2.423 -4.617 1.00 1.00 H new ATOM 0 HA2 GLY B 708 68.504 4.157 -6.061 1.00 1.00 H new ATOM 0 HA3 GLY B 708 68.969 4.263 -4.375 1.00 1.00 H new ATOM 1068 N LEU B 709 71.508 5.290 -5.243 1.00 1.00 N ATOM 1069 CA LEU B 709 72.479 6.363 -5.463 1.00 1.00 C ATOM 1070 C LEU B 709 72.900 6.520 -6.925 1.00 1.00 C ATOM 1071 O LEU B 709 73.126 7.636 -7.380 1.00 1.00 O ATOM 1072 CB LEU B 709 73.717 6.147 -4.594 1.00 1.00 C ATOM 1073 CG LEU B 709 73.359 6.395 -3.125 1.00 1.00 C ATOM 1074 CD1 LEU B 709 74.485 5.866 -2.240 1.00 1.00 C ATOM 1075 CD2 LEU B 709 73.171 7.898 -2.857 1.00 1.00 C ATOM 0 H LEU B 709 71.872 4.503 -4.705 1.00 1.00 H new ATOM 0 HA LEU B 709 71.974 7.286 -5.180 1.00 1.00 H new ATOM 0 HB2 LEU B 709 74.091 5.131 -4.722 1.00 1.00 H new ATOM 0 HB3 LEU B 709 74.515 6.822 -4.904 1.00 1.00 H new ATOM 0 HG LEU B 709 72.425 5.880 -2.900 1.00 1.00 H new ATOM 0 HD11 LEU B 709 74.237 6.039 -1.193 1.00 1.00 H new ATOM 0 HD12 LEU B 709 74.610 4.797 -2.411 1.00 1.00 H new ATOM 0 HD13 LEU B 709 75.413 6.384 -2.483 1.00 1.00 H new ATOM 0 HD21 LEU B 709 72.917 8.052 -1.808 1.00 1.00 H new ATOM 0 HD22 LEU B 709 74.095 8.427 -3.088 1.00 1.00 H new ATOM 0 HD23 LEU B 709 72.367 8.282 -3.485 1.00 1.00 H new ATOM 1087 N ALA B 710 73.056 5.406 -7.648 1.00 1.00 N ATOM 1088 CA ALA B 710 73.517 5.482 -9.036 1.00 1.00 C ATOM 1089 C ALA B 710 72.659 6.438 -9.872 1.00 1.00 C ATOM 1090 O ALA B 710 73.194 7.394 -10.438 1.00 1.00 O ATOM 1091 CB ALA B 710 73.557 4.082 -9.667 1.00 1.00 C ATOM 0 H ALA B 710 72.875 4.463 -7.305 1.00 1.00 H new ATOM 0 HA ALA B 710 74.529 5.887 -9.026 1.00 1.00 H new ATOM 0 HB1 ALA B 710 73.902 4.157 -10.698 1.00 1.00 H new ATOM 0 HB2 ALA B 710 74.240 3.447 -9.102 1.00 1.00 H new ATOM 0 HB3 ALA B 710 72.558 3.646 -9.649 1.00 1.00 H new ATOM 1097 N PRO B 711 71.360 6.248 -9.961 1.00 1.00 N ATOM 1098 CA PRO B 711 70.495 7.179 -10.743 1.00 1.00 C ATOM 1099 C PRO B 711 70.671 8.626 -10.282 1.00 1.00 C ATOM 1100 O PRO B 711 70.814 9.538 -11.096 1.00 1.00 O ATOM 1101 CB PRO B 711 69.068 6.707 -10.441 1.00 1.00 C ATOM 1102 CG PRO B 711 69.194 5.292 -9.989 1.00 1.00 C ATOM 1103 CD PRO B 711 70.581 5.152 -9.359 1.00 1.00 C ATOM 0 HA PRO B 711 70.740 7.164 -11.805 1.00 1.00 H new ATOM 0 HB2 PRO B 711 68.607 7.324 -9.670 1.00 1.00 H new ATOM 0 HB3 PRO B 711 68.437 6.780 -11.327 1.00 1.00 H new ATOM 0 HG2 PRO B 711 68.415 5.046 -9.268 1.00 1.00 H new ATOM 0 HG3 PRO B 711 69.080 4.606 -10.828 1.00 1.00 H new ATOM 0 HD2 PRO B 711 70.537 5.243 -8.274 1.00 1.00 H new ATOM 0 HD3 PRO B 711 71.023 4.180 -9.580 1.00 1.00 H new ATOM 1111 N LEU B 712 70.675 8.820 -8.963 1.00 1.00 N ATOM 1112 CA LEU B 712 70.852 10.147 -8.379 1.00 1.00 C ATOM 1113 C LEU B 712 72.247 10.693 -8.664 1.00 1.00 C ATOM 1114 O LEU B 712 72.412 11.873 -8.971 1.00 1.00 O ATOM 1115 CB LEU B 712 70.627 10.087 -6.866 1.00 1.00 C ATOM 1116 CG LEU B 712 69.148 9.800 -6.576 1.00 1.00 C ATOM 1117 CD1 LEU B 712 68.951 9.547 -5.080 1.00 1.00 C ATOM 1118 CD2 LEU B 712 68.280 10.991 -7.003 1.00 1.00 C ATOM 0 H LEU B 712 70.557 8.073 -8.279 1.00 1.00 H new ATOM 0 HA LEU B 712 70.120 10.815 -8.834 1.00 1.00 H new ATOM 0 HB2 LEU B 712 71.252 9.310 -6.426 1.00 1.00 H new ATOM 0 HB3 LEU B 712 70.922 11.031 -6.407 1.00 1.00 H new ATOM 0 HG LEU B 712 68.850 8.917 -7.141 1.00 1.00 H new ATOM 0 HD11 LEU B 712 67.899 9.344 -4.881 1.00 1.00 H new ATOM 0 HD12 LEU B 712 69.550 8.690 -4.774 1.00 1.00 H new ATOM 0 HD13 LEU B 712 69.263 10.427 -4.518 1.00 1.00 H new ATOM 0 HD21 LEU B 712 67.233 10.773 -6.791 1.00 1.00 H new ATOM 0 HD22 LEU B 712 68.584 11.880 -6.450 1.00 1.00 H new ATOM 0 HD23 LEU B 712 68.405 11.168 -8.071 1.00 1.00 H new ATOM 1130 N LEU B 713 73.252 9.828 -8.552 1.00 1.00 N ATOM 1131 CA LEU B 713 74.629 10.238 -8.790 1.00 1.00 C ATOM 1132 C LEU B 713 74.816 10.687 -10.229 1.00 1.00 C ATOM 1133 O LEU B 713 75.487 11.682 -10.491 1.00 1.00 O ATOM 1134 CB LEU B 713 75.589 9.087 -8.476 1.00 1.00 C ATOM 1135 CG LEU B 713 75.792 8.980 -6.960 1.00 1.00 C ATOM 1136 CD1 LEU B 713 76.548 7.690 -6.641 1.00 1.00 C ATOM 1137 CD2 LEU B 713 76.601 10.179 -6.444 1.00 1.00 C ATOM 0 H LEU B 713 73.138 8.846 -8.300 1.00 1.00 H new ATOM 0 HA LEU B 713 74.852 11.077 -8.131 1.00 1.00 H new ATOM 0 HB2 LEU B 713 75.189 8.151 -8.866 1.00 1.00 H new ATOM 0 HB3 LEU B 713 76.546 9.255 -8.970 1.00 1.00 H new ATOM 0 HG LEU B 713 74.817 8.973 -6.473 1.00 1.00 H new ATOM 0 HD11 LEU B 713 76.694 7.611 -5.564 1.00 1.00 H new ATOM 0 HD12 LEU B 713 75.972 6.834 -6.993 1.00 1.00 H new ATOM 0 HD13 LEU B 713 77.518 7.704 -7.139 1.00 1.00 H new ATOM 0 HD21 LEU B 713 76.737 10.089 -5.366 1.00 1.00 H new ATOM 0 HD22 LEU B 713 77.575 10.198 -6.933 1.00 1.00 H new ATOM 0 HD23 LEU B 713 76.066 11.102 -6.667 1.00 1.00 H new ATOM 1149 N ILE B 714 74.216 9.959 -11.161 1.00 1.00 N ATOM 1150 CA ILE B 714 74.336 10.321 -12.563 1.00 1.00 C ATOM 1151 C ILE B 714 73.696 11.683 -12.791 1.00 1.00 C ATOM 1152 O ILE B 714 74.267 12.542 -13.461 1.00 1.00 O ATOM 1153 CB ILE B 714 73.643 9.274 -13.438 1.00 1.00 C ATOM 1154 CG1 ILE B 714 74.417 7.956 -13.367 1.00 1.00 C ATOM 1155 CG2 ILE B 714 73.607 9.765 -14.887 1.00 1.00 C ATOM 1156 CD1 ILE B 714 73.588 6.840 -14.007 1.00 1.00 C ATOM 0 H ILE B 714 73.652 9.130 -10.975 1.00 1.00 H new ATOM 0 HA ILE B 714 75.391 10.363 -12.832 1.00 1.00 H new ATOM 0 HB ILE B 714 72.625 9.118 -13.080 1.00 1.00 H new ATOM 0 HG12 ILE B 714 75.372 8.055 -13.883 1.00 1.00 H new ATOM 0 HG13 ILE B 714 74.639 7.708 -12.329 1.00 1.00 H new ATOM 0 HG21 ILE B 714 73.114 9.020 -15.511 1.00 1.00 H new ATOM 0 HG22 ILE B 714 73.057 10.704 -14.939 1.00 1.00 H new ATOM 0 HG23 ILE B 714 74.625 9.921 -15.244 1.00 1.00 H new ATOM 0 HD11 ILE B 714 74.140 5.902 -13.956 1.00 1.00 H new ATOM 0 HD12 ILE B 714 72.644 6.735 -13.472 1.00 1.00 H new ATOM 0 HD13 ILE B 714 73.388 7.087 -15.050 1.00 1.00 H new ATOM 1168 N TRP B 715 72.520 11.879 -12.207 1.00 1.00 N ATOM 1169 CA TRP B 715 71.805 13.143 -12.327 1.00 1.00 C ATOM 1170 C TRP B 715 72.636 14.270 -11.706 1.00 1.00 C ATOM 1171 O TRP B 715 72.818 15.329 -12.306 1.00 1.00 O ATOM 1172 CB TRP B 715 70.452 12.967 -11.617 1.00 1.00 C ATOM 1173 CG TRP B 715 69.699 14.257 -11.460 1.00 1.00 C ATOM 1174 CD1 TRP B 715 69.889 15.391 -12.173 1.00 1.00 C ATOM 1175 CD2 TRP B 715 68.595 14.528 -10.549 1.00 1.00 C ATOM 1176 NE1 TRP B 715 68.991 16.352 -11.727 1.00 1.00 N ATOM 1177 CE2 TRP B 715 68.168 15.862 -10.734 1.00 1.00 C ATOM 1178 CE3 TRP B 715 67.936 13.749 -9.581 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 67.122 16.406 -9.985 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 66.883 14.290 -8.829 1.00 1.00 C ATOM 1181 CH2 TRP B 715 66.476 15.614 -9.028 1.00 1.00 C ATOM 0 H TRP B 715 72.040 11.176 -11.644 1.00 1.00 H new ATOM 0 HA TRP B 715 71.636 13.413 -13.369 1.00 1.00 H new ATOM 0 HB2 TRP B 715 69.841 12.262 -12.181 1.00 1.00 H new ATOM 0 HB3 TRP B 715 70.619 12.528 -10.633 1.00 1.00 H new ATOM 0 HD1 TRP B 715 70.618 15.526 -12.958 1.00 1.00 H new ATOM 0 HE1 TRP B 715 68.945 17.304 -12.090 1.00 1.00 H new ATOM 0 HE3 TRP B 715 68.243 12.727 -9.416 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 66.814 17.429 -10.143 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 66.383 13.680 -8.091 1.00 1.00 H new ATOM 0 HH2 TRP B 715 65.665 16.024 -8.444 1.00 1.00 H new ATOM 1192 N LYS B 716 73.132 14.032 -10.496 1.00 1.00 N ATOM 1193 CA LYS B 716 73.928 15.030 -9.788 1.00 1.00 C ATOM 1194 C LYS B 716 75.195 15.397 -10.563 1.00 1.00 C ATOM 1195 O LYS B 716 75.539 16.574 -10.667 1.00 1.00 O ATOM 1196 CB LYS B 716 74.326 14.492 -8.408 1.00 1.00 C ATOM 1197 CG LYS B 716 74.737 15.650 -7.478 1.00 1.00 C ATOM 1198 CD LYS B 716 73.555 16.137 -6.606 1.00 1.00 C ATOM 1199 CE LYS B 716 72.560 16.970 -7.421 1.00 1.00 C ATOM 1200 NZ LYS B 716 71.739 17.800 -6.495 1.00 1.00 N ATOM 0 H LYS B 716 72.998 13.159 -9.986 1.00 1.00 H new ATOM 0 HA LYS B 716 73.316 15.926 -9.684 1.00 1.00 H new ATOM 0 HB2 LYS B 716 73.492 13.944 -7.970 1.00 1.00 H new ATOM 0 HB3 LYS B 716 75.152 13.788 -8.509 1.00 1.00 H new ATOM 0 HG2 LYS B 716 75.554 15.326 -6.834 1.00 1.00 H new ATOM 0 HG3 LYS B 716 75.113 16.480 -8.076 1.00 1.00 H new ATOM 0 HD2 LYS B 716 73.043 15.278 -6.173 1.00 1.00 H new ATOM 0 HD3 LYS B 716 73.935 16.732 -5.776 1.00 1.00 H new ATOM 0 HE2 LYS B 716 73.093 17.609 -8.125 1.00 1.00 H new ATOM 0 HE3 LYS B 716 71.916 16.316 -8.009 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 71.585 18.739 -6.915 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 70.821 17.337 -6.335 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 72.237 17.904 -5.588 1.00 1.00 H new ATOM 1214 N LEU B 717 75.891 14.396 -11.101 1.00 1.00 N ATOM 1215 CA LEU B 717 77.115 14.664 -11.854 1.00 1.00 C ATOM 1216 C LEU B 717 76.813 15.501 -13.091 1.00 1.00 C ATOM 1217 O LEU B 717 77.548 16.434 -13.413 1.00 1.00 O ATOM 1218 CB LEU B 717 77.784 13.349 -12.263 1.00 1.00 C ATOM 1219 CG LEU B 717 78.370 12.656 -11.024 1.00 1.00 C ATOM 1220 CD1 LEU B 717 78.832 11.247 -11.402 1.00 1.00 C ATOM 1221 CD2 LEU B 717 79.564 13.455 -10.481 1.00 1.00 C ATOM 0 H LEU B 717 75.635 13.411 -11.032 1.00 1.00 H new ATOM 0 HA LEU B 717 77.795 15.224 -11.213 1.00 1.00 H new ATOM 0 HB2 LEU B 717 77.058 12.696 -12.747 1.00 1.00 H new ATOM 0 HB3 LEU B 717 78.573 13.542 -12.990 1.00 1.00 H new ATOM 0 HG LEU B 717 77.602 12.600 -10.253 1.00 1.00 H new ATOM 0 HD11 LEU B 717 79.248 10.753 -10.524 1.00 1.00 H new ATOM 0 HD12 LEU B 717 77.983 10.673 -11.773 1.00 1.00 H new ATOM 0 HD13 LEU B 717 79.594 11.310 -12.179 1.00 1.00 H new ATOM 0 HD21 LEU B 717 79.969 12.952 -9.603 1.00 1.00 H new ATOM 0 HD22 LEU B 717 80.335 13.523 -11.248 1.00 1.00 H new ATOM 0 HD23 LEU B 717 79.236 14.457 -10.206 1.00 1.00 H new ATOM 1233 N LEU B 718 75.737 15.154 -13.791 1.00 1.00 N ATOM 1234 CA LEU B 718 75.368 15.882 -14.997 1.00 1.00 C ATOM 1235 C LEU B 718 75.074 17.339 -14.665 1.00 1.00 C ATOM 1236 O LEU B 718 75.502 18.238 -15.387 1.00 1.00 O ATOM 1237 CB LEU B 718 74.140 15.239 -15.654 1.00 1.00 C ATOM 1238 CG LEU B 718 74.525 13.882 -16.259 1.00 1.00 C ATOM 1239 CD1 LEU B 718 73.260 13.128 -16.669 1.00 1.00 C ATOM 1240 CD2 LEU B 718 75.414 14.081 -17.495 1.00 1.00 C ATOM 0 H LEU B 718 75.114 14.384 -13.547 1.00 1.00 H new ATOM 0 HA LEU B 718 76.204 15.840 -15.695 1.00 1.00 H new ATOM 0 HB2 LEU B 718 73.349 15.107 -14.916 1.00 1.00 H new ATOM 0 HB3 LEU B 718 73.746 15.895 -16.430 1.00 1.00 H new ATOM 0 HG LEU B 718 75.074 13.309 -15.512 1.00 1.00 H new ATOM 0 HD11 LEU B 718 73.534 12.164 -17.099 1.00 1.00 H new ATOM 0 HD12 LEU B 718 72.631 12.969 -15.793 1.00 1.00 H new ATOM 0 HD13 LEU B 718 72.712 13.712 -17.408 1.00 1.00 H new ATOM 0 HD21 LEU B 718 75.679 13.110 -17.913 1.00 1.00 H new ATOM 0 HD22 LEU B 718 74.874 14.662 -18.242 1.00 1.00 H new ATOM 0 HD23 LEU B 718 76.322 14.612 -17.209 1.00 1.00 H new ATOM 1252 N ILE B 719 74.368 17.583 -13.563 1.00 1.00 N ATOM 1253 CA ILE B 719 74.069 18.955 -13.176 1.00 1.00 C ATOM 1254 C ILE B 719 75.365 19.690 -12.868 1.00 1.00 C ATOM 1255 O ILE B 719 75.546 20.840 -13.265 1.00 1.00 O ATOM 1256 CB ILE B 719 73.168 18.990 -11.940 1.00 1.00 C ATOM 1257 CG1 ILE B 719 71.783 18.449 -12.295 1.00 1.00 C ATOM 1258 CG2 ILE B 719 73.041 20.436 -11.451 1.00 1.00 C ATOM 1259 CD1 ILE B 719 70.978 18.231 -11.011 1.00 1.00 C ATOM 0 H ILE B 719 74.001 16.866 -12.937 1.00 1.00 H new ATOM 0 HA ILE B 719 73.549 19.439 -14.003 1.00 1.00 H new ATOM 0 HB ILE B 719 73.604 18.372 -11.155 1.00 1.00 H new ATOM 0 HG12 ILE B 719 71.263 19.150 -12.949 1.00 1.00 H new ATOM 0 HG13 ILE B 719 71.876 17.511 -12.843 1.00 1.00 H new ATOM 0 HG21 ILE B 719 72.400 20.467 -10.570 1.00 1.00 H new ATOM 0 HG22 ILE B 719 74.028 20.822 -11.195 1.00 1.00 H new ATOM 0 HG23 ILE B 719 72.605 21.050 -12.239 1.00 1.00 H new ATOM 0 HD11 ILE B 719 69.990 17.845 -11.262 1.00 1.00 H new ATOM 0 HD12 ILE B 719 71.496 17.514 -10.374 1.00 1.00 H new ATOM 0 HD13 ILE B 719 70.874 19.178 -10.482 1.00 1.00 H new ATOM 1271 N THR B 720 76.258 19.031 -12.136 1.00 1.00 N ATOM 1272 CA THR B 720 77.515 19.669 -11.766 1.00 1.00 C ATOM 1273 C THR B 720 78.313 20.056 -13.009 1.00 1.00 C ATOM 1274 O THR B 720 78.831 21.167 -13.084 1.00 1.00 O ATOM 1275 CB THR B 720 78.350 18.724 -10.900 1.00 1.00 C ATOM 1276 OG1 THR B 720 77.541 18.204 -9.854 1.00 1.00 O ATOM 1277 CG2 THR B 720 79.525 19.494 -10.295 1.00 1.00 C ATOM 0 H THR B 720 76.139 18.077 -11.794 1.00 1.00 H new ATOM 0 HA THR B 720 77.283 20.572 -11.201 1.00 1.00 H new ATOM 0 HB THR B 720 78.726 17.905 -11.513 1.00 1.00 H new ATOM 0 HG1 THR B 720 76.950 17.509 -10.212 1.00 1.00 H new ATOM 0 HG21 THR B 720 80.121 18.822 -9.678 1.00 1.00 H new ATOM 0 HG22 THR B 720 80.146 19.898 -11.095 1.00 1.00 H new ATOM 0 HG23 THR B 720 79.147 20.311 -9.681 1.00 1.00 H new ATOM 1285 N ILE B 721 78.454 19.148 -13.969 1.00 1.00 N ATOM 1286 CA ILE B 721 79.245 19.454 -15.159 1.00 1.00 C ATOM 1287 C ILE B 721 78.646 20.619 -15.944 1.00 1.00 C ATOM 1288 O ILE B 721 79.363 21.525 -16.366 1.00 1.00 O ATOM 1289 CB ILE B 721 79.326 18.221 -16.059 1.00 1.00 C ATOM 1290 CG1 ILE B 721 80.157 17.134 -15.369 1.00 1.00 C ATOM 1291 CG2 ILE B 721 79.985 18.604 -17.386 1.00 1.00 C ATOM 1292 CD1 ILE B 721 79.980 15.804 -16.111 1.00 1.00 C ATOM 0 H ILE B 721 78.042 18.215 -13.951 1.00 1.00 H new ATOM 0 HA ILE B 721 80.244 19.741 -14.832 1.00 1.00 H new ATOM 0 HB ILE B 721 78.322 17.842 -16.247 1.00 1.00 H new ATOM 0 HG12 ILE B 721 81.209 17.419 -15.357 1.00 1.00 H new ATOM 0 HG13 ILE B 721 79.844 17.027 -14.330 1.00 1.00 H new ATOM 0 HG21 ILE B 721 80.044 17.726 -18.030 1.00 1.00 H new ATOM 0 HG22 ILE B 721 79.392 19.375 -17.878 1.00 1.00 H new ATOM 0 HG23 ILE B 721 80.989 18.984 -17.197 1.00 1.00 H new ATOM 0 HD11 ILE B 721 80.571 15.032 -15.619 1.00 1.00 H new ATOM 0 HD12 ILE B 721 78.928 15.518 -16.099 1.00 1.00 H new ATOM 0 HD13 ILE B 721 80.314 15.916 -17.142 1.00 1.00 H new ATOM 1304 N HIS B 722 77.328 20.609 -16.103 1.00 1.00 N ATOM 1305 CA HIS B 722 76.666 21.703 -16.807 1.00 1.00 C ATOM 1306 C HIS B 722 76.872 22.998 -16.024 1.00 1.00 C ATOM 1307 O HIS B 722 77.012 24.076 -16.599 1.00 1.00 O ATOM 1308 CB HIS B 722 75.167 21.419 -16.962 1.00 1.00 C ATOM 1309 CG HIS B 722 74.954 20.383 -18.036 1.00 1.00 C ATOM 1310 ND1 HIS B 722 75.179 19.033 -17.819 1.00 1.00 N ATOM 1311 CD2 HIS B 722 74.531 20.484 -19.341 1.00 1.00 C ATOM 1312 CE1 HIS B 722 74.896 18.383 -18.963 1.00 1.00 C ATOM 1313 NE2 HIS B 722 74.497 19.220 -19.921 1.00 1.00 N ATOM 0 H HIS B 722 76.707 19.874 -15.763 1.00 1.00 H new ATOM 0 HA HIS B 722 77.099 21.800 -17.802 1.00 1.00 H new ATOM 0 HB2 HIS B 722 74.754 21.067 -16.017 1.00 1.00 H new ATOM 0 HB3 HIS B 722 74.638 22.337 -17.219 1.00 1.00 H new ATOM 0 HD1 HIS B 722 75.501 18.609 -16.949 1.00 1.00 H new ATOM 0 HD2 HIS B 722 74.266 21.405 -19.840 1.00 1.00 H new ATOM 0 HE1 HIS B 722 74.982 17.314 -19.090 1.00 1.00 H new