USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=6 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 180:sc= 0 USER MOD Single : A 987 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 699 SER OG : rot -14:sc= 0.0483 USER MOD Single : B 701 MET CE :methyl 147:sc= -0.124 (180deg=-0.998) USER MOD Single : B 716 LYS NZ :NH3+ 148:sc= -0.163! (180deg=-5.4!) USER MOD Single : B 720 THR OG1 : rot 77:sc= 0.336 USER MOD Single : B 722 HIS : no HE2:sc= 1 K(o=1,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 64.081 -16.459 4.120 1.00 1.00 N ATOM 137 CA ILE A 966 63.410 -15.379 3.400 1.00 1.00 C ATOM 138 C ILE A 966 63.275 -14.079 4.204 1.00 1.00 C ATOM 139 O ILE A 966 63.347 -12.989 3.637 1.00 1.00 O ATOM 140 CB ILE A 966 62.017 -15.846 2.972 1.00 1.00 C ATOM 141 CG1 ILE A 966 61.399 -14.821 2.017 1.00 1.00 C ATOM 142 CG2 ILE A 966 61.127 -15.992 4.208 1.00 1.00 C ATOM 143 CD1 ILE A 966 60.144 -15.415 1.374 1.00 1.00 C ATOM 0 HA ILE A 966 64.039 -15.149 2.540 1.00 1.00 H new ATOM 0 HB ILE A 966 62.099 -16.807 2.465 1.00 1.00 H new ATOM 0 HG12 ILE A 966 61.146 -13.909 2.559 1.00 1.00 H new ATOM 0 HG13 ILE A 966 62.119 -14.545 1.247 1.00 1.00 H new ATOM 0 HG21 ILE A 966 60.134 -16.325 3.904 1.00 1.00 H new ATOM 0 HG22 ILE A 966 61.564 -16.725 4.886 1.00 1.00 H new ATOM 0 HG23 ILE A 966 61.048 -15.030 4.715 1.00 1.00 H new ATOM 0 HD11 ILE A 966 59.704 -14.686 0.694 1.00 1.00 H new ATOM 0 HD12 ILE A 966 60.411 -16.314 0.819 1.00 1.00 H new ATOM 0 HD13 ILE A 966 59.423 -15.669 2.151 1.00 1.00 H new ATOM 155 N TRP A 967 63.015 -14.193 5.503 1.00 1.00 N ATOM 156 CA TRP A 967 62.802 -12.999 6.327 1.00 1.00 C ATOM 157 C TRP A 967 63.954 -11.999 6.216 1.00 1.00 C ATOM 158 O TRP A 967 63.726 -10.809 6.005 1.00 1.00 O ATOM 159 CB TRP A 967 62.638 -13.389 7.799 1.00 1.00 C ATOM 160 CG TRP A 967 62.721 -14.873 7.951 1.00 1.00 C ATOM 161 CD1 TRP A 967 63.797 -15.541 8.424 1.00 1.00 C ATOM 162 CD2 TRP A 967 61.712 -15.880 7.650 1.00 1.00 C ATOM 163 NE1 TRP A 967 63.516 -16.894 8.430 1.00 1.00 N ATOM 164 CE2 TRP A 967 62.242 -17.154 7.961 1.00 1.00 C ATOM 165 CE3 TRP A 967 60.403 -15.812 7.141 1.00 1.00 C ATOM 166 CZ2 TRP A 967 61.499 -18.321 7.774 1.00 1.00 C ATOM 167 CZ3 TRP A 967 59.652 -16.983 6.952 1.00 1.00 C ATOM 168 CH2 TRP A 967 60.199 -18.235 7.267 1.00 1.00 C ATOM 0 H TRP A 967 62.947 -15.079 6.004 1.00 1.00 H new ATOM 0 HA TRP A 967 61.895 -12.523 5.953 1.00 1.00 H new ATOM 0 HB2 TRP A 967 63.413 -12.911 8.398 1.00 1.00 H new ATOM 0 HB3 TRP A 967 61.679 -13.031 8.173 1.00 1.00 H new ATOM 0 HD1 TRP A 967 64.725 -15.091 8.745 1.00 1.00 H new ATOM 0 HE1 TRP A 967 64.169 -17.613 8.742 1.00 1.00 H new ATOM 0 HE3 TRP A 967 59.973 -14.853 6.894 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 61.925 -19.283 8.019 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 58.647 -16.919 6.562 1.00 1.00 H new ATOM 0 HH2 TRP A 967 59.617 -19.132 7.118 1.00 1.00 H new ATOM 179 N TRP A 968 65.179 -12.462 6.426 1.00 1.00 N ATOM 180 CA TRP A 968 66.336 -11.565 6.411 1.00 1.00 C ATOM 181 C TRP A 968 66.467 -10.833 5.079 1.00 1.00 C ATOM 182 O TRP A 968 66.772 -9.640 5.068 1.00 1.00 O ATOM 183 CB TRP A 968 67.622 -12.345 6.680 1.00 1.00 C ATOM 184 CG TRP A 968 67.434 -13.239 7.861 1.00 1.00 C ATOM 185 CD1 TRP A 968 67.504 -14.583 7.814 1.00 1.00 C ATOM 186 CD2 TRP A 968 67.142 -12.890 9.247 1.00 1.00 C ATOM 187 NE1 TRP A 968 67.279 -15.091 9.080 1.00 1.00 N ATOM 188 CE2 TRP A 968 67.048 -14.086 9.999 1.00 1.00 C ATOM 189 CE3 TRP A 968 66.953 -11.669 9.920 1.00 1.00 C ATOM 190 CZ2 TRP A 968 66.776 -14.072 11.367 1.00 1.00 C ATOM 191 CZ3 TRP A 968 66.679 -11.651 11.298 1.00 1.00 C ATOM 192 CH2 TRP A 968 66.590 -12.850 12.019 1.00 1.00 C ATOM 0 H TRP A 968 65.400 -13.441 6.607 1.00 1.00 H new ATOM 0 HA TRP A 968 66.179 -10.828 7.198 1.00 1.00 H new ATOM 0 HB2 TRP A 968 67.890 -12.936 5.804 1.00 1.00 H new ATOM 0 HB3 TRP A 968 68.445 -11.655 6.862 1.00 1.00 H new ATOM 0 HD1 TRP A 968 67.704 -15.170 6.930 1.00 1.00 H new ATOM 0 HE1 TRP A 968 67.283 -16.085 9.307 1.00 1.00 H new ATOM 0 HE3 TRP A 968 67.019 -10.740 9.374 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 66.710 -14.998 11.918 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 66.536 -10.708 11.805 1.00 1.00 H new ATOM 0 HH2 TRP A 968 66.378 -12.829 13.078 1.00 1.00 H new ATOM 203 N VAL A 969 66.219 -11.507 3.963 1.00 1.00 N ATOM 204 CA VAL A 969 66.307 -10.831 2.673 1.00 1.00 C ATOM 205 C VAL A 969 65.240 -9.744 2.602 1.00 1.00 C ATOM 206 O VAL A 969 65.499 -8.614 2.184 1.00 1.00 O ATOM 207 CB VAL A 969 66.101 -11.831 1.535 1.00 1.00 C ATOM 208 CG1 VAL A 969 65.993 -11.077 0.208 1.00 1.00 C ATOM 209 CG2 VAL A 969 67.290 -12.791 1.480 1.00 1.00 C ATOM 0 H VAL A 969 65.962 -12.493 3.922 1.00 1.00 H new ATOM 0 HA VAL A 969 67.296 -10.384 2.570 1.00 1.00 H new ATOM 0 HB VAL A 969 65.185 -12.396 1.708 1.00 1.00 H new ATOM 0 HG11 VAL A 969 65.846 -11.789 -0.604 1.00 1.00 H new ATOM 0 HG12 VAL A 969 65.147 -10.391 0.247 1.00 1.00 H new ATOM 0 HG13 VAL A 969 66.909 -10.513 0.035 1.00 1.00 H new ATOM 0 HG21 VAL A 969 67.144 -13.505 0.669 1.00 1.00 H new ATOM 0 HG22 VAL A 969 68.206 -12.226 1.306 1.00 1.00 H new ATOM 0 HG23 VAL A 969 67.368 -13.328 2.426 1.00 1.00 H new ATOM 219 N LEU A 970 64.039 -10.118 3.025 1.00 1.00 N ATOM 220 CA LEU A 970 62.909 -9.198 3.023 1.00 1.00 C ATOM 221 C LEU A 970 63.186 -8.018 3.951 1.00 1.00 C ATOM 222 O LEU A 970 62.892 -6.872 3.610 1.00 1.00 O ATOM 223 CB LEU A 970 61.639 -9.934 3.476 1.00 1.00 C ATOM 224 CG LEU A 970 60.441 -8.974 3.501 1.00 1.00 C ATOM 225 CD1 LEU A 970 60.237 -8.350 2.118 1.00 1.00 C ATOM 226 CD2 LEU A 970 59.182 -9.751 3.891 1.00 1.00 C ATOM 0 H LEU A 970 63.823 -11.052 3.374 1.00 1.00 H new ATOM 0 HA LEU A 970 62.763 -8.820 2.011 1.00 1.00 H new ATOM 0 HB2 LEU A 970 61.433 -10.765 2.801 1.00 1.00 H new ATOM 0 HB3 LEU A 970 61.792 -10.359 4.468 1.00 1.00 H new ATOM 0 HG LEU A 970 60.633 -8.183 4.226 1.00 1.00 H new ATOM 0 HD11 LEU A 970 59.385 -7.671 2.147 1.00 1.00 H new ATOM 0 HD12 LEU A 970 61.132 -7.797 1.833 1.00 1.00 H new ATOM 0 HD13 LEU A 970 60.049 -9.137 1.388 1.00 1.00 H new ATOM 0 HD21 LEU A 970 58.328 -9.074 3.910 1.00 1.00 H new ATOM 0 HD22 LEU A 970 59.002 -10.541 3.162 1.00 1.00 H new ATOM 0 HD23 LEU A 970 59.318 -10.192 4.879 1.00 1.00 H new ATOM 238 N VAL A 971 63.740 -8.300 5.127 1.00 1.00 N ATOM 239 CA VAL A 971 64.038 -7.254 6.101 1.00 1.00 C ATOM 240 C VAL A 971 65.071 -6.270 5.560 1.00 1.00 C ATOM 241 O VAL A 971 64.921 -5.057 5.710 1.00 1.00 O ATOM 242 CB VAL A 971 64.559 -7.882 7.394 1.00 1.00 C ATOM 243 CG1 VAL A 971 65.063 -6.781 8.332 1.00 1.00 C ATOM 244 CG2 VAL A 971 63.425 -8.652 8.074 1.00 1.00 C ATOM 0 H VAL A 971 63.991 -9.242 5.428 1.00 1.00 H new ATOM 0 HA VAL A 971 63.116 -6.708 6.300 1.00 1.00 H new ATOM 0 HB VAL A 971 65.378 -8.563 7.164 1.00 1.00 H new ATOM 0 HG11 VAL A 971 65.434 -7.230 9.253 1.00 1.00 H new ATOM 0 HG12 VAL A 971 65.869 -6.230 7.847 1.00 1.00 H new ATOM 0 HG13 VAL A 971 64.245 -6.099 8.564 1.00 1.00 H new ATOM 0 HG21 VAL A 971 63.792 -9.101 8.997 1.00 1.00 H new ATOM 0 HG22 VAL A 971 62.608 -7.968 8.304 1.00 1.00 H new ATOM 0 HG23 VAL A 971 63.066 -9.435 7.407 1.00 1.00 H new ATOM 254 N GLY A 972 66.131 -6.798 4.952 1.00 1.00 N ATOM 255 CA GLY A 972 67.189 -5.943 4.420 1.00 1.00 C ATOM 256 C GLY A 972 66.655 -5.009 3.342 1.00 1.00 C ATOM 257 O GLY A 972 67.056 -3.849 3.260 1.00 1.00 O ATOM 0 H GLY A 972 66.279 -7.798 4.817 1.00 1.00 H new ATOM 0 HA2 GLY A 972 67.627 -5.357 5.228 1.00 1.00 H new ATOM 0 HA3 GLY A 972 67.986 -6.561 4.007 1.00 1.00 H new ATOM 261 N VAL A 973 65.758 -5.523 2.513 1.00 1.00 N ATOM 262 CA VAL A 973 65.184 -4.726 1.439 1.00 1.00 C ATOM 263 C VAL A 973 64.414 -3.541 2.007 1.00 1.00 C ATOM 264 O VAL A 973 64.546 -2.420 1.517 1.00 1.00 O ATOM 265 CB VAL A 973 64.248 -5.586 0.589 1.00 1.00 C ATOM 266 CG1 VAL A 973 63.491 -4.695 -0.398 1.00 1.00 C ATOM 267 CG2 VAL A 973 65.069 -6.620 -0.186 1.00 1.00 C ATOM 0 H VAL A 973 65.414 -6.482 2.563 1.00 1.00 H new ATOM 0 HA VAL A 973 65.997 -4.353 0.816 1.00 1.00 H new ATOM 0 HB VAL A 973 63.536 -6.097 1.237 1.00 1.00 H new ATOM 0 HG11 VAL A 973 62.824 -5.308 -1.004 1.00 1.00 H new ATOM 0 HG12 VAL A 973 62.907 -3.957 0.152 1.00 1.00 H new ATOM 0 HG13 VAL A 973 64.203 -4.184 -1.046 1.00 1.00 H new ATOM 0 HG21 VAL A 973 64.403 -7.234 -0.792 1.00 1.00 H new ATOM 0 HG22 VAL A 973 65.781 -6.108 -0.834 1.00 1.00 H new ATOM 0 HG23 VAL A 973 65.609 -7.256 0.516 1.00 1.00 H new ATOM 277 N LEU A 974 63.605 -3.787 3.031 1.00 1.00 N ATOM 278 CA LEU A 974 62.823 -2.717 3.634 1.00 1.00 C ATOM 279 C LEU A 974 63.723 -1.648 4.256 1.00 1.00 C ATOM 280 O LEU A 974 63.465 -0.453 4.120 1.00 1.00 O ATOM 281 CB LEU A 974 61.899 -3.293 4.710 1.00 1.00 C ATOM 282 CG LEU A 974 60.803 -4.137 4.052 1.00 1.00 C ATOM 283 CD1 LEU A 974 60.032 -4.895 5.132 1.00 1.00 C ATOM 284 CD2 LEU A 974 59.835 -3.241 3.265 1.00 1.00 C ATOM 0 H LEU A 974 63.475 -4.705 3.456 1.00 1.00 H new ATOM 0 HA LEU A 974 62.232 -2.250 2.846 1.00 1.00 H new ATOM 0 HB2 LEU A 974 62.473 -3.904 5.407 1.00 1.00 H new ATOM 0 HB3 LEU A 974 61.451 -2.485 5.289 1.00 1.00 H new ATOM 0 HG LEU A 974 61.266 -4.843 3.362 1.00 1.00 H new ATOM 0 HD11 LEU A 974 59.251 -5.497 4.667 1.00 1.00 H new ATOM 0 HD12 LEU A 974 60.715 -5.546 5.678 1.00 1.00 H new ATOM 0 HD13 LEU A 974 59.579 -4.184 5.823 1.00 1.00 H new ATOM 0 HD21 LEU A 974 59.063 -3.857 2.804 1.00 1.00 H new ATOM 0 HD22 LEU A 974 59.371 -2.524 3.942 1.00 1.00 H new ATOM 0 HD23 LEU A 974 60.383 -2.706 2.490 1.00 1.00 H new ATOM 296 N GLY A 975 64.774 -2.086 4.945 1.00 1.00 N ATOM 297 CA GLY A 975 65.692 -1.146 5.591 1.00 1.00 C ATOM 298 C GLY A 975 66.445 -0.295 4.569 1.00 1.00 C ATOM 299 O GLY A 975 66.576 0.919 4.736 1.00 1.00 O ATOM 0 H GLY A 975 65.011 -3.070 5.071 1.00 1.00 H new ATOM 0 HA2 GLY A 975 65.133 -0.496 6.264 1.00 1.00 H new ATOM 0 HA3 GLY A 975 66.407 -1.698 6.202 1.00 1.00 H new ATOM 303 N GLY A 976 66.931 -0.934 3.512 1.00 1.00 N ATOM 304 CA GLY A 976 67.660 -0.215 2.473 1.00 1.00 C ATOM 305 C GLY A 976 66.760 0.816 1.781 1.00 1.00 C ATOM 306 O GLY A 976 67.174 1.951 1.548 1.00 1.00 O ATOM 0 H GLY A 976 66.836 -1.937 3.352 1.00 1.00 H new ATOM 0 HA2 GLY A 976 68.523 0.287 2.911 1.00 1.00 H new ATOM 0 HA3 GLY A 976 68.042 -0.922 1.736 1.00 1.00 H new ATOM 310 N LEU A 977 65.528 0.421 1.469 1.00 1.00 N ATOM 311 CA LEU A 977 64.575 1.333 0.816 1.00 1.00 C ATOM 312 C LEU A 977 64.253 2.527 1.728 1.00 1.00 C ATOM 313 O LEU A 977 64.164 3.660 1.259 1.00 1.00 O ATOM 314 CB LEU A 977 63.283 0.575 0.474 1.00 1.00 C ATOM 315 CG LEU A 977 62.266 1.511 -0.196 1.00 1.00 C ATOM 316 CD1 LEU A 977 62.877 2.130 -1.455 1.00 1.00 C ATOM 317 CD2 LEU A 977 61.021 0.705 -0.580 1.00 1.00 C ATOM 0 H LEU A 977 65.163 -0.513 1.653 1.00 1.00 H new ATOM 0 HA LEU A 977 65.028 1.711 -0.100 1.00 1.00 H new ATOM 0 HB2 LEU A 977 63.510 -0.259 -0.190 1.00 1.00 H new ATOM 0 HB3 LEU A 977 62.853 0.152 1.382 1.00 1.00 H new ATOM 0 HG LEU A 977 61.995 2.307 0.498 1.00 1.00 H new ATOM 0 HD11 LEU A 977 62.150 2.792 -1.924 1.00 1.00 H new ATOM 0 HD12 LEU A 977 63.766 2.700 -1.185 1.00 1.00 H new ATOM 0 HD13 LEU A 977 63.151 1.339 -2.153 1.00 1.00 H new ATOM 0 HD21 LEU A 977 60.294 1.363 -1.056 1.00 1.00 H new ATOM 0 HD22 LEU A 977 61.301 -0.089 -1.273 1.00 1.00 H new ATOM 0 HD23 LEU A 977 60.581 0.266 0.316 1.00 1.00 H new ATOM 329 N LEU A 978 64.068 2.275 3.015 1.00 1.00 N ATOM 330 CA LEU A 978 63.749 3.366 3.947 1.00 1.00 C ATOM 331 C LEU A 978 64.898 4.380 3.981 1.00 1.00 C ATOM 332 O LEU A 978 64.673 5.594 3.984 1.00 1.00 O ATOM 333 CB LEU A 978 63.519 2.791 5.354 1.00 1.00 C ATOM 334 CG LEU A 978 63.205 3.912 6.352 1.00 1.00 C ATOM 335 CD1 LEU A 978 61.981 4.695 5.889 1.00 1.00 C ATOM 336 CD2 LEU A 978 62.914 3.299 7.721 1.00 1.00 C ATOM 0 H LEU A 978 64.129 1.349 3.439 1.00 1.00 H new ATOM 0 HA LEU A 978 62.843 3.870 3.611 1.00 1.00 H new ATOM 0 HB2 LEU A 978 62.696 2.077 5.331 1.00 1.00 H new ATOM 0 HB3 LEU A 978 64.405 2.246 5.679 1.00 1.00 H new ATOM 0 HG LEU A 978 64.061 4.584 6.415 1.00 1.00 H new ATOM 0 HD11 LEU A 978 61.765 5.489 6.604 1.00 1.00 H new ATOM 0 HD12 LEU A 978 62.177 5.132 4.910 1.00 1.00 H new ATOM 0 HD13 LEU A 978 61.124 4.025 5.822 1.00 1.00 H new ATOM 0 HD21 LEU A 978 62.690 4.092 8.435 1.00 1.00 H new ATOM 0 HD22 LEU A 978 62.059 2.627 7.645 1.00 1.00 H new ATOM 0 HD23 LEU A 978 63.785 2.740 8.062 1.00 1.00 H new ATOM 348 N LEU A 979 66.119 3.881 4.000 1.00 1.00 N ATOM 349 CA LEU A 979 67.259 4.792 4.032 1.00 1.00 C ATOM 350 C LEU A 979 67.253 5.675 2.777 1.00 1.00 C ATOM 351 O LEU A 979 67.525 6.874 2.863 1.00 1.00 O ATOM 352 CB LEU A 979 68.566 3.997 4.094 1.00 1.00 C ATOM 353 CG LEU A 979 68.670 3.300 5.452 1.00 1.00 C ATOM 354 CD1 LEU A 979 69.849 2.328 5.440 1.00 1.00 C ATOM 355 CD2 LEU A 979 68.880 4.326 6.568 1.00 1.00 C ATOM 0 H LEU A 979 66.349 2.887 3.994 1.00 1.00 H new ATOM 0 HA LEU A 979 67.183 5.422 4.918 1.00 1.00 H new ATOM 0 HB2 LEU A 979 68.595 3.260 3.291 1.00 1.00 H new ATOM 0 HB3 LEU A 979 69.417 4.662 3.948 1.00 1.00 H new ATOM 0 HG LEU A 979 67.742 2.759 5.636 1.00 1.00 H new ATOM 0 HD11 LEU A 979 69.922 1.832 6.408 1.00 1.00 H new ATOM 0 HD12 LEU A 979 69.697 1.581 4.661 1.00 1.00 H new ATOM 0 HD13 LEU A 979 70.770 2.876 5.243 1.00 1.00 H new ATOM 0 HD21 LEU A 979 68.952 3.812 7.526 1.00 1.00 H new ATOM 0 HD22 LEU A 979 69.800 4.880 6.384 1.00 1.00 H new ATOM 0 HD23 LEU A 979 68.038 5.018 6.590 1.00 1.00 H new ATOM 367 N LEU A 980 66.940 5.097 1.625 1.00 1.00 N ATOM 368 CA LEU A 980 66.911 5.876 0.383 1.00 1.00 C ATOM 369 C LEU A 980 65.853 6.990 0.445 1.00 1.00 C ATOM 370 O LEU A 980 66.066 8.094 -0.066 1.00 1.00 O ATOM 371 CB LEU A 980 66.591 4.977 -0.812 1.00 1.00 C ATOM 372 CG LEU A 980 67.758 4.036 -1.125 1.00 1.00 C ATOM 373 CD1 LEU A 980 67.314 3.048 -2.211 1.00 1.00 C ATOM 374 CD2 LEU A 980 68.966 4.849 -1.620 1.00 1.00 C ATOM 0 H LEU A 980 66.706 4.110 1.519 1.00 1.00 H new ATOM 0 HA LEU A 980 67.899 6.320 0.264 1.00 1.00 H new ATOM 0 HB2 LEU A 980 65.695 4.392 -0.601 1.00 1.00 H new ATOM 0 HB3 LEU A 980 66.372 5.592 -1.685 1.00 1.00 H new ATOM 0 HG LEU A 980 68.048 3.492 -0.226 1.00 1.00 H new ATOM 0 HD11 LEU A 980 68.136 2.371 -2.445 1.00 1.00 H new ATOM 0 HD12 LEU A 980 66.460 2.473 -1.853 1.00 1.00 H new ATOM 0 HD13 LEU A 980 67.030 3.597 -3.109 1.00 1.00 H new ATOM 0 HD21 LEU A 980 69.793 4.174 -1.841 1.00 1.00 H new ATOM 0 HD22 LEU A 980 68.692 5.395 -2.523 1.00 1.00 H new ATOM 0 HD23 LEU A 980 69.271 5.555 -0.848 1.00 1.00 H new ATOM 386 N THR A 981 64.704 6.692 1.040 1.00 1.00 N ATOM 387 CA THR A 981 63.638 7.687 1.113 1.00 1.00 C ATOM 388 C THR A 981 64.096 8.892 1.934 1.00 1.00 C ATOM 389 O THR A 981 63.914 10.030 1.518 1.00 1.00 O ATOM 390 CB THR A 981 62.399 7.073 1.754 1.00 1.00 C ATOM 391 OG1 THR A 981 62.132 5.811 1.154 1.00 1.00 O ATOM 392 CG2 THR A 981 61.206 7.997 1.533 1.00 1.00 C ATOM 0 H THR A 981 64.488 5.793 1.470 1.00 1.00 H new ATOM 0 HA THR A 981 63.397 8.016 0.102 1.00 1.00 H new ATOM 0 HB THR A 981 62.569 6.941 2.823 1.00 1.00 H new ATOM 0 HG1 THR A 981 61.336 5.414 1.567 1.00 1.00 H new ATOM 0 HG21 THR A 981 60.318 7.561 1.990 1.00 1.00 H new ATOM 0 HG22 THR A 981 61.408 8.967 1.987 1.00 1.00 H new ATOM 0 HG23 THR A 981 61.038 8.125 0.464 1.00 1.00 H new ATOM 400 N ILE A 982 64.692 8.646 3.097 1.00 1.00 N ATOM 401 CA ILE A 982 65.156 9.743 3.953 1.00 1.00 C ATOM 402 C ILE A 982 66.215 10.578 3.249 1.00 1.00 C ATOM 403 O ILE A 982 66.212 11.810 3.375 1.00 1.00 O ATOM 404 CB ILE A 982 65.717 9.196 5.248 1.00 1.00 C ATOM 405 CG1 ILE A 982 64.589 8.565 6.050 1.00 1.00 C ATOM 406 CG2 ILE A 982 66.336 10.336 6.065 1.00 1.00 C ATOM 407 CD1 ILE A 982 65.200 7.752 7.184 1.00 1.00 C ATOM 0 H ILE A 982 64.865 7.712 3.468 1.00 1.00 H new ATOM 0 HA ILE A 982 64.300 10.382 4.171 1.00 1.00 H new ATOM 0 HB ILE A 982 66.482 8.451 5.027 1.00 1.00 H new ATOM 0 HG12 ILE A 982 63.930 9.336 6.449 1.00 1.00 H new ATOM 0 HG13 ILE A 982 63.981 7.926 5.410 1.00 1.00 H new ATOM 0 HG21 ILE A 982 66.739 9.939 6.997 1.00 1.00 H new ATOM 0 HG22 ILE A 982 67.138 10.801 5.492 1.00 1.00 H new ATOM 0 HG23 ILE A 982 65.572 11.080 6.288 1.00 1.00 H new ATOM 0 HD11 ILE A 982 64.405 7.291 7.771 1.00 1.00 H new ATOM 0 HD12 ILE A 982 65.842 6.975 6.770 1.00 1.00 H new ATOM 0 HD13 ILE A 982 65.791 8.407 7.824 1.00 1.00 H new ATOM 419 N LEU A 983 67.156 9.930 2.558 1.00 1.00 N ATOM 420 CA LEU A 983 68.200 10.696 1.885 1.00 1.00 C ATOM 421 C LEU A 983 67.627 11.556 0.759 1.00 1.00 C ATOM 422 O LEU A 983 68.037 12.704 0.583 1.00 1.00 O ATOM 423 CB LEU A 983 69.294 9.776 1.322 1.00 1.00 C ATOM 424 CG LEU A 983 70.129 9.184 2.463 1.00 1.00 C ATOM 425 CD1 LEU A 983 71.049 8.086 1.904 1.00 1.00 C ATOM 426 CD2 LEU A 983 70.997 10.274 3.114 1.00 1.00 C ATOM 0 H LEU A 983 67.216 8.917 2.453 1.00 1.00 H new ATOM 0 HA LEU A 983 68.642 11.352 2.635 1.00 1.00 H new ATOM 0 HB2 LEU A 983 68.840 8.974 0.740 1.00 1.00 H new ATOM 0 HB3 LEU A 983 69.937 10.337 0.644 1.00 1.00 H new ATOM 0 HG LEU A 983 69.454 8.768 3.211 1.00 1.00 H new ATOM 0 HD11 LEU A 983 71.644 7.663 2.713 1.00 1.00 H new ATOM 0 HD12 LEU A 983 70.444 7.301 1.450 1.00 1.00 H new ATOM 0 HD13 LEU A 983 71.712 8.514 1.152 1.00 1.00 H new ATOM 0 HD21 LEU A 983 71.584 9.837 3.922 1.00 1.00 H new ATOM 0 HD22 LEU A 983 71.668 10.699 2.367 1.00 1.00 H new ATOM 0 HD23 LEU A 983 70.356 11.059 3.514 1.00 1.00 H new ATOM 438 N VAL A 984 66.709 10.993 -0.020 1.00 1.00 N ATOM 439 CA VAL A 984 66.122 11.708 -1.146 1.00 1.00 C ATOM 440 C VAL A 984 65.353 12.943 -0.669 1.00 1.00 C ATOM 441 O VAL A 984 65.460 14.030 -1.254 1.00 1.00 O ATOM 442 CB VAL A 984 65.171 10.777 -1.903 1.00 1.00 C ATOM 443 CG1 VAL A 984 64.373 11.583 -2.923 1.00 1.00 C ATOM 444 CG2 VAL A 984 65.970 9.700 -2.638 1.00 1.00 C ATOM 0 H VAL A 984 66.356 10.045 0.108 1.00 1.00 H new ATOM 0 HA VAL A 984 66.927 12.034 -1.805 1.00 1.00 H new ATOM 0 HB VAL A 984 64.495 10.306 -1.189 1.00 1.00 H new ATOM 0 HG11 VAL A 984 63.696 10.920 -3.462 1.00 1.00 H new ATOM 0 HG12 VAL A 984 63.795 12.351 -2.408 1.00 1.00 H new ATOM 0 HG13 VAL A 984 65.056 12.055 -3.629 1.00 1.00 H new ATOM 0 HG21 VAL A 984 65.286 9.042 -3.174 1.00 1.00 H new ATOM 0 HG22 VAL A 984 66.650 10.172 -3.347 1.00 1.00 H new ATOM 0 HG23 VAL A 984 66.544 9.118 -1.917 1.00 1.00 H new ATOM 454 N LEU A 985 64.571 12.771 0.392 1.00 1.00 N ATOM 455 CA LEU A 985 63.786 13.894 0.930 1.00 1.00 C ATOM 456 C LEU A 985 64.725 14.985 1.473 1.00 1.00 C ATOM 457 O LEU A 985 64.474 16.188 1.301 1.00 1.00 O ATOM 458 CB LEU A 985 62.854 13.419 2.053 1.00 1.00 C ATOM 459 CG LEU A 985 61.768 12.496 1.483 1.00 1.00 C ATOM 460 CD1 LEU A 985 60.969 11.894 2.639 1.00 1.00 C ATOM 461 CD2 LEU A 985 60.822 13.285 0.564 1.00 1.00 C ATOM 0 H LEU A 985 64.460 11.889 0.892 1.00 1.00 H new ATOM 0 HA LEU A 985 63.182 14.303 0.120 1.00 1.00 H new ATOM 0 HB2 LEU A 985 63.429 12.891 2.814 1.00 1.00 H new ATOM 0 HB3 LEU A 985 62.393 14.278 2.541 1.00 1.00 H new ATOM 0 HG LEU A 985 62.241 11.704 0.902 1.00 1.00 H new ATOM 0 HD11 LEU A 985 60.195 11.237 2.243 1.00 1.00 H new ATOM 0 HD12 LEU A 985 61.636 11.322 3.283 1.00 1.00 H new ATOM 0 HD13 LEU A 985 60.505 12.694 3.216 1.00 1.00 H new ATOM 0 HD21 LEU A 985 60.058 12.616 0.168 1.00 1.00 H new ATOM 0 HD22 LEU A 985 60.346 14.084 1.132 1.00 1.00 H new ATOM 0 HD23 LEU A 985 61.391 13.715 -0.261 1.00 1.00 H new ATOM 473 N ALA A 986 65.787 14.575 2.159 1.00 1.00 N ATOM 474 CA ALA A 986 66.707 15.558 2.729 1.00 1.00 C ATOM 475 C ALA A 986 67.384 16.384 1.636 1.00 1.00 C ATOM 476 O ALA A 986 67.537 17.599 1.764 1.00 1.00 O ATOM 477 CB ALA A 986 67.775 14.861 3.569 1.00 1.00 C ATOM 0 H ALA A 986 66.030 13.599 2.332 1.00 1.00 H new ATOM 0 HA ALA A 986 66.123 16.227 3.361 1.00 1.00 H new ATOM 0 HB1 ALA A 986 68.453 15.606 3.987 1.00 1.00 H new ATOM 0 HB2 ALA A 986 67.298 14.309 4.379 1.00 1.00 H new ATOM 0 HB3 ALA A 986 68.338 14.170 2.941 1.00 1.00 H new ATOM 483 N MET A 987 67.794 15.717 0.562 1.00 1.00 N ATOM 484 CA MET A 987 68.464 16.412 -0.538 1.00 1.00 C ATOM 485 C MET A 987 67.523 17.398 -1.227 1.00 1.00 C ATOM 486 O MET A 987 67.914 18.522 -1.538 1.00 1.00 O ATOM 487 CB MET A 987 68.991 15.406 -1.559 1.00 1.00 C ATOM 488 CG MET A 987 70.156 14.622 -0.947 1.00 1.00 C ATOM 489 SD MET A 987 70.778 13.418 -2.148 1.00 1.00 S ATOM 490 CE MET A 987 71.868 12.515 -1.020 1.00 1.00 C ATOM 0 H MET A 987 67.678 14.713 0.428 1.00 1.00 H new ATOM 0 HA MET A 987 69.299 16.971 -0.116 1.00 1.00 H new ATOM 0 HB2 MET A 987 68.195 14.723 -1.857 1.00 1.00 H new ATOM 0 HB3 MET A 987 69.320 15.924 -2.460 1.00 1.00 H new ATOM 0 HG2 MET A 987 70.954 15.305 -0.656 1.00 1.00 H new ATOM 0 HG3 MET A 987 69.828 14.111 -0.042 1.00 1.00 H new ATOM 0 HE1 MET A 987 72.365 11.710 -1.561 1.00 1.00 H new ATOM 0 HE2 MET A 987 72.617 13.196 -0.615 1.00 1.00 H new ATOM 0 HE3 MET A 987 71.280 12.095 -0.204 1.00 1.00 H new ATOM 500 N TRP A 988 66.283 16.974 -1.450 1.00 1.00 N ATOM 501 CA TRP A 988 65.295 17.837 -2.093 1.00 1.00 C ATOM 502 C TRP A 988 65.031 19.060 -1.223 1.00 1.00 C ATOM 503 O TRP A 988 64.926 20.174 -1.731 1.00 1.00 O ATOM 504 CB TRP A 988 63.995 17.057 -2.308 1.00 1.00 C ATOM 505 CG TRP A 988 62.879 17.990 -2.672 1.00 1.00 C ATOM 506 CD1 TRP A 988 63.014 19.144 -3.369 1.00 1.00 C ATOM 507 CD2 TRP A 988 61.460 17.865 -2.364 1.00 1.00 C ATOM 508 NE1 TRP A 988 61.767 19.730 -3.510 1.00 1.00 N ATOM 509 CE2 TRP A 988 60.779 18.980 -2.906 1.00 1.00 C ATOM 510 CE3 TRP A 988 60.706 16.900 -1.674 1.00 1.00 C ATOM 511 CZ2 TRP A 988 59.399 19.133 -2.768 1.00 1.00 C ATOM 512 CZ3 TRP A 988 59.316 17.050 -1.533 1.00 1.00 C ATOM 513 CH2 TRP A 988 58.665 18.165 -2.079 1.00 1.00 C ATOM 0 H TRP A 988 65.939 16.047 -1.198 1.00 1.00 H new ATOM 0 HA TRP A 988 65.679 18.167 -3.058 1.00 1.00 H new ATOM 0 HB2 TRP A 988 64.133 16.319 -3.098 1.00 1.00 H new ATOM 0 HB3 TRP A 988 63.738 16.509 -1.401 1.00 1.00 H new ATOM 0 HD1 TRP A 988 63.942 19.542 -3.752 1.00 1.00 H new ATOM 0 HE1 TRP A 988 61.600 20.609 -4.000 1.00 1.00 H new ATOM 0 HE3 TRP A 988 61.198 16.038 -1.249 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 58.902 19.994 -3.191 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 58.746 16.302 -1.001 1.00 1.00 H new ATOM 0 HH2 TRP A 988 57.597 18.275 -1.967 1.00 1.00 H new ATOM 524 N LYS A 989 64.901 18.861 0.077 1.00 1.00 N ATOM 525 CA LYS A 989 64.617 19.970 0.979 1.00 1.00 C ATOM 526 C LYS A 989 65.741 20.998 0.965 1.00 1.00 C ATOM 527 O LYS A 989 65.508 22.198 1.111 1.00 1.00 O ATOM 528 CB LYS A 989 64.426 19.443 2.403 1.00 1.00 C ATOM 529 CG LYS A 989 63.999 20.589 3.324 1.00 1.00 C ATOM 530 CD LYS A 989 63.745 20.050 4.734 1.00 1.00 C ATOM 531 CE LYS A 989 63.307 21.197 5.646 1.00 1.00 C ATOM 532 NZ LYS A 989 63.046 20.673 7.017 1.00 1.00 N ATOM 0 H LYS A 989 64.986 17.952 0.531 1.00 1.00 H new ATOM 0 HA LYS A 989 63.704 20.457 0.637 1.00 1.00 H new ATOM 0 HB2 LYS A 989 63.672 18.656 2.412 1.00 1.00 H new ATOM 0 HB3 LYS A 989 65.354 18.999 2.764 1.00 1.00 H new ATOM 0 HG2 LYS A 989 64.774 21.355 3.351 1.00 1.00 H new ATOM 0 HG3 LYS A 989 63.097 21.062 2.937 1.00 1.00 H new ATOM 0 HD2 LYS A 989 62.976 19.278 4.707 1.00 1.00 H new ATOM 0 HD3 LYS A 989 64.650 19.585 5.126 1.00 1.00 H new ATOM 0 HE2 LYS A 989 64.081 21.964 5.680 1.00 1.00 H new ATOM 0 HE3 LYS A 989 62.408 21.668 5.249 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 62.748 21.454 7.636 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 62.293 19.956 6.977 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 63.914 20.243 7.395 1.00 1.00 H new ATOM 546 N VAL A 990 66.960 20.506 0.797 1.00 1.00 N ATOM 547 CA VAL A 990 68.127 21.373 0.776 1.00 1.00 C ATOM 548 C VAL A 990 68.220 22.075 -0.563 1.00 1.00 C ATOM 549 O VAL A 990 69.106 22.901 -0.782 1.00 1.00 O ATOM 550 CB VAL A 990 69.399 20.553 1.016 1.00 1.00 C ATOM 551 CG1 VAL A 990 70.616 21.481 1.043 1.00 1.00 C ATOM 552 CG2 VAL A 990 69.291 19.819 2.356 1.00 1.00 C ATOM 0 H VAL A 990 67.165 19.515 0.674 1.00 1.00 H new ATOM 0 HA VAL A 990 68.028 22.115 1.568 1.00 1.00 H new ATOM 0 HB VAL A 990 69.515 19.828 0.210 1.00 1.00 H new ATOM 0 HG11 VAL A 990 71.518 20.893 1.214 1.00 1.00 H new ATOM 0 HG12 VAL A 990 70.698 22.002 0.089 1.00 1.00 H new ATOM 0 HG13 VAL A 990 70.500 22.210 1.845 1.00 1.00 H new ATOM 0 HG21 VAL A 990 70.196 19.236 2.526 1.00 1.00 H new ATOM 0 HG22 VAL A 990 69.171 20.545 3.160 1.00 1.00 H new ATOM 0 HG23 VAL A 990 68.429 19.153 2.337 1.00 1.00 H new ATOM 562 N GLY A 991 67.299 21.747 -1.459 1.00 1.00 N ATOM 563 CA GLY A 991 67.286 22.355 -2.770 1.00 1.00 C ATOM 564 C GLY A 991 68.438 21.819 -3.580 1.00 1.00 C ATOM 565 O GLY A 991 68.730 22.336 -4.658 1.00 1.00 O ATOM 0 H GLY A 991 66.557 21.066 -1.297 1.00 1.00 H new ATOM 0 HA2 GLY A 991 66.343 22.142 -3.273 1.00 1.00 H new ATOM 0 HA3 GLY A 991 67.362 23.439 -2.681 1.00 1.00 H new ATOM 569 N PHE A 992 69.122 20.806 -3.067 1.00 1.00 N ATOM 570 CA PHE A 992 70.267 20.256 -3.765 1.00 1.00 C ATOM 571 C PHE A 992 69.821 19.842 -5.166 1.00 1.00 C ATOM 572 O PHE A 992 70.467 20.163 -6.163 1.00 1.00 O ATOM 573 CB PHE A 992 70.777 19.032 -2.984 1.00 1.00 C ATOM 574 CG PHE A 992 72.265 18.781 -3.198 1.00 1.00 C ATOM 575 CD1 PHE A 992 72.929 19.172 -4.374 1.00 1.00 C ATOM 576 CD2 PHE A 992 72.988 18.140 -2.181 1.00 1.00 C ATOM 577 CE1 PHE A 992 74.300 18.921 -4.523 1.00 1.00 C ATOM 578 CE2 PHE A 992 74.356 17.891 -2.334 1.00 1.00 C ATOM 579 CZ PHE A 992 75.012 18.281 -3.504 1.00 1.00 C ATOM 0 H PHE A 992 68.904 20.354 -2.179 1.00 1.00 H new ATOM 0 HA PHE A 992 71.069 20.990 -3.842 1.00 1.00 H new ATOM 0 HB2 PHE A 992 70.586 19.178 -1.921 1.00 1.00 H new ATOM 0 HB3 PHE A 992 70.215 18.150 -3.291 1.00 1.00 H new ATOM 0 HD1 PHE A 992 72.382 19.666 -5.163 1.00 1.00 H new ATOM 0 HD2 PHE A 992 72.485 17.837 -1.274 1.00 1.00 H new ATOM 0 HE1 PHE A 992 74.808 19.223 -5.427 1.00 1.00 H new ATOM 0 HE2 PHE A 992 74.906 17.397 -1.547 1.00 1.00 H new ATOM 0 HZ PHE A 992 76.068 18.088 -3.621 1.00 1.00 H new ATOM 589 N PHE A 993 68.675 19.172 -5.248 1.00 1.00 N ATOM 590 CA PHE A 993 68.147 18.776 -6.548 1.00 1.00 C ATOM 591 C PHE A 993 67.408 19.931 -7.224 1.00 1.00 C ATOM 592 O PHE A 993 67.301 19.962 -8.450 1.00 1.00 O ATOM 593 CB PHE A 993 67.222 17.569 -6.422 1.00 1.00 C ATOM 594 CG PHE A 993 68.056 16.324 -6.238 1.00 1.00 C ATOM 595 CD1 PHE A 993 68.851 15.861 -7.294 1.00 1.00 C ATOM 596 CD2 PHE A 993 68.046 15.638 -5.017 1.00 1.00 C ATOM 597 CE1 PHE A 993 69.632 14.713 -7.132 1.00 1.00 C ATOM 598 CE2 PHE A 993 68.830 14.489 -4.857 1.00 1.00 C ATOM 599 CZ PHE A 993 69.622 14.028 -5.914 1.00 1.00 C ATOM 0 H PHE A 993 68.105 18.897 -4.448 1.00 1.00 H new ATOM 0 HA PHE A 993 68.998 18.500 -7.170 1.00 1.00 H new ATOM 0 HB2 PHE A 993 66.548 17.699 -5.575 1.00 1.00 H new ATOM 0 HB3 PHE A 993 66.601 17.477 -7.313 1.00 1.00 H new ATOM 0 HD1 PHE A 993 68.861 16.392 -8.235 1.00 1.00 H new ATOM 0 HD2 PHE A 993 67.435 15.994 -4.201 1.00 1.00 H new ATOM 0 HE1 PHE A 993 70.243 14.356 -7.948 1.00 1.00 H new ATOM 0 HE2 PHE A 993 68.823 13.958 -3.917 1.00 1.00 H new ATOM 0 HZ PHE A 993 70.226 13.142 -5.789 1.00 1.00 H new ATOM 804 N ASP B 692 77.108 -15.746 7.030 1.00 1.00 N ATOM 805 CA ASP B 692 76.352 -15.233 8.167 1.00 1.00 C ATOM 806 C ASP B 692 75.132 -14.436 7.708 1.00 1.00 C ATOM 807 O ASP B 692 75.192 -13.684 6.735 1.00 1.00 O ATOM 808 CB ASP B 692 77.255 -14.340 9.023 1.00 1.00 C ATOM 809 CG ASP B 692 76.513 -13.875 10.272 1.00 1.00 C ATOM 810 OD1 ASP B 692 75.326 -14.138 10.366 1.00 1.00 O ATOM 811 OD2 ASP B 692 77.144 -13.263 11.118 1.00 1.00 O ATOM 0 HA ASP B 692 76.003 -16.082 8.755 1.00 1.00 H new ATOM 0 HB2 ASP B 692 78.153 -14.887 9.309 1.00 1.00 H new ATOM 0 HB3 ASP B 692 77.579 -13.476 8.442 1.00 1.00 H new ATOM 816 N ILE B 693 74.018 -14.638 8.406 1.00 1.00 N ATOM 817 CA ILE B 693 72.760 -13.977 8.073 1.00 1.00 C ATOM 818 C ILE B 693 72.871 -12.461 8.199 1.00 1.00 C ATOM 819 O ILE B 693 72.383 -11.729 7.337 1.00 1.00 O ATOM 820 CB ILE B 693 71.659 -14.482 9.011 1.00 1.00 C ATOM 821 CG1 ILE B 693 71.357 -15.951 8.700 1.00 1.00 C ATOM 822 CG2 ILE B 693 70.389 -13.649 8.825 1.00 1.00 C ATOM 823 CD1 ILE B 693 70.471 -16.538 9.801 1.00 1.00 C ATOM 0 H ILE B 693 73.961 -15.260 9.213 1.00 1.00 H new ATOM 0 HA ILE B 693 72.518 -14.214 7.037 1.00 1.00 H new ATOM 0 HB ILE B 693 71.999 -14.388 10.042 1.00 1.00 H new ATOM 0 HG12 ILE B 693 70.857 -16.033 7.735 1.00 1.00 H new ATOM 0 HG13 ILE B 693 72.286 -16.516 8.627 1.00 1.00 H new ATOM 0 HG21 ILE B 693 69.612 -14.015 9.496 1.00 1.00 H new ATOM 0 HG22 ILE B 693 70.602 -12.605 9.053 1.00 1.00 H new ATOM 0 HG23 ILE B 693 70.047 -13.733 7.794 1.00 1.00 H new ATOM 0 HD11 ILE B 693 70.257 -17.583 9.578 1.00 1.00 H new ATOM 0 HD12 ILE B 693 70.987 -16.470 10.759 1.00 1.00 H new ATOM 0 HD13 ILE B 693 69.536 -15.980 9.852 1.00 1.00 H new ATOM 835 N LEU B 694 73.502 -11.987 9.266 1.00 1.00 N ATOM 836 CA LEU B 694 73.648 -10.551 9.468 1.00 1.00 C ATOM 837 C LEU B 694 74.464 -9.941 8.334 1.00 1.00 C ATOM 838 O LEU B 694 74.140 -8.867 7.831 1.00 1.00 O ATOM 839 CB LEU B 694 74.342 -10.278 10.805 1.00 1.00 C ATOM 840 CG LEU B 694 73.406 -10.656 11.959 1.00 1.00 C ATOM 841 CD1 LEU B 694 74.176 -10.595 13.278 1.00 1.00 C ATOM 842 CD2 LEU B 694 72.215 -9.688 12.019 1.00 1.00 C ATOM 0 H LEU B 694 73.916 -12.567 9.996 1.00 1.00 H new ATOM 0 HA LEU B 694 72.657 -10.097 9.478 1.00 1.00 H new ATOM 0 HB2 LEU B 694 75.266 -10.853 10.870 1.00 1.00 H new ATOM 0 HB3 LEU B 694 74.616 -9.225 10.876 1.00 1.00 H new ATOM 0 HG LEU B 694 73.032 -11.667 11.794 1.00 1.00 H new ATOM 0 HD11 LEU B 694 73.512 -10.863 14.100 1.00 1.00 H new ATOM 0 HD12 LEU B 694 75.012 -11.294 13.244 1.00 1.00 H new ATOM 0 HD13 LEU B 694 74.554 -9.584 13.432 1.00 1.00 H new ATOM 0 HD21 LEU B 694 71.559 -9.969 12.843 1.00 1.00 H new ATOM 0 HD22 LEU B 694 72.579 -8.672 12.175 1.00 1.00 H new ATOM 0 HD23 LEU B 694 71.660 -9.735 11.082 1.00 1.00 H new ATOM 854 N VAL B 695 75.526 -10.632 7.940 1.00 1.00 N ATOM 855 CA VAL B 695 76.388 -10.147 6.869 1.00 1.00 C ATOM 856 C VAL B 695 75.612 -10.031 5.559 1.00 1.00 C ATOM 857 O VAL B 695 75.718 -9.029 4.850 1.00 1.00 O ATOM 858 CB VAL B 695 77.570 -11.099 6.678 1.00 1.00 C ATOM 859 CG1 VAL B 695 78.347 -10.700 5.422 1.00 1.00 C ATOM 860 CG2 VAL B 695 78.494 -11.015 7.895 1.00 1.00 C ATOM 0 H VAL B 695 75.810 -11.525 8.343 1.00 1.00 H new ATOM 0 HA VAL B 695 76.755 -9.159 7.148 1.00 1.00 H new ATOM 0 HB VAL B 695 77.201 -12.119 6.570 1.00 1.00 H new ATOM 0 HG11 VAL B 695 79.190 -11.378 5.285 1.00 1.00 H new ATOM 0 HG12 VAL B 695 77.690 -10.758 4.554 1.00 1.00 H new ATOM 0 HG13 VAL B 695 78.716 -9.680 5.531 1.00 1.00 H new ATOM 0 HG21 VAL B 695 79.337 -11.693 7.760 1.00 1.00 H new ATOM 0 HG22 VAL B 695 78.863 -9.995 8.002 1.00 1.00 H new ATOM 0 HG23 VAL B 695 77.942 -11.297 8.791 1.00 1.00 H new ATOM 870 N VAL B 696 74.826 -11.054 5.242 1.00 1.00 N ATOM 871 CA VAL B 696 74.038 -11.038 4.015 1.00 1.00 C ATOM 872 C VAL B 696 73.011 -9.909 4.049 1.00 1.00 C ATOM 873 O VAL B 696 72.830 -9.190 3.068 1.00 1.00 O ATOM 874 CB VAL B 696 73.320 -12.376 3.837 1.00 1.00 C ATOM 875 CG1 VAL B 696 72.338 -12.277 2.668 1.00 1.00 C ATOM 876 CG2 VAL B 696 74.349 -13.470 3.546 1.00 1.00 C ATOM 0 H VAL B 696 74.718 -11.895 5.809 1.00 1.00 H new ATOM 0 HA VAL B 696 74.714 -10.873 3.176 1.00 1.00 H new ATOM 0 HB VAL B 696 72.775 -12.621 4.749 1.00 1.00 H new ATOM 0 HG11 VAL B 696 71.826 -13.231 2.541 1.00 1.00 H new ATOM 0 HG12 VAL B 696 71.605 -11.497 2.873 1.00 1.00 H new ATOM 0 HG13 VAL B 696 72.882 -12.033 1.756 1.00 1.00 H new ATOM 0 HG21 VAL B 696 73.839 -14.425 3.419 1.00 1.00 H new ATOM 0 HG22 VAL B 696 74.893 -13.225 2.634 1.00 1.00 H new ATOM 0 HG23 VAL B 696 75.050 -13.541 4.378 1.00 1.00 H new ATOM 886 N LEU B 697 72.324 -9.772 5.176 1.00 1.00 N ATOM 887 CA LEU B 697 71.303 -8.740 5.316 1.00 1.00 C ATOM 888 C LEU B 697 71.903 -7.340 5.193 1.00 1.00 C ATOM 889 O LEU B 697 71.336 -6.470 4.531 1.00 1.00 O ATOM 890 CB LEU B 697 70.609 -8.887 6.675 1.00 1.00 C ATOM 891 CG LEU B 697 69.516 -7.816 6.826 1.00 1.00 C ATOM 892 CD1 LEU B 697 68.509 -8.271 7.883 1.00 1.00 C ATOM 893 CD2 LEU B 697 70.112 -6.459 7.247 1.00 1.00 C ATOM 0 H LEU B 697 72.453 -10.357 6.001 1.00 1.00 H new ATOM 0 HA LEU B 697 70.578 -8.868 4.512 1.00 1.00 H new ATOM 0 HB2 LEU B 697 70.170 -9.881 6.763 1.00 1.00 H new ATOM 0 HB3 LEU B 697 71.339 -8.789 7.478 1.00 1.00 H new ATOM 0 HG LEU B 697 69.027 -7.690 5.860 1.00 1.00 H new ATOM 0 HD11 LEU B 697 67.732 -7.515 7.994 1.00 1.00 H new ATOM 0 HD12 LEU B 697 68.057 -9.213 7.573 1.00 1.00 H new ATOM 0 HD13 LEU B 697 69.019 -8.409 8.836 1.00 1.00 H new ATOM 0 HD21 LEU B 697 69.312 -5.725 7.345 1.00 1.00 H new ATOM 0 HD22 LEU B 697 70.624 -6.567 8.203 1.00 1.00 H new ATOM 0 HD23 LEU B 697 70.822 -6.123 6.491 1.00 1.00 H new ATOM 905 N LEU B 698 73.053 -7.128 5.826 1.00 1.00 N ATOM 906 CA LEU B 698 73.716 -5.828 5.766 1.00 1.00 C ATOM 907 C LEU B 698 74.134 -5.513 4.338 1.00 1.00 C ATOM 908 O LEU B 698 73.979 -4.387 3.865 1.00 1.00 O ATOM 909 CB LEU B 698 74.941 -5.809 6.683 1.00 1.00 C ATOM 910 CG LEU B 698 74.489 -5.819 8.149 1.00 1.00 C ATOM 911 CD1 LEU B 698 75.699 -6.056 9.054 1.00 1.00 C ATOM 912 CD2 LEU B 698 73.837 -4.477 8.516 1.00 1.00 C ATOM 0 H LEU B 698 73.541 -7.831 6.381 1.00 1.00 H new ATOM 0 HA LEU B 698 73.012 -5.068 6.104 1.00 1.00 H new ATOM 0 HB2 LEU B 698 75.572 -6.674 6.481 1.00 1.00 H new ATOM 0 HB3 LEU B 698 75.543 -4.922 6.484 1.00 1.00 H new ATOM 0 HG LEU B 698 73.760 -6.618 8.287 1.00 1.00 H new ATOM 0 HD11 LEU B 698 75.378 -6.063 10.096 1.00 1.00 H new ATOM 0 HD12 LEU B 698 76.155 -7.015 8.808 1.00 1.00 H new ATOM 0 HD13 LEU B 698 76.427 -5.259 8.904 1.00 1.00 H new ATOM 0 HD21 LEU B 698 73.521 -4.499 9.559 1.00 1.00 H new ATOM 0 HD22 LEU B 698 74.557 -3.671 8.372 1.00 1.00 H new ATOM 0 HD23 LEU B 698 72.970 -4.307 7.878 1.00 1.00 H new ATOM 924 N SER B 699 74.665 -6.518 3.657 1.00 1.00 N ATOM 925 CA SER B 699 75.105 -6.352 2.282 1.00 1.00 C ATOM 926 C SER B 699 73.935 -5.983 1.373 1.00 1.00 C ATOM 927 O SER B 699 74.087 -5.179 0.454 1.00 1.00 O ATOM 928 CB SER B 699 75.765 -7.646 1.810 1.00 1.00 C ATOM 929 OG SER B 699 74.860 -8.723 2.006 1.00 1.00 O ATOM 0 H SER B 699 74.801 -7.456 4.035 1.00 1.00 H new ATOM 0 HA SER B 699 75.827 -5.536 2.235 1.00 1.00 H new ATOM 0 HB2 SER B 699 76.036 -7.568 0.757 1.00 1.00 H new ATOM 0 HB3 SER B 699 76.687 -7.823 2.364 1.00 1.00 H new ATOM 0 HG SER B 699 74.130 -8.434 2.593 1.00 1.00 H new ATOM 935 N VAL B 700 72.764 -6.556 1.639 1.00 1.00 N ATOM 936 CA VAL B 700 71.581 -6.253 0.835 1.00 1.00 C ATOM 937 C VAL B 700 71.208 -4.783 0.993 1.00 1.00 C ATOM 938 O VAL B 700 70.926 -4.092 0.018 1.00 1.00 O ATOM 939 CB VAL B 700 70.410 -7.132 1.275 1.00 1.00 C ATOM 940 CG1 VAL B 700 69.132 -6.665 0.577 1.00 1.00 C ATOM 941 CG2 VAL B 700 70.695 -8.587 0.897 1.00 1.00 C ATOM 0 H VAL B 700 72.608 -7.224 2.394 1.00 1.00 H new ATOM 0 HA VAL B 700 71.805 -6.455 -0.212 1.00 1.00 H new ATOM 0 HB VAL B 700 70.283 -7.055 2.355 1.00 1.00 H new ATOM 0 HG11 VAL B 700 68.297 -7.291 0.890 1.00 1.00 H new ATOM 0 HG12 VAL B 700 68.929 -5.628 0.845 1.00 1.00 H new ATOM 0 HG13 VAL B 700 69.258 -6.742 -0.503 1.00 1.00 H new ATOM 0 HG21 VAL B 700 69.861 -9.214 1.210 1.00 1.00 H new ATOM 0 HG22 VAL B 700 70.822 -8.664 -0.183 1.00 1.00 H new ATOM 0 HG23 VAL B 700 71.606 -8.920 1.394 1.00 1.00 H new ATOM 951 N MET B 701 71.227 -4.317 2.234 1.00 1.00 N ATOM 952 CA MET B 701 70.898 -2.924 2.516 1.00 1.00 C ATOM 953 C MET B 701 71.887 -2.004 1.816 1.00 1.00 C ATOM 954 O MET B 701 71.497 -0.976 1.262 1.00 1.00 O ATOM 955 CB MET B 701 70.889 -2.649 4.021 1.00 1.00 C ATOM 956 CG MET B 701 69.581 -3.160 4.625 1.00 1.00 C ATOM 957 SD MET B 701 69.637 -2.995 6.428 1.00 1.00 S ATOM 958 CE MET B 701 69.576 -1.187 6.510 1.00 1.00 C ATOM 0 H MET B 701 71.464 -4.875 3.055 1.00 1.00 H new ATOM 0 HA MET B 701 69.896 -2.728 2.135 1.00 1.00 H new ATOM 0 HB2 MET B 701 71.738 -3.141 4.496 1.00 1.00 H new ATOM 0 HB3 MET B 701 70.995 -1.580 4.207 1.00 1.00 H new ATOM 0 HG2 MET B 701 68.739 -2.596 4.224 1.00 1.00 H new ATOM 0 HG3 MET B 701 69.425 -4.203 4.350 1.00 1.00 H new ATOM 0 HE1 MET B 701 69.036 -0.881 7.406 1.00 1.00 H new ATOM 0 HE2 MET B 701 70.591 -0.790 6.545 1.00 1.00 H new ATOM 0 HE3 MET B 701 69.065 -0.800 5.628 1.00 1.00 H new ATOM 968 N GLY B 702 73.160 -2.383 1.804 1.00 1.00 N ATOM 969 CA GLY B 702 74.167 -1.583 1.122 1.00 1.00 C ATOM 970 C GLY B 702 73.891 -1.570 -0.380 1.00 1.00 C ATOM 971 O GLY B 702 74.013 -0.537 -1.037 1.00 1.00 O ATOM 0 H GLY B 702 73.515 -3.228 2.253 1.00 1.00 H new ATOM 0 HA2 GLY B 702 74.160 -0.565 1.511 1.00 1.00 H new ATOM 0 HA3 GLY B 702 75.159 -1.990 1.315 1.00 1.00 H new ATOM 975 N ALA B 703 73.526 -2.735 -0.918 1.00 1.00 N ATOM 976 CA ALA B 703 73.242 -2.855 -2.345 1.00 1.00 C ATOM 977 C ALA B 703 72.060 -1.974 -2.730 1.00 1.00 C ATOM 978 O ALA B 703 72.065 -1.343 -3.787 1.00 1.00 O ATOM 979 CB ALA B 703 72.935 -4.312 -2.699 1.00 1.00 C ATOM 0 H ALA B 703 73.421 -3.601 -0.390 1.00 1.00 H new ATOM 0 HA ALA B 703 74.121 -2.527 -2.900 1.00 1.00 H new ATOM 0 HB1 ALA B 703 72.725 -4.391 -3.766 1.00 1.00 H new ATOM 0 HB2 ALA B 703 73.794 -4.935 -2.452 1.00 1.00 H new ATOM 0 HB3 ALA B 703 72.067 -4.649 -2.132 1.00 1.00 H new ATOM 985 N ILE B 704 71.062 -1.909 -1.855 1.00 1.00 N ATOM 986 CA ILE B 704 69.907 -1.064 -2.128 1.00 1.00 C ATOM 987 C ILE B 704 70.349 0.385 -2.209 1.00 1.00 C ATOM 988 O ILE B 704 69.911 1.124 -3.087 1.00 1.00 O ATOM 989 CB ILE B 704 68.849 -1.181 -1.025 1.00 1.00 C ATOM 990 CG1 ILE B 704 68.183 -2.568 -1.018 1.00 1.00 C ATOM 991 CG2 ILE B 704 67.786 -0.097 -1.209 1.00 1.00 C ATOM 992 CD1 ILE B 704 67.536 -2.879 -2.375 1.00 1.00 C ATOM 0 H ILE B 704 71.028 -2.418 -0.972 1.00 1.00 H new ATOM 0 HA ILE B 704 69.472 -1.394 -3.071 1.00 1.00 H new ATOM 0 HB ILE B 704 69.351 -1.048 -0.067 1.00 1.00 H new ATOM 0 HG12 ILE B 704 68.926 -3.330 -0.783 1.00 1.00 H new ATOM 0 HG13 ILE B 704 67.427 -2.608 -0.234 1.00 1.00 H new ATOM 0 HG21 ILE B 704 67.037 -0.185 -0.422 1.00 1.00 H new ATOM 0 HG22 ILE B 704 68.255 0.885 -1.155 1.00 1.00 H new ATOM 0 HG23 ILE B 704 67.308 -0.218 -2.181 1.00 1.00 H new ATOM 0 HD11 ILE B 704 67.073 -3.865 -2.340 1.00 1.00 H new ATOM 0 HD12 ILE B 704 66.776 -2.129 -2.596 1.00 1.00 H new ATOM 0 HD13 ILE B 704 68.298 -2.863 -3.154 1.00 1.00 H new ATOM 1004 N LEU B 705 71.215 0.791 -1.284 1.00 1.00 N ATOM 1005 CA LEU B 705 71.689 2.164 -1.268 1.00 1.00 C ATOM 1006 C LEU B 705 72.426 2.484 -2.563 1.00 1.00 C ATOM 1007 O LEU B 705 72.224 3.542 -3.152 1.00 1.00 O ATOM 1008 CB LEU B 705 72.643 2.369 -0.086 1.00 1.00 C ATOM 1009 CG LEU B 705 71.863 2.297 1.233 1.00 1.00 C ATOM 1010 CD1 LEU B 705 72.845 2.296 2.409 1.00 1.00 C ATOM 1011 CD2 LEU B 705 70.920 3.500 1.360 1.00 1.00 C ATOM 0 H LEU B 705 71.596 0.196 -0.548 1.00 1.00 H new ATOM 0 HA LEU B 705 70.830 2.827 -1.169 1.00 1.00 H new ATOM 0 HB2 LEU B 705 73.422 1.607 -0.100 1.00 1.00 H new ATOM 0 HB3 LEU B 705 73.140 3.335 -0.172 1.00 1.00 H new ATOM 0 HG LEU B 705 71.273 1.380 1.243 1.00 1.00 H new ATOM 0 HD11 LEU B 705 72.290 2.245 3.346 1.00 1.00 H new ATOM 0 HD12 LEU B 705 73.506 1.433 2.331 1.00 1.00 H new ATOM 0 HD13 LEU B 705 73.439 3.210 2.388 1.00 1.00 H new ATOM 0 HD21 LEU B 705 70.373 3.436 2.301 1.00 1.00 H new ATOM 0 HD22 LEU B 705 71.501 4.422 1.341 1.00 1.00 H new ATOM 0 HD23 LEU B 705 70.214 3.499 0.529 1.00 1.00 H new ATOM 1023 N LEU B 706 73.281 1.570 -3.007 1.00 1.00 N ATOM 1024 CA LEU B 706 74.033 1.792 -4.237 1.00 1.00 C ATOM 1025 C LEU B 706 73.096 1.902 -5.440 1.00 1.00 C ATOM 1026 O LEU B 706 73.283 2.762 -6.300 1.00 1.00 O ATOM 1027 CB LEU B 706 75.019 0.642 -4.460 1.00 1.00 C ATOM 1028 CG LEU B 706 76.132 0.702 -3.407 1.00 1.00 C ATOM 1029 CD1 LEU B 706 76.983 -0.566 -3.492 1.00 1.00 C ATOM 1030 CD2 LEU B 706 77.025 1.929 -3.642 1.00 1.00 C ATOM 0 H LEU B 706 73.469 0.682 -2.543 1.00 1.00 H new ATOM 0 HA LEU B 706 74.579 2.730 -4.136 1.00 1.00 H new ATOM 0 HB2 LEU B 706 74.498 -0.313 -4.398 1.00 1.00 H new ATOM 0 HB3 LEU B 706 75.448 0.707 -5.460 1.00 1.00 H new ATOM 0 HG LEU B 706 75.677 0.778 -2.419 1.00 1.00 H new ATOM 0 HD11 LEU B 706 77.774 -0.524 -2.744 1.00 1.00 H new ATOM 0 HD12 LEU B 706 76.356 -1.438 -3.308 1.00 1.00 H new ATOM 0 HD13 LEU B 706 77.426 -0.641 -4.485 1.00 1.00 H new ATOM 0 HD21 LEU B 706 77.810 1.958 -2.887 1.00 1.00 H new ATOM 0 HD22 LEU B 706 77.476 1.866 -4.632 1.00 1.00 H new ATOM 0 HD23 LEU B 706 76.423 2.835 -3.574 1.00 1.00 H new ATOM 1042 N ILE B 707 72.100 1.020 -5.501 1.00 1.00 N ATOM 1043 CA ILE B 707 71.157 1.025 -6.619 1.00 1.00 C ATOM 1044 C ILE B 707 70.345 2.317 -6.661 1.00 1.00 C ATOM 1045 O ILE B 707 70.160 2.902 -7.725 1.00 1.00 O ATOM 1046 CB ILE B 707 70.208 -0.170 -6.508 1.00 1.00 C ATOM 1047 CG1 ILE B 707 70.992 -1.466 -6.739 1.00 1.00 C ATOM 1048 CG2 ILE B 707 69.105 -0.047 -7.560 1.00 1.00 C ATOM 1049 CD1 ILE B 707 70.125 -2.666 -6.354 1.00 1.00 C ATOM 0 H ILE B 707 71.926 0.301 -4.799 1.00 1.00 H new ATOM 0 HA ILE B 707 71.735 0.955 -7.541 1.00 1.00 H new ATOM 0 HB ILE B 707 69.760 -0.187 -5.514 1.00 1.00 H new ATOM 0 HG12 ILE B 707 71.290 -1.541 -7.785 1.00 1.00 H new ATOM 0 HG13 ILE B 707 71.907 -1.460 -6.146 1.00 1.00 H new ATOM 0 HG21 ILE B 707 68.429 -0.899 -7.480 1.00 1.00 H new ATOM 0 HG22 ILE B 707 68.547 0.875 -7.396 1.00 1.00 H new ATOM 0 HG23 ILE B 707 69.551 -0.030 -8.554 1.00 1.00 H new ATOM 0 HD11 ILE B 707 70.684 -3.587 -6.519 1.00 1.00 H new ATOM 0 HD12 ILE B 707 69.849 -2.593 -5.302 1.00 1.00 H new ATOM 0 HD13 ILE B 707 69.223 -2.675 -6.966 1.00 1.00 H new ATOM 1061 N GLY B 708 69.863 2.756 -5.503 1.00 1.00 N ATOM 1062 CA GLY B 708 69.077 3.987 -5.435 1.00 1.00 C ATOM 1063 C GLY B 708 69.947 5.213 -5.707 1.00 1.00 C ATOM 1064 O GLY B 708 69.539 6.135 -6.414 1.00 1.00 O ATOM 0 H GLY B 708 69.999 2.286 -4.608 1.00 1.00 H new ATOM 0 HA2 GLY B 708 68.266 3.945 -6.162 1.00 1.00 H new ATOM 0 HA3 GLY B 708 68.618 4.075 -4.450 1.00 1.00 H new ATOM 1068 N LEU B 709 71.147 5.211 -5.136 1.00 1.00 N ATOM 1069 CA LEU B 709 72.101 6.306 -5.294 1.00 1.00 C ATOM 1070 C LEU B 709 72.619 6.442 -6.724 1.00 1.00 C ATOM 1071 O LEU B 709 72.889 7.548 -7.184 1.00 1.00 O ATOM 1072 CB LEU B 709 73.276 6.116 -4.333 1.00 1.00 C ATOM 1073 CG LEU B 709 72.807 6.356 -2.891 1.00 1.00 C ATOM 1074 CD1 LEU B 709 73.898 5.902 -1.921 1.00 1.00 C ATOM 1075 CD2 LEU B 709 72.520 7.848 -2.665 1.00 1.00 C ATOM 0 H LEU B 709 71.487 4.449 -4.549 1.00 1.00 H new ATOM 0 HA LEU B 709 71.568 7.227 -5.059 1.00 1.00 H new ATOM 0 HB2 LEU B 709 73.680 5.108 -4.432 1.00 1.00 H new ATOM 0 HB3 LEU B 709 74.080 6.808 -4.584 1.00 1.00 H new ATOM 0 HG LEU B 709 71.893 5.787 -2.718 1.00 1.00 H new ATOM 0 HD11 LEU B 709 73.567 6.071 -0.896 1.00 1.00 H new ATOM 0 HD12 LEU B 709 74.096 4.840 -2.067 1.00 1.00 H new ATOM 0 HD13 LEU B 709 74.809 6.470 -2.107 1.00 1.00 H new ATOM 0 HD21 LEU B 709 72.188 8.003 -1.638 1.00 1.00 H new ATOM 0 HD22 LEU B 709 73.428 8.424 -2.844 1.00 1.00 H new ATOM 0 HD23 LEU B 709 71.740 8.177 -3.352 1.00 1.00 H new ATOM 1087 N ALA B 710 72.809 5.320 -7.408 1.00 1.00 N ATOM 1088 CA ALA B 710 73.360 5.353 -8.760 1.00 1.00 C ATOM 1089 C ALA B 710 72.636 6.355 -9.660 1.00 1.00 C ATOM 1090 O ALA B 710 73.272 7.263 -10.196 1.00 1.00 O ATOM 1091 CB ALA B 710 73.275 3.958 -9.383 1.00 1.00 C ATOM 0 H ALA B 710 72.594 4.387 -7.056 1.00 1.00 H new ATOM 0 HA ALA B 710 74.399 5.673 -8.680 1.00 1.00 H new ATOM 0 HB1 ALA B 710 73.687 3.984 -10.392 1.00 1.00 H new ATOM 0 HB2 ALA B 710 73.845 3.254 -8.777 1.00 1.00 H new ATOM 0 HB3 ALA B 710 72.233 3.641 -9.424 1.00 1.00 H new ATOM 1097 N PRO B 711 71.346 6.237 -9.848 1.00 1.00 N ATOM 1098 CA PRO B 711 70.605 7.195 -10.711 1.00 1.00 C ATOM 1099 C PRO B 711 70.709 8.627 -10.192 1.00 1.00 C ATOM 1100 O PRO B 711 70.881 9.567 -10.968 1.00 1.00 O ATOM 1101 CB PRO B 711 69.158 6.688 -10.688 1.00 1.00 C ATOM 1102 CG PRO B 711 69.062 5.781 -9.507 1.00 1.00 C ATOM 1103 CD PRO B 711 70.461 5.216 -9.272 1.00 1.00 C ATOM 0 HA PRO B 711 71.012 7.235 -11.721 1.00 1.00 H new ATOM 0 HB2 PRO B 711 68.455 7.517 -10.602 1.00 1.00 H new ATOM 0 HB3 PRO B 711 68.915 6.158 -11.609 1.00 1.00 H new ATOM 0 HG2 PRO B 711 68.712 6.324 -8.629 1.00 1.00 H new ATOM 0 HG3 PRO B 711 68.347 4.979 -9.692 1.00 1.00 H new ATOM 0 HD2 PRO B 711 70.660 5.065 -8.211 1.00 1.00 H new ATOM 0 HD3 PRO B 711 70.591 4.250 -9.761 1.00 1.00 H new ATOM 1111 N LEU B 712 70.629 8.782 -8.870 1.00 1.00 N ATOM 1112 CA LEU B 712 70.738 10.099 -8.251 1.00 1.00 C ATOM 1113 C LEU B 712 72.129 10.690 -8.464 1.00 1.00 C ATOM 1114 O LEU B 712 72.272 11.875 -8.767 1.00 1.00 O ATOM 1115 CB LEU B 712 70.460 9.984 -6.752 1.00 1.00 C ATOM 1116 CG LEU B 712 68.980 9.651 -6.526 1.00 1.00 C ATOM 1117 CD1 LEU B 712 68.751 9.328 -5.050 1.00 1.00 C ATOM 1118 CD2 LEU B 712 68.097 10.839 -6.924 1.00 1.00 C ATOM 0 H LEU B 712 70.490 8.015 -8.212 1.00 1.00 H new ATOM 0 HA LEU B 712 70.006 10.759 -8.717 1.00 1.00 H new ATOM 0 HB2 LEU B 712 71.088 9.209 -6.314 1.00 1.00 H new ATOM 0 HB3 LEU B 712 70.713 10.919 -6.252 1.00 1.00 H new ATOM 0 HG LEU B 712 68.717 8.791 -7.142 1.00 1.00 H new ATOM 0 HD11 LEU B 712 67.699 9.091 -4.888 1.00 1.00 H new ATOM 0 HD12 LEU B 712 69.364 8.472 -4.765 1.00 1.00 H new ATOM 0 HD13 LEU B 712 69.027 10.190 -4.442 1.00 1.00 H new ATOM 0 HD21 LEU B 712 67.050 10.586 -6.757 1.00 1.00 H new ATOM 0 HD22 LEU B 712 68.361 11.707 -6.320 1.00 1.00 H new ATOM 0 HD23 LEU B 712 68.251 11.070 -7.978 1.00 1.00 H new ATOM 1130 N LEU B 713 73.152 9.854 -8.303 1.00 1.00 N ATOM 1131 CA LEU B 713 74.530 10.303 -8.480 1.00 1.00 C ATOM 1132 C LEU B 713 74.774 10.749 -9.912 1.00 1.00 C ATOM 1133 O LEU B 713 75.424 11.767 -10.147 1.00 1.00 O ATOM 1134 CB LEU B 713 75.517 9.193 -8.107 1.00 1.00 C ATOM 1135 CG LEU B 713 75.514 8.985 -6.587 1.00 1.00 C ATOM 1136 CD1 LEU B 713 76.268 7.697 -6.252 1.00 1.00 C ATOM 1137 CD2 LEU B 713 76.199 10.169 -5.885 1.00 1.00 C ATOM 0 H LEU B 713 73.054 8.870 -8.052 1.00 1.00 H new ATOM 0 HA LEU B 713 74.690 11.152 -7.816 1.00 1.00 H new ATOM 0 HB2 LEU B 713 75.243 8.266 -8.611 1.00 1.00 H new ATOM 0 HB3 LEU B 713 76.519 9.456 -8.445 1.00 1.00 H new ATOM 0 HG LEU B 713 74.483 8.915 -6.241 1.00 1.00 H new ATOM 0 HD11 LEU B 713 76.268 7.546 -5.173 1.00 1.00 H new ATOM 0 HD12 LEU B 713 75.779 6.852 -6.737 1.00 1.00 H new ATOM 0 HD13 LEU B 713 77.295 7.774 -6.608 1.00 1.00 H new ATOM 0 HD21 LEU B 713 76.190 10.008 -4.807 1.00 1.00 H new ATOM 0 HD22 LEU B 713 77.230 10.250 -6.231 1.00 1.00 H new ATOM 0 HD23 LEU B 713 75.664 11.090 -6.119 1.00 1.00 H new ATOM 1149 N ILE B 714 74.245 9.994 -10.869 1.00 1.00 N ATOM 1150 CA ILE B 714 74.422 10.352 -12.269 1.00 1.00 C ATOM 1151 C ILE B 714 73.747 11.688 -12.545 1.00 1.00 C ATOM 1152 O ILE B 714 74.319 12.560 -13.197 1.00 1.00 O ATOM 1153 CB ILE B 714 73.816 9.274 -13.171 1.00 1.00 C ATOM 1154 CG1 ILE B 714 74.641 7.993 -13.042 1.00 1.00 C ATOM 1155 CG2 ILE B 714 73.840 9.749 -14.626 1.00 1.00 C ATOM 1156 CD1 ILE B 714 73.897 6.836 -13.709 1.00 1.00 C ATOM 0 H ILE B 714 73.701 9.147 -10.705 1.00 1.00 H new ATOM 0 HA ILE B 714 75.488 10.432 -12.481 1.00 1.00 H new ATOM 0 HB ILE B 714 72.786 9.082 -12.871 1.00 1.00 H new ATOM 0 HG12 ILE B 714 75.617 8.128 -13.508 1.00 1.00 H new ATOM 0 HG13 ILE B 714 74.819 7.767 -11.991 1.00 1.00 H new ATOM 0 HG21 ILE B 714 73.408 8.980 -15.267 1.00 1.00 H new ATOM 0 HG22 ILE B 714 73.260 10.667 -14.719 1.00 1.00 H new ATOM 0 HG23 ILE B 714 74.869 9.939 -14.930 1.00 1.00 H new ATOM 0 HD11 ILE B 714 74.486 5.923 -13.617 1.00 1.00 H new ATOM 0 HD12 ILE B 714 72.932 6.696 -13.223 1.00 1.00 H new ATOM 0 HD13 ILE B 714 73.742 7.063 -14.764 1.00 1.00 H new ATOM 1168 N TRP B 715 72.534 11.851 -12.028 1.00 1.00 N ATOM 1169 CA TRP B 715 71.786 13.091 -12.205 1.00 1.00 C ATOM 1170 C TRP B 715 72.543 14.253 -11.554 1.00 1.00 C ATOM 1171 O TRP B 715 72.725 15.310 -12.155 1.00 1.00 O ATOM 1172 CB TRP B 715 70.400 12.884 -11.575 1.00 1.00 C ATOM 1173 CG TRP B 715 69.625 14.157 -11.447 1.00 1.00 C ATOM 1174 CD1 TRP B 715 69.809 15.289 -12.165 1.00 1.00 C ATOM 1175 CD2 TRP B 715 68.499 14.415 -10.562 1.00 1.00 C ATOM 1176 NE1 TRP B 715 68.882 16.234 -11.747 1.00 1.00 N ATOM 1177 CE2 TRP B 715 68.052 15.737 -10.766 1.00 1.00 C ATOM 1178 CE3 TRP B 715 67.837 13.631 -9.600 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 66.982 16.267 -10.044 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 66.758 14.158 -8.873 1.00 1.00 C ATOM 1181 CH2 TRP B 715 66.332 15.474 -9.094 1.00 1.00 C ATOM 0 H TRP B 715 72.047 11.140 -11.483 1.00 1.00 H new ATOM 0 HA TRP B 715 71.670 13.340 -13.260 1.00 1.00 H new ATOM 0 HB2 TRP B 715 69.832 12.178 -12.181 1.00 1.00 H new ATOM 0 HB3 TRP B 715 70.518 12.435 -10.589 1.00 1.00 H new ATOM 0 HD1 TRP B 715 70.553 15.433 -12.935 1.00 1.00 H new ATOM 0 HE1 TRP B 715 68.823 17.181 -12.121 1.00 1.00 H new ATOM 0 HE3 TRP B 715 68.161 12.617 -9.419 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 66.658 17.283 -10.218 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 66.254 13.546 -8.140 1.00 1.00 H new ATOM 0 HH2 TRP B 715 65.502 15.875 -8.531 1.00 1.00 H new ATOM 1192 N LYS B 716 72.978 14.044 -10.317 1.00 1.00 N ATOM 1193 CA LYS B 716 73.703 15.069 -9.575 1.00 1.00 C ATOM 1194 C LYS B 716 75.003 15.448 -10.290 1.00 1.00 C ATOM 1195 O LYS B 716 75.353 16.626 -10.366 1.00 1.00 O ATOM 1196 CB LYS B 716 74.032 14.549 -8.172 1.00 1.00 C ATOM 1197 CG LYS B 716 74.320 15.728 -7.224 1.00 1.00 C ATOM 1198 CD LYS B 716 73.053 16.163 -6.447 1.00 1.00 C ATOM 1199 CE LYS B 716 72.110 17.001 -7.322 1.00 1.00 C ATOM 1200 NZ LYS B 716 71.216 17.811 -6.445 1.00 1.00 N ATOM 0 H LYS B 716 72.841 13.172 -9.806 1.00 1.00 H new ATOM 0 HA LYS B 716 73.071 15.955 -9.508 1.00 1.00 H new ATOM 0 HB2 LYS B 716 73.198 13.960 -7.789 1.00 1.00 H new ATOM 0 HB3 LYS B 716 74.897 13.887 -8.215 1.00 1.00 H new ATOM 0 HG2 LYS B 716 75.100 15.444 -6.518 1.00 1.00 H new ATOM 0 HG3 LYS B 716 74.702 16.572 -7.799 1.00 1.00 H new ATOM 0 HD2 LYS B 716 72.526 15.280 -6.087 1.00 1.00 H new ATOM 0 HD3 LYS B 716 73.344 16.740 -5.570 1.00 1.00 H new ATOM 0 HE2 LYS B 716 72.687 17.655 -7.976 1.00 1.00 H new ATOM 0 HE3 LYS B 716 71.517 16.350 -7.964 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 70.988 18.709 -6.917 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 70.339 17.284 -6.262 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 71.697 18.006 -5.544 1.00 1.00 H new ATOM 1214 N LEU B 717 75.727 14.452 -10.799 1.00 1.00 N ATOM 1215 CA LEU B 717 76.986 14.724 -11.483 1.00 1.00 C ATOM 1216 C LEU B 717 76.744 15.565 -12.734 1.00 1.00 C ATOM 1217 O LEU B 717 77.479 16.518 -13.005 1.00 1.00 O ATOM 1218 CB LEU B 717 77.664 13.400 -11.865 1.00 1.00 C ATOM 1219 CG LEU B 717 78.990 13.660 -12.597 1.00 1.00 C ATOM 1220 CD1 LEU B 717 79.920 14.481 -11.705 1.00 1.00 C ATOM 1221 CD2 LEU B 717 79.660 12.326 -12.930 1.00 1.00 C ATOM 0 H LEU B 717 75.468 13.467 -10.752 1.00 1.00 H new ATOM 0 HA LEU B 717 77.637 15.283 -10.811 1.00 1.00 H new ATOM 0 HB2 LEU B 717 77.848 12.808 -10.968 1.00 1.00 H new ATOM 0 HB3 LEU B 717 77.000 12.816 -12.502 1.00 1.00 H new ATOM 0 HG LEU B 717 78.789 14.210 -13.516 1.00 1.00 H new ATOM 0 HD11 LEU B 717 80.859 14.663 -12.228 1.00 1.00 H new ATOM 0 HD12 LEU B 717 79.447 15.434 -11.466 1.00 1.00 H new ATOM 0 HD13 LEU B 717 80.118 13.933 -10.784 1.00 1.00 H new ATOM 0 HD21 LEU B 717 80.600 12.511 -13.449 1.00 1.00 H new ATOM 0 HD22 LEU B 717 79.856 11.777 -12.009 1.00 1.00 H new ATOM 0 HD23 LEU B 717 79.002 11.738 -13.570 1.00 1.00 H new ATOM 1233 N LEU B 718 75.720 15.196 -13.502 1.00 1.00 N ATOM 1234 CA LEU B 718 75.407 15.922 -14.736 1.00 1.00 C ATOM 1235 C LEU B 718 75.050 17.380 -14.421 1.00 1.00 C ATOM 1236 O LEU B 718 75.484 18.316 -15.116 1.00 1.00 O ATOM 1237 CB LEU B 718 74.234 15.256 -15.456 1.00 1.00 C ATOM 1238 CG LEU B 718 74.671 13.901 -16.012 1.00 1.00 C ATOM 1239 CD1 LEU B 718 73.448 13.132 -16.510 1.00 1.00 C ATOM 1240 CD2 LEU B 718 75.663 14.094 -17.168 1.00 1.00 C ATOM 0 H LEU B 718 75.101 14.412 -13.298 1.00 1.00 H new ATOM 0 HA LEU B 718 76.286 15.900 -15.380 1.00 1.00 H new ATOM 0 HB2 LEU B 718 73.399 15.125 -14.767 1.00 1.00 H new ATOM 0 HB3 LEU B 718 73.882 15.895 -16.266 1.00 1.00 H new ATOM 0 HG LEU B 718 75.160 13.336 -15.218 1.00 1.00 H new ATOM 0 HD11 LEU B 718 73.762 12.166 -16.906 1.00 1.00 H new ATOM 0 HD12 LEU B 718 72.754 12.977 -15.684 1.00 1.00 H new ATOM 0 HD13 LEU B 718 72.954 13.703 -17.296 1.00 1.00 H new ATOM 0 HD21 LEU B 718 75.966 13.121 -17.554 1.00 1.00 H new ATOM 0 HD22 LEU B 718 75.188 14.668 -17.963 1.00 1.00 H new ATOM 0 HD23 LEU B 718 76.541 14.631 -16.808 1.00 1.00 H new ATOM 1252 N ILE B 719 74.276 17.586 -13.363 1.00 1.00 N ATOM 1253 CA ILE B 719 73.908 18.962 -13.002 1.00 1.00 C ATOM 1254 C ILE B 719 75.172 19.758 -12.648 1.00 1.00 C ATOM 1255 O ILE B 719 75.377 20.874 -13.138 1.00 1.00 O ATOM 1256 CB ILE B 719 72.955 18.991 -11.789 1.00 1.00 C ATOM 1257 CG1 ILE B 719 71.592 18.394 -12.171 1.00 1.00 C ATOM 1258 CG2 ILE B 719 72.769 20.441 -11.313 1.00 1.00 C ATOM 1259 CD1 ILE B 719 70.778 18.144 -10.895 1.00 1.00 C ATOM 0 H ILE B 719 73.900 16.856 -12.757 1.00 1.00 H new ATOM 0 HA ILE B 719 73.401 19.406 -13.859 1.00 1.00 H new ATOM 0 HB ILE B 719 73.388 18.397 -10.984 1.00 1.00 H new ATOM 0 HG12 ILE B 719 71.055 19.075 -12.832 1.00 1.00 H new ATOM 0 HG13 ILE B 719 71.730 17.461 -12.718 1.00 1.00 H new ATOM 0 HG21 ILE B 719 72.095 20.459 -10.456 1.00 1.00 H new ATOM 0 HG22 ILE B 719 73.735 20.856 -11.024 1.00 1.00 H new ATOM 0 HG23 ILE B 719 72.345 21.037 -12.121 1.00 1.00 H new ATOM 0 HD11 ILE B 719 69.809 17.720 -11.159 1.00 1.00 H new ATOM 0 HD12 ILE B 719 71.315 17.448 -10.251 1.00 1.00 H new ATOM 0 HD13 ILE B 719 70.630 19.086 -10.367 1.00 1.00 H new ATOM 1271 N THR B 720 76.038 19.175 -11.825 1.00 1.00 N ATOM 1272 CA THR B 720 77.266 19.856 -11.436 1.00 1.00 C ATOM 1273 C THR B 720 78.109 20.228 -12.655 1.00 1.00 C ATOM 1274 O THR B 720 78.611 21.348 -12.731 1.00 1.00 O ATOM 1275 CB THR B 720 78.090 18.946 -10.518 1.00 1.00 C ATOM 1276 OG1 THR B 720 77.355 18.681 -9.339 1.00 1.00 O ATOM 1277 CG2 THR B 720 79.407 19.629 -10.152 1.00 1.00 C ATOM 0 H THR B 720 75.915 18.247 -11.420 1.00 1.00 H new ATOM 0 HA THR B 720 76.990 20.772 -10.914 1.00 1.00 H new ATOM 0 HB THR B 720 78.304 18.012 -11.037 1.00 1.00 H new ATOM 0 HG1 THR B 720 76.668 18.008 -9.526 1.00 1.00 H new ATOM 0 HG21 THR B 720 79.987 18.976 -9.500 1.00 1.00 H new ATOM 0 HG22 THR B 720 79.976 19.833 -11.059 1.00 1.00 H new ATOM 0 HG23 THR B 720 79.200 20.566 -9.636 1.00 1.00 H new ATOM 1285 N ILE B 721 78.293 19.307 -13.600 1.00 1.00 N ATOM 1286 CA ILE B 721 79.129 19.605 -14.767 1.00 1.00 C ATOM 1287 C ILE B 721 78.546 20.770 -15.572 1.00 1.00 C ATOM 1288 O ILE B 721 79.277 21.677 -15.989 1.00 1.00 O ATOM 1289 CB ILE B 721 79.216 18.370 -15.678 1.00 1.00 C ATOM 1290 CG1 ILE B 721 80.001 17.264 -14.968 1.00 1.00 C ATOM 1291 CG2 ILE B 721 79.932 18.746 -16.984 1.00 1.00 C ATOM 1292 CD1 ILE B 721 79.846 15.948 -15.736 1.00 1.00 C ATOM 0 H ILE B 721 77.887 18.371 -13.586 1.00 1.00 H new ATOM 0 HA ILE B 721 80.122 19.878 -14.409 1.00 1.00 H new ATOM 0 HB ILE B 721 78.210 18.015 -15.903 1.00 1.00 H new ATOM 0 HG12 ILE B 721 81.054 17.537 -14.903 1.00 1.00 H new ATOM 0 HG13 ILE B 721 79.639 17.145 -13.947 1.00 1.00 H new ATOM 0 HG21 ILE B 721 79.994 17.870 -17.630 1.00 1.00 H new ATOM 0 HG22 ILE B 721 79.374 19.533 -17.491 1.00 1.00 H new ATOM 0 HG23 ILE B 721 80.937 19.102 -16.758 1.00 1.00 H new ATOM 0 HD11 ILE B 721 80.406 15.162 -15.228 1.00 1.00 H new ATOM 0 HD12 ILE B 721 78.792 15.673 -15.778 1.00 1.00 H new ATOM 0 HD13 ILE B 721 80.230 16.070 -16.749 1.00 1.00 H new ATOM 1304 N HIS B 722 77.225 20.747 -15.763 1.00 1.00 N ATOM 1305 CA HIS B 722 76.569 21.829 -16.502 1.00 1.00 C ATOM 1306 C HIS B 722 76.746 23.148 -15.735 1.00 1.00 C ATOM 1307 O HIS B 722 76.915 24.217 -16.332 1.00 1.00 O ATOM 1308 CB HIS B 722 75.073 21.530 -16.716 1.00 1.00 C ATOM 1309 CG HIS B 722 74.914 20.480 -17.787 1.00 1.00 C ATOM 1310 ND1 HIS B 722 75.137 19.135 -17.542 1.00 1.00 N ATOM 1311 CD2 HIS B 722 74.558 20.562 -19.114 1.00 1.00 C ATOM 1312 CE1 HIS B 722 74.917 18.468 -18.689 1.00 1.00 C ATOM 1313 NE2 HIS B 722 74.562 19.290 -19.679 1.00 1.00 N ATOM 0 H HIS B 722 76.602 20.013 -15.427 1.00 1.00 H new ATOM 0 HA HIS B 722 77.033 21.913 -17.485 1.00 1.00 H new ATOM 0 HB2 HIS B 722 74.624 21.185 -15.785 1.00 1.00 H new ATOM 0 HB3 HIS B 722 74.548 22.440 -17.005 1.00 1.00 H new ATOM 0 HD1 HIS B 722 75.418 18.724 -16.652 1.00 1.00 H new ATOM 0 HD2 HIS B 722 74.313 21.474 -19.637 1.00 1.00 H new ATOM 0 HE1 HIS B 722 75.016 17.398 -18.796 1.00 1.00 H new