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 75:sc= 0.492 USER MOD Single : A 987 MET CE :methyl -159:sc= -4.24! (180deg=-6.36!) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 699 SER OG : rot -4:sc= 0.0674 USER MOD Single : B 701 MET CE :methyl 142:sc= -0.0733 (180deg=-1.14) USER MOD Single : B 716 LYS NZ :NH3+ 148:sc= 0.778 (180deg=-3.29!) USER MOD Single : B 720 THR OG1 : rot 75:sc= 0.56 USER MOD Single : B 722 HIS : no HE2:sc= 0.644 K(o=0.64,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 64.357 -16.283 3.730 1.00 1.00 N ATOM 137 CA ILE A 966 63.238 -15.495 3.225 1.00 1.00 C ATOM 138 C ILE A 966 62.998 -14.203 4.018 1.00 1.00 C ATOM 139 O ILE A 966 62.723 -13.153 3.431 1.00 1.00 O ATOM 140 CB ILE A 966 61.962 -16.340 3.255 1.00 1.00 C ATOM 141 CG1 ILE A 966 62.077 -17.463 2.223 1.00 1.00 C ATOM 142 CG2 ILE A 966 60.762 -15.455 2.916 1.00 1.00 C ATOM 143 CD1 ILE A 966 60.945 -18.468 2.432 1.00 1.00 C ATOM 0 HA ILE A 966 63.495 -15.206 2.206 1.00 1.00 H new ATOM 0 HB ILE A 966 61.828 -16.770 4.248 1.00 1.00 H new ATOM 0 HG12 ILE A 966 62.030 -17.051 1.215 1.00 1.00 H new ATOM 0 HG13 ILE A 966 63.042 -17.961 2.319 1.00 1.00 H new ATOM 0 HG21 ILE A 966 59.851 -16.053 2.936 1.00 1.00 H new ATOM 0 HG22 ILE A 966 60.684 -14.651 3.648 1.00 1.00 H new ATOM 0 HG23 ILE A 966 60.894 -15.029 1.922 1.00 1.00 H new ATOM 0 HD11 ILE A 966 61.028 -19.268 1.696 1.00 1.00 H new ATOM 0 HD12 ILE A 966 61.013 -18.889 3.435 1.00 1.00 H new ATOM 0 HD13 ILE A 966 59.985 -17.965 2.314 1.00 1.00 H new ATOM 155 N TRP A 967 63.052 -14.283 5.351 1.00 1.00 N ATOM 156 CA TRP A 967 62.781 -13.097 6.169 1.00 1.00 C ATOM 157 C TRP A 967 63.904 -12.067 6.068 1.00 1.00 C ATOM 158 O TRP A 967 63.656 -10.887 5.823 1.00 1.00 O ATOM 159 CB TRP A 967 62.653 -13.477 7.643 1.00 1.00 C ATOM 160 CG TRP A 967 62.929 -14.931 7.839 1.00 1.00 C ATOM 161 CD1 TRP A 967 64.022 -15.414 8.471 1.00 1.00 C ATOM 162 CD2 TRP A 967 62.147 -16.091 7.430 1.00 1.00 C ATOM 163 NE1 TRP A 967 63.969 -16.790 8.480 1.00 1.00 N ATOM 164 CE2 TRP A 967 62.831 -17.260 7.850 1.00 1.00 C ATOM 165 CE3 TRP A 967 60.927 -16.244 6.746 1.00 1.00 C ATOM 166 CZ2 TRP A 967 62.321 -18.535 7.597 1.00 1.00 C ATOM 167 CZ3 TRP A 967 60.413 -17.525 6.491 1.00 1.00 C ATOM 168 CH2 TRP A 967 61.108 -18.669 6.916 1.00 1.00 C ATOM 0 H TRP A 967 63.274 -15.130 5.875 1.00 1.00 H new ATOM 0 HA TRP A 967 61.852 -12.671 5.790 1.00 1.00 H new ATOM 0 HB2 TRP A 967 63.350 -12.886 8.238 1.00 1.00 H new ATOM 0 HB3 TRP A 967 61.650 -13.241 7.999 1.00 1.00 H new ATOM 0 HD1 TRP A 967 64.812 -14.816 8.901 1.00 1.00 H new ATOM 0 HE1 TRP A 967 64.681 -17.388 8.899 1.00 1.00 H new ATOM 0 HE3 TRP A 967 60.383 -15.371 6.415 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 62.860 -19.411 7.925 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 59.476 -17.632 5.964 1.00 1.00 H new ATOM 0 HH2 TRP A 967 60.706 -19.651 6.717 1.00 1.00 H new ATOM 179 N TRP A 968 65.130 -12.502 6.350 1.00 1.00 N ATOM 180 CA TRP A 968 66.268 -11.591 6.380 1.00 1.00 C ATOM 181 C TRP A 968 66.472 -10.869 5.049 1.00 1.00 C ATOM 182 O TRP A 968 66.764 -9.675 5.048 1.00 1.00 O ATOM 183 CB TRP A 968 67.539 -12.345 6.786 1.00 1.00 C ATOM 184 CG TRP A 968 67.392 -12.842 8.197 1.00 1.00 C ATOM 185 CD1 TRP A 968 67.296 -14.143 8.560 1.00 1.00 C ATOM 186 CD2 TRP A 968 67.293 -12.071 9.431 1.00 1.00 C ATOM 187 NE1 TRP A 968 67.166 -14.222 9.931 1.00 1.00 N ATOM 188 CE2 TRP A 968 67.154 -12.972 10.518 1.00 1.00 C ATOM 189 CE3 TRP A 968 67.316 -10.694 9.712 1.00 1.00 C ATOM 190 CZ2 TRP A 968 67.043 -12.521 11.834 1.00 1.00 C ATOM 191 CZ3 TRP A 968 67.203 -10.238 11.036 1.00 1.00 C ATOM 192 CH2 TRP A 968 67.067 -11.147 12.095 1.00 1.00 C ATOM 0 H TRP A 968 65.359 -13.474 6.560 1.00 1.00 H new ATOM 0 HA TRP A 968 66.051 -10.825 7.125 1.00 1.00 H new ATOM 0 HB2 TRP A 968 67.711 -13.182 6.109 1.00 1.00 H new ATOM 0 HB3 TRP A 968 68.406 -11.689 6.708 1.00 1.00 H new ATOM 0 HD1 TRP A 968 67.318 -14.985 7.884 1.00 1.00 H new ATOM 0 HE1 TRP A 968 67.088 -15.098 10.448 1.00 1.00 H new ATOM 0 HE3 TRP A 968 67.421 -9.983 8.906 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 66.939 -13.227 12.644 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 67.221 -9.178 11.240 1.00 1.00 H new ATOM 0 HH2 TRP A 968 66.981 -10.787 13.110 1.00 1.00 H new ATOM 203 N VAL A 969 66.290 -11.547 3.917 1.00 1.00 N ATOM 204 CA VAL A 969 66.447 -10.856 2.637 1.00 1.00 C ATOM 205 C VAL A 969 65.355 -9.795 2.500 1.00 1.00 C ATOM 206 O VAL A 969 65.603 -8.664 2.079 1.00 1.00 O ATOM 207 CB VAL A 969 66.374 -11.840 1.467 1.00 1.00 C ATOM 208 CG1 VAL A 969 65.016 -12.533 1.463 1.00 1.00 C ATOM 209 CG2 VAL A 969 66.562 -11.086 0.149 1.00 1.00 C ATOM 0 H VAL A 969 66.043 -12.535 3.857 1.00 1.00 H new ATOM 0 HA VAL A 969 67.428 -10.381 2.614 1.00 1.00 H new ATOM 0 HB VAL A 969 67.162 -12.585 1.576 1.00 1.00 H new ATOM 0 HG11 VAL A 969 64.967 -13.233 0.629 1.00 1.00 H new ATOM 0 HG12 VAL A 969 64.881 -13.074 2.399 1.00 1.00 H new ATOM 0 HG13 VAL A 969 64.228 -11.788 1.358 1.00 1.00 H new ATOM 0 HG21 VAL A 969 66.510 -11.789 -0.683 1.00 1.00 H new ATOM 0 HG22 VAL A 969 65.776 -10.338 0.042 1.00 1.00 H new ATOM 0 HG23 VAL A 969 67.534 -10.593 0.147 1.00 1.00 H new ATOM 219 N LEU A 970 64.141 -10.193 2.879 1.00 1.00 N ATOM 220 CA LEU A 970 62.990 -9.298 2.824 1.00 1.00 C ATOM 221 C LEU A 970 63.216 -8.109 3.755 1.00 1.00 C ATOM 222 O LEU A 970 62.918 -6.966 3.401 1.00 1.00 O ATOM 223 CB LEU A 970 61.719 -10.060 3.236 1.00 1.00 C ATOM 224 CG LEU A 970 60.495 -9.132 3.198 1.00 1.00 C ATOM 225 CD1 LEU A 970 60.328 -8.547 1.793 1.00 1.00 C ATOM 226 CD2 LEU A 970 59.242 -9.932 3.571 1.00 1.00 C ATOM 0 H LEU A 970 63.931 -11.129 3.227 1.00 1.00 H new ATOM 0 HA LEU A 970 62.867 -8.931 1.805 1.00 1.00 H new ATOM 0 HB2 LEU A 970 61.562 -10.905 2.566 1.00 1.00 H new ATOM 0 HB3 LEU A 970 61.842 -10.467 4.239 1.00 1.00 H new ATOM 0 HG LEU A 970 60.637 -8.318 3.909 1.00 1.00 H new ATOM 0 HD11 LEU A 970 59.458 -7.890 1.773 1.00 1.00 H new ATOM 0 HD12 LEU A 970 61.219 -7.978 1.528 1.00 1.00 H new ATOM 0 HD13 LEU A 970 60.188 -9.356 1.076 1.00 1.00 H new ATOM 0 HD21 LEU A 970 58.371 -9.277 3.545 1.00 1.00 H new ATOM 0 HD22 LEU A 970 59.105 -10.746 2.859 1.00 1.00 H new ATOM 0 HD23 LEU A 970 59.358 -10.343 4.574 1.00 1.00 H new ATOM 238 N VAL A 971 63.738 -8.378 4.945 1.00 1.00 N ATOM 239 CA VAL A 971 63.998 -7.321 5.919 1.00 1.00 C ATOM 240 C VAL A 971 65.025 -6.330 5.378 1.00 1.00 C ATOM 241 O VAL A 971 64.858 -5.118 5.509 1.00 1.00 O ATOM 242 CB VAL A 971 64.511 -7.927 7.226 1.00 1.00 C ATOM 243 CG1 VAL A 971 64.946 -6.809 8.179 1.00 1.00 C ATOM 244 CG2 VAL A 971 63.391 -8.738 7.876 1.00 1.00 C ATOM 0 H VAL A 971 63.990 -9.315 5.260 1.00 1.00 H new ATOM 0 HA VAL A 971 63.064 -6.792 6.106 1.00 1.00 H new ATOM 0 HB VAL A 971 65.363 -8.574 7.017 1.00 1.00 H new ATOM 0 HG11 VAL A 971 65.311 -7.245 9.109 1.00 1.00 H new ATOM 0 HG12 VAL A 971 65.741 -6.225 7.716 1.00 1.00 H new ATOM 0 HG13 VAL A 971 64.096 -6.161 8.391 1.00 1.00 H new ATOM 0 HG21 VAL A 971 63.751 -9.173 8.809 1.00 1.00 H new ATOM 0 HG22 VAL A 971 62.543 -8.086 8.083 1.00 1.00 H new ATOM 0 HG23 VAL A 971 63.080 -9.535 7.201 1.00 1.00 H new ATOM 254 N GLY A 972 66.093 -6.853 4.781 1.00 1.00 N ATOM 255 CA GLY A 972 67.144 -5.993 4.243 1.00 1.00 C ATOM 256 C GLY A 972 66.597 -5.056 3.180 1.00 1.00 C ATOM 257 O GLY A 972 66.990 -3.888 3.106 1.00 1.00 O ATOM 0 H GLY A 972 66.253 -7.853 4.658 1.00 1.00 H new ATOM 0 HA2 GLY A 972 67.590 -5.411 5.050 1.00 1.00 H new ATOM 0 HA3 GLY A 972 67.937 -6.607 3.817 1.00 1.00 H new ATOM 261 N VAL A 973 65.698 -5.574 2.359 1.00 1.00 N ATOM 262 CA VAL A 973 65.110 -4.773 1.302 1.00 1.00 C ATOM 263 C VAL A 973 64.351 -3.590 1.888 1.00 1.00 C ATOM 264 O VAL A 973 64.493 -2.469 1.415 1.00 1.00 O ATOM 265 CB VAL A 973 64.155 -5.634 0.470 1.00 1.00 C ATOM 266 CG1 VAL A 973 63.392 -4.745 -0.510 1.00 1.00 C ATOM 267 CG2 VAL A 973 64.958 -6.674 -0.312 1.00 1.00 C ATOM 0 H VAL A 973 65.363 -6.536 2.404 1.00 1.00 H new ATOM 0 HA VAL A 973 65.910 -4.396 0.665 1.00 1.00 H new ATOM 0 HB VAL A 973 63.450 -6.138 1.132 1.00 1.00 H new ATOM 0 HG11 VAL A 973 62.712 -5.357 -1.103 1.00 1.00 H new ATOM 0 HG12 VAL A 973 62.821 -4.000 0.044 1.00 1.00 H new ATOM 0 HG13 VAL A 973 64.098 -4.243 -1.171 1.00 1.00 H new ATOM 0 HG21 VAL A 973 64.279 -7.287 -0.905 1.00 1.00 H new ATOM 0 HG22 VAL A 973 65.661 -6.168 -0.974 1.00 1.00 H new ATOM 0 HG23 VAL A 973 65.507 -7.309 0.384 1.00 1.00 H new ATOM 277 N LEU A 974 63.553 -3.839 2.917 1.00 1.00 N ATOM 278 CA LEU A 974 62.781 -2.771 3.546 1.00 1.00 C ATOM 279 C LEU A 974 63.681 -1.706 4.178 1.00 1.00 C ATOM 280 O LEU A 974 63.422 -0.509 4.054 1.00 1.00 O ATOM 281 CB LEU A 974 61.871 -3.358 4.627 1.00 1.00 C ATOM 282 CG LEU A 974 60.759 -4.193 3.978 1.00 1.00 C ATOM 283 CD1 LEU A 974 59.991 -4.941 5.066 1.00 1.00 C ATOM 284 CD2 LEU A 974 59.789 -3.286 3.206 1.00 1.00 C ATOM 0 H LEU A 974 63.422 -4.761 3.332 1.00 1.00 H new ATOM 0 HA LEU A 974 62.189 -2.295 2.764 1.00 1.00 H new ATOM 0 HB2 LEU A 974 62.454 -3.979 5.307 1.00 1.00 H new ATOM 0 HB3 LEU A 974 61.435 -2.556 5.222 1.00 1.00 H new ATOM 0 HG LEU A 974 61.209 -4.902 3.283 1.00 1.00 H new ATOM 0 HD11 LEU A 974 59.200 -5.536 4.609 1.00 1.00 H new ATOM 0 HD12 LEU A 974 60.673 -5.598 5.606 1.00 1.00 H new ATOM 0 HD13 LEU A 974 59.552 -4.224 5.760 1.00 1.00 H new ATOM 0 HD21 LEU A 974 59.006 -3.894 2.752 1.00 1.00 H new ATOM 0 HD22 LEU A 974 59.339 -2.568 3.891 1.00 1.00 H new ATOM 0 HD23 LEU A 974 60.332 -2.752 2.426 1.00 1.00 H new ATOM 296 N GLY A 975 64.737 -2.145 4.862 1.00 1.00 N ATOM 297 CA GLY A 975 65.653 -1.213 5.517 1.00 1.00 C ATOM 298 C GLY A 975 66.403 -0.353 4.504 1.00 1.00 C ATOM 299 O GLY A 975 66.521 0.855 4.671 1.00 1.00 O ATOM 0 H GLY A 975 64.978 -3.130 4.976 1.00 1.00 H new ATOM 0 HA2 GLY A 975 65.094 -0.570 6.197 1.00 1.00 H new ATOM 0 HA3 GLY A 975 66.368 -1.770 6.122 1.00 1.00 H new ATOM 303 N GLY A 976 66.897 -0.983 3.452 1.00 1.00 N ATOM 304 CA GLY A 976 67.622 -0.250 2.418 1.00 1.00 C ATOM 305 C GLY A 976 66.711 0.802 1.771 1.00 1.00 C ATOM 306 O GLY A 976 67.138 1.931 1.527 1.00 1.00 O ATOM 0 H GLY A 976 66.814 -1.986 3.288 1.00 1.00 H new ATOM 0 HA2 GLY A 976 68.497 0.234 2.852 1.00 1.00 H new ATOM 0 HA3 GLY A 976 67.985 -0.943 1.659 1.00 1.00 H new ATOM 310 N LEU A 977 65.461 0.435 1.515 1.00 1.00 N ATOM 311 CA LEU A 977 64.510 1.377 0.911 1.00 1.00 C ATOM 312 C LEU A 977 64.262 2.578 1.837 1.00 1.00 C ATOM 313 O LEU A 977 64.171 3.712 1.374 1.00 1.00 O ATOM 314 CB LEU A 977 63.182 0.668 0.612 1.00 1.00 C ATOM 315 CG LEU A 977 63.375 -0.321 -0.543 1.00 1.00 C ATOM 316 CD1 LEU A 977 62.129 -1.197 -0.674 1.00 1.00 C ATOM 317 CD2 LEU A 977 63.595 0.432 -1.861 1.00 1.00 C ATOM 0 H LEU A 977 65.081 -0.491 1.710 1.00 1.00 H new ATOM 0 HA LEU A 977 64.941 1.743 -0.021 1.00 1.00 H new ATOM 0 HB2 LEU A 977 62.831 0.142 1.500 1.00 1.00 H new ATOM 0 HB3 LEU A 977 62.418 1.400 0.353 1.00 1.00 H new ATOM 0 HG LEU A 977 64.249 -0.938 -0.333 1.00 1.00 H new ATOM 0 HD11 LEU A 977 62.264 -1.901 -1.495 1.00 1.00 H new ATOM 0 HD12 LEU A 977 61.972 -1.747 0.254 1.00 1.00 H new ATOM 0 HD13 LEU A 977 61.262 -0.568 -0.874 1.00 1.00 H new ATOM 0 HD21 LEU A 977 63.730 -0.285 -2.671 1.00 1.00 H new ATOM 0 HD22 LEU A 977 62.728 1.058 -2.071 1.00 1.00 H new ATOM 0 HD23 LEU A 977 64.483 1.058 -1.778 1.00 1.00 H new ATOM 329 N LEU A 978 64.144 2.327 3.136 1.00 1.00 N ATOM 330 CA LEU A 978 63.889 3.420 4.083 1.00 1.00 C ATOM 331 C LEU A 978 65.042 4.424 4.071 1.00 1.00 C ATOM 332 O LEU A 978 64.814 5.634 4.082 1.00 1.00 O ATOM 333 CB LEU A 978 63.714 2.849 5.498 1.00 1.00 C ATOM 334 CG LEU A 978 63.467 3.978 6.511 1.00 1.00 C ATOM 335 CD1 LEU A 978 62.242 4.800 6.094 1.00 1.00 C ATOM 336 CD2 LEU A 978 63.213 3.364 7.890 1.00 1.00 C ATOM 0 H LEU A 978 64.218 1.400 3.556 1.00 1.00 H new ATOM 0 HA LEU A 978 62.977 3.935 3.782 1.00 1.00 H new ATOM 0 HB2 LEU A 978 62.877 2.150 5.513 1.00 1.00 H new ATOM 0 HB3 LEU A 978 64.604 2.287 5.782 1.00 1.00 H new ATOM 0 HG LEU A 978 64.341 4.629 6.544 1.00 1.00 H new ATOM 0 HD11 LEU A 978 62.075 5.597 6.818 1.00 1.00 H new ATOM 0 HD12 LEU A 978 62.413 5.234 5.109 1.00 1.00 H new ATOM 0 HD13 LEU A 978 61.365 4.154 6.058 1.00 1.00 H new ATOM 0 HD21 LEU A 978 63.037 4.158 8.615 1.00 1.00 H new ATOM 0 HD22 LEU A 978 62.339 2.714 7.844 1.00 1.00 H new ATOM 0 HD23 LEU A 978 64.082 2.781 8.195 1.00 1.00 H new ATOM 348 N LEU A 979 66.265 3.927 4.042 1.00 1.00 N ATOM 349 CA LEU A 979 67.413 4.840 4.025 1.00 1.00 C ATOM 350 C LEU A 979 67.366 5.708 2.760 1.00 1.00 C ATOM 351 O LEU A 979 67.648 6.904 2.810 1.00 1.00 O ATOM 352 CB LEU A 979 68.739 4.062 4.067 1.00 1.00 C ATOM 353 CG LEU A 979 69.160 3.725 5.515 1.00 1.00 C ATOM 354 CD1 LEU A 979 69.816 4.950 6.161 1.00 1.00 C ATOM 355 CD2 LEU A 979 67.960 3.301 6.367 1.00 1.00 C ATOM 0 H LEU A 979 66.494 2.933 4.030 1.00 1.00 H new ATOM 0 HA LEU A 979 67.358 5.474 4.910 1.00 1.00 H new ATOM 0 HB2 LEU A 979 68.638 3.140 3.494 1.00 1.00 H new ATOM 0 HB3 LEU A 979 69.521 4.651 3.589 1.00 1.00 H new ATOM 0 HG LEU A 979 69.864 2.894 5.469 1.00 1.00 H new ATOM 0 HD11 LEU A 979 70.111 4.708 7.182 1.00 1.00 H new ATOM 0 HD12 LEU A 979 70.697 5.236 5.586 1.00 1.00 H new ATOM 0 HD13 LEU A 979 69.107 5.778 6.175 1.00 1.00 H new ATOM 0 HD21 LEU A 979 68.295 3.072 7.379 1.00 1.00 H new ATOM 0 HD22 LEU A 979 67.233 4.112 6.400 1.00 1.00 H new ATOM 0 HD23 LEU A 979 67.497 2.417 5.929 1.00 1.00 H new ATOM 367 N LEU A 980 67.016 5.121 1.634 1.00 1.00 N ATOM 368 CA LEU A 980 66.949 5.896 0.394 1.00 1.00 C ATOM 369 C LEU A 980 65.892 7.004 0.471 1.00 1.00 C ATOM 370 O LEU A 980 66.107 8.113 -0.018 1.00 1.00 O ATOM 371 CB LEU A 980 66.620 4.999 -0.789 1.00 1.00 C ATOM 372 CG LEU A 980 67.793 4.073 -1.101 1.00 1.00 C ATOM 373 CD1 LEU A 980 67.345 3.096 -2.182 1.00 1.00 C ATOM 374 CD2 LEU A 980 69.003 4.878 -1.597 1.00 1.00 C ATOM 0 H LEU A 980 66.777 4.134 1.542 1.00 1.00 H new ATOM 0 HA LEU A 980 67.931 6.349 0.258 1.00 1.00 H new ATOM 0 HB2 LEU A 980 65.731 4.408 -0.568 1.00 1.00 H new ATOM 0 HB3 LEU A 980 66.389 5.609 -1.662 1.00 1.00 H new ATOM 0 HG LEU A 980 68.092 3.539 -0.199 1.00 1.00 H new ATOM 0 HD11 LEU A 980 68.166 2.421 -2.425 1.00 1.00 H new ATOM 0 HD12 LEU A 980 66.495 2.518 -1.820 1.00 1.00 H new ATOM 0 HD13 LEU A 980 67.054 3.650 -3.075 1.00 1.00 H new ATOM 0 HD21 LEU A 980 69.828 4.199 -1.814 1.00 1.00 H new ATOM 0 HD22 LEU A 980 68.732 5.421 -2.503 1.00 1.00 H new ATOM 0 HD23 LEU A 980 69.309 5.586 -0.827 1.00 1.00 H new ATOM 386 N THR A 981 64.739 6.687 1.046 1.00 1.00 N ATOM 387 CA THR A 981 63.658 7.669 1.129 1.00 1.00 C ATOM 388 C THR A 981 64.054 8.888 1.963 1.00 1.00 C ATOM 389 O THR A 981 63.819 10.024 1.542 1.00 1.00 O ATOM 390 CB THR A 981 62.415 7.014 1.732 1.00 1.00 C ATOM 391 OG1 THR A 981 62.155 5.790 1.059 1.00 1.00 O ATOM 392 CG2 THR A 981 61.215 7.958 1.573 1.00 1.00 C ATOM 0 H THR A 981 64.527 5.777 1.455 1.00 1.00 H new ATOM 0 HA THR A 981 63.446 8.016 0.118 1.00 1.00 H new ATOM 0 HB THR A 981 62.580 6.816 2.791 1.00 1.00 H new ATOM 0 HG1 THR A 981 62.800 5.113 1.351 1.00 1.00 H new ATOM 0 HG21 THR A 981 60.327 7.493 2.002 1.00 1.00 H new ATOM 0 HG22 THR A 981 61.419 8.896 2.089 1.00 1.00 H new ATOM 0 HG23 THR A 981 61.045 8.156 0.515 1.00 1.00 H new ATOM 400 N ILE A 982 64.628 8.668 3.140 1.00 1.00 N ATOM 401 CA ILE A 982 65.003 9.799 3.986 1.00 1.00 C ATOM 402 C ILE A 982 66.087 10.650 3.326 1.00 1.00 C ATOM 403 O ILE A 982 66.032 11.878 3.379 1.00 1.00 O ATOM 404 CB ILE A 982 65.467 9.318 5.361 1.00 1.00 C ATOM 405 CG1 ILE A 982 65.887 10.518 6.213 1.00 1.00 C ATOM 406 CG2 ILE A 982 66.641 8.363 5.209 1.00 1.00 C ATOM 407 CD1 ILE A 982 66.061 10.072 7.664 1.00 1.00 C ATOM 0 H ILE A 982 64.840 7.747 3.524 1.00 1.00 H new ATOM 0 HA ILE A 982 64.118 10.421 4.116 1.00 1.00 H new ATOM 0 HB ILE A 982 64.645 8.797 5.851 1.00 1.00 H new ATOM 0 HG12 ILE A 982 66.819 10.938 5.835 1.00 1.00 H new ATOM 0 HG13 ILE A 982 65.135 11.304 6.150 1.00 1.00 H new ATOM 0 HG21 ILE A 982 66.965 8.025 6.193 1.00 1.00 H new ATOM 0 HG22 ILE A 982 66.336 7.503 4.613 1.00 1.00 H new ATOM 0 HG23 ILE A 982 67.465 8.875 4.712 1.00 1.00 H new ATOM 0 HD11 ILE A 982 66.360 10.925 8.273 1.00 1.00 H new ATOM 0 HD12 ILE A 982 65.118 9.672 8.037 1.00 1.00 H new ATOM 0 HD13 ILE A 982 66.829 9.300 7.718 1.00 1.00 H new ATOM 419 N LEU A 983 67.063 10.003 2.695 1.00 1.00 N ATOM 420 CA LEU A 983 68.137 10.730 2.028 1.00 1.00 C ATOM 421 C LEU A 983 67.574 11.574 0.892 1.00 1.00 C ATOM 422 O LEU A 983 67.963 12.726 0.719 1.00 1.00 O ATOM 423 CB LEU A 983 69.178 9.739 1.486 1.00 1.00 C ATOM 424 CG LEU A 983 70.310 10.482 0.759 1.00 1.00 C ATOM 425 CD1 LEU A 983 70.966 11.486 1.704 1.00 1.00 C ATOM 426 CD2 LEU A 983 71.364 9.477 0.291 1.00 1.00 C ATOM 0 H LEU A 983 67.132 8.987 2.632 1.00 1.00 H new ATOM 0 HA LEU A 983 68.618 11.392 2.748 1.00 1.00 H new ATOM 0 HB2 LEU A 983 69.590 9.152 2.307 1.00 1.00 H new ATOM 0 HB3 LEU A 983 68.699 9.038 0.802 1.00 1.00 H new ATOM 0 HG LEU A 983 69.893 11.009 -0.099 1.00 1.00 H new ATOM 0 HD11 LEU A 983 71.767 12.008 1.181 1.00 1.00 H new ATOM 0 HD12 LEU A 983 70.222 12.208 2.041 1.00 1.00 H new ATOM 0 HD13 LEU A 983 71.378 10.960 2.565 1.00 1.00 H new ATOM 0 HD21 LEU A 983 72.166 10.005 -0.224 1.00 1.00 H new ATOM 0 HD22 LEU A 983 71.772 8.950 1.153 1.00 1.00 H new ATOM 0 HD23 LEU A 983 70.906 8.760 -0.390 1.00 1.00 H new ATOM 438 N VAL A 984 66.669 10.998 0.110 1.00 1.00 N ATOM 439 CA VAL A 984 66.081 11.714 -1.017 1.00 1.00 C ATOM 440 C VAL A 984 65.341 12.960 -0.548 1.00 1.00 C ATOM 441 O VAL A 984 65.479 14.029 -1.141 1.00 1.00 O ATOM 442 CB VAL A 984 65.119 10.797 -1.767 1.00 1.00 C ATOM 443 CG1 VAL A 984 64.360 11.607 -2.821 1.00 1.00 C ATOM 444 CG2 VAL A 984 65.915 9.688 -2.450 1.00 1.00 C ATOM 0 H VAL A 984 66.328 10.045 0.233 1.00 1.00 H new ATOM 0 HA VAL A 984 66.887 12.023 -1.683 1.00 1.00 H new ATOM 0 HB VAL A 984 64.407 10.359 -1.067 1.00 1.00 H new ATOM 0 HG11 VAL A 984 63.673 10.953 -3.357 1.00 1.00 H new ATOM 0 HG12 VAL A 984 63.797 12.403 -2.333 1.00 1.00 H new ATOM 0 HG13 VAL A 984 65.069 12.043 -3.525 1.00 1.00 H new ATOM 0 HG21 VAL A 984 65.233 9.029 -2.988 1.00 1.00 H new ATOM 0 HG22 VAL A 984 66.624 10.128 -3.152 1.00 1.00 H new ATOM 0 HG23 VAL A 984 66.457 9.114 -1.699 1.00 1.00 H new ATOM 454 N LEU A 985 64.554 12.821 0.508 1.00 1.00 N ATOM 455 CA LEU A 985 63.802 13.954 1.038 1.00 1.00 C ATOM 456 C LEU A 985 64.758 15.039 1.526 1.00 1.00 C ATOM 457 O LEU A 985 64.514 16.234 1.318 1.00 1.00 O ATOM 458 CB LEU A 985 62.909 13.498 2.200 1.00 1.00 C ATOM 459 CG LEU A 985 61.776 12.607 1.663 1.00 1.00 C ATOM 460 CD1 LEU A 985 61.026 11.973 2.837 1.00 1.00 C ATOM 461 CD2 LEU A 985 60.797 13.437 0.826 1.00 1.00 C ATOM 0 H LEU A 985 64.418 11.945 1.013 1.00 1.00 H new ATOM 0 HA LEU A 985 63.177 14.358 0.242 1.00 1.00 H new ATOM 0 HB2 LEU A 985 63.501 12.949 2.932 1.00 1.00 H new ATOM 0 HB3 LEU A 985 62.492 14.365 2.713 1.00 1.00 H new ATOM 0 HG LEU A 985 62.208 11.828 1.035 1.00 1.00 H new ATOM 0 HD11 LEU A 985 60.223 11.341 2.457 1.00 1.00 H new ATOM 0 HD12 LEU A 985 61.716 11.368 3.425 1.00 1.00 H new ATOM 0 HD13 LEU A 985 60.604 12.757 3.466 1.00 1.00 H new ATOM 0 HD21 LEU A 985 60.001 12.793 0.453 1.00 1.00 H new ATOM 0 HD22 LEU A 985 60.367 14.225 1.444 1.00 1.00 H new ATOM 0 HD23 LEU A 985 61.326 13.884 -0.015 1.00 1.00 H new ATOM 473 N ALA A 986 65.833 14.631 2.197 1.00 1.00 N ATOM 474 CA ALA A 986 66.795 15.604 2.726 1.00 1.00 C ATOM 475 C ALA A 986 67.446 16.422 1.601 1.00 1.00 C ATOM 476 O ALA A 986 67.605 17.636 1.718 1.00 1.00 O ATOM 477 CB ALA A 986 67.885 14.883 3.507 1.00 1.00 C ATOM 0 H ALA A 986 66.060 13.655 2.386 1.00 1.00 H new ATOM 0 HA ALA A 986 66.250 16.285 3.380 1.00 1.00 H new ATOM 0 HB1 ALA A 986 68.596 15.612 3.897 1.00 1.00 H new ATOM 0 HB2 ALA A 986 67.437 14.334 4.335 1.00 1.00 H new ATOM 0 HB3 ALA A 986 68.404 14.186 2.849 1.00 1.00 H new ATOM 483 N MET A 987 67.838 15.752 0.514 1.00 1.00 N ATOM 484 CA MET A 987 68.473 16.438 -0.612 1.00 1.00 C ATOM 485 C MET A 987 67.526 17.437 -1.275 1.00 1.00 C ATOM 486 O MET A 987 67.915 18.558 -1.596 1.00 1.00 O ATOM 487 CB MET A 987 68.933 15.399 -1.642 1.00 1.00 C ATOM 488 CG MET A 987 70.004 14.491 -1.040 1.00 1.00 C ATOM 489 SD MET A 987 71.500 15.446 -0.672 1.00 1.00 S ATOM 490 CE MET A 987 72.124 15.598 -2.370 1.00 1.00 C ATOM 0 H MET A 987 67.728 14.745 0.391 1.00 1.00 H new ATOM 0 HA MET A 987 69.328 16.996 -0.231 1.00 1.00 H new ATOM 0 HB2 MET A 987 68.083 14.801 -1.970 1.00 1.00 H new ATOM 0 HB3 MET A 987 69.328 15.902 -2.524 1.00 1.00 H new ATOM 0 HG2 MET A 987 69.627 14.026 -0.129 1.00 1.00 H new ATOM 0 HG3 MET A 987 70.240 13.685 -1.735 1.00 1.00 H new ATOM 0 HE1 MET A 987 73.192 15.815 -2.347 1.00 1.00 H new ATOM 0 HE2 MET A 987 71.955 14.664 -2.905 1.00 1.00 H new ATOM 0 HE3 MET A 987 71.601 16.407 -2.879 1.00 1.00 H new ATOM 500 N TRP A 988 66.282 17.021 -1.472 1.00 1.00 N ATOM 501 CA TRP A 988 65.292 17.889 -2.097 1.00 1.00 C ATOM 502 C TRP A 988 65.044 19.120 -1.229 1.00 1.00 C ATOM 503 O TRP A 988 64.949 20.230 -1.747 1.00 1.00 O ATOM 504 CB TRP A 988 63.984 17.107 -2.289 1.00 1.00 C ATOM 505 CG TRP A 988 62.872 18.040 -2.632 1.00 1.00 C ATOM 506 CD1 TRP A 988 62.999 19.187 -3.343 1.00 1.00 C ATOM 507 CD2 TRP A 988 61.459 17.925 -2.296 1.00 1.00 C ATOM 508 NE1 TRP A 988 61.757 19.780 -3.460 1.00 1.00 N ATOM 509 CE2 TRP A 988 60.775 19.042 -2.830 1.00 1.00 C ATOM 510 CE3 TRP A 988 60.713 16.972 -1.582 1.00 1.00 C ATOM 511 CZ2 TRP A 988 59.401 19.204 -2.666 1.00 1.00 C ATOM 512 CZ3 TRP A 988 59.329 17.132 -1.414 1.00 1.00 C ATOM 513 CH2 TRP A 988 58.674 18.246 -1.956 1.00 1.00 C ATOM 0 H TRP A 988 65.936 16.097 -1.211 1.00 1.00 H new ATOM 0 HA TRP A 988 65.664 18.220 -3.066 1.00 1.00 H new ATOM 0 HB2 TRP A 988 64.106 16.368 -3.081 1.00 1.00 H new ATOM 0 HB3 TRP A 988 63.742 16.560 -1.378 1.00 1.00 H new ATOM 0 HD1 TRP A 988 63.921 19.574 -3.751 1.00 1.00 H new ATOM 0 HE1 TRP A 988 61.586 20.657 -3.952 1.00 1.00 H new ATOM 0 HE3 TRP A 988 61.208 16.110 -1.160 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 58.901 20.065 -3.085 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 58.766 16.393 -0.864 1.00 1.00 H new ATOM 0 HH2 TRP A 988 57.608 18.364 -1.825 1.00 1.00 H new ATOM 524 N LYS A 989 64.925 18.925 0.078 1.00 1.00 N ATOM 525 CA LYS A 989 64.657 20.043 0.987 1.00 1.00 C ATOM 526 C LYS A 989 65.781 21.071 0.958 1.00 1.00 C ATOM 527 O LYS A 989 65.552 22.273 1.097 1.00 1.00 O ATOM 528 CB LYS A 989 64.484 19.519 2.411 1.00 1.00 C ATOM 529 CG LYS A 989 64.068 20.670 3.330 1.00 1.00 C ATOM 530 CD LYS A 989 63.838 20.134 4.747 1.00 1.00 C ATOM 531 CE LYS A 989 63.406 21.283 5.663 1.00 1.00 C ATOM 532 NZ LYS A 989 63.159 20.760 7.038 1.00 1.00 N ATOM 0 H LYS A 989 65.008 18.016 0.533 1.00 1.00 H new ATOM 0 HA LYS A 989 63.741 20.532 0.654 1.00 1.00 H new ATOM 0 HB2 LYS A 989 63.730 18.732 2.431 1.00 1.00 H new ATOM 0 HB3 LYS A 989 65.416 19.077 2.763 1.00 1.00 H new ATOM 0 HG2 LYS A 989 64.841 21.438 3.341 1.00 1.00 H new ATOM 0 HG3 LYS A 989 63.158 21.139 2.955 1.00 1.00 H new ATOM 0 HD2 LYS A 989 63.073 19.358 4.734 1.00 1.00 H new ATOM 0 HD3 LYS A 989 64.751 19.676 5.127 1.00 1.00 H new ATOM 0 HE2 LYS A 989 64.179 22.051 5.689 1.00 1.00 H new ATOM 0 HE3 LYS A 989 62.502 21.752 5.274 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 62.866 21.541 7.659 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 62.407 20.042 7.006 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 64.031 20.332 7.409 1.00 1.00 H new ATOM 546 N VAL A 990 66.998 20.579 0.779 1.00 1.00 N ATOM 547 CA VAL A 990 68.156 21.450 0.737 1.00 1.00 C ATOM 548 C VAL A 990 68.231 22.150 -0.603 1.00 1.00 C ATOM 549 O VAL A 990 69.116 22.974 -0.832 1.00 1.00 O ATOM 550 CB VAL A 990 69.435 20.638 0.971 1.00 1.00 C ATOM 551 CG1 VAL A 990 70.645 21.574 0.965 1.00 1.00 C ATOM 552 CG2 VAL A 990 69.350 19.930 2.326 1.00 1.00 C ATOM 0 H VAL A 990 67.205 19.587 0.661 1.00 1.00 H new ATOM 0 HA VAL A 990 68.061 22.198 1.524 1.00 1.00 H new ATOM 0 HB VAL A 990 69.543 19.898 0.178 1.00 1.00 H new ATOM 0 HG11 VAL A 990 71.554 20.995 1.132 1.00 1.00 H new ATOM 0 HG12 VAL A 990 70.709 22.080 0.002 1.00 1.00 H new ATOM 0 HG13 VAL A 990 70.536 22.314 1.757 1.00 1.00 H new ATOM 0 HG21 VAL A 990 70.259 19.353 2.492 1.00 1.00 H new ATOM 0 HG22 VAL A 990 69.241 20.671 3.118 1.00 1.00 H new ATOM 0 HG23 VAL A 990 68.489 19.261 2.334 1.00 1.00 H new ATOM 562 N GLY A 991 67.298 21.829 -1.486 1.00 1.00 N ATOM 563 CA GLY A 991 67.280 22.444 -2.794 1.00 1.00 C ATOM 564 C GLY A 991 68.443 21.919 -3.604 1.00 1.00 C ATOM 565 O GLY A 991 68.728 22.431 -4.682 1.00 1.00 O ATOM 0 H GLY A 991 66.553 21.153 -1.319 1.00 1.00 H new ATOM 0 HA2 GLY A 991 66.340 22.224 -3.300 1.00 1.00 H new ATOM 0 HA3 GLY A 991 67.346 23.528 -2.701 1.00 1.00 H new ATOM 569 N PHE A 992 69.138 20.916 -3.085 1.00 1.00 N ATOM 570 CA PHE A 992 70.291 20.373 -3.776 1.00 1.00 C ATOM 571 C PHE A 992 69.848 19.931 -5.171 1.00 1.00 C ATOM 572 O PHE A 992 70.492 20.245 -6.174 1.00 1.00 O ATOM 573 CB PHE A 992 70.819 19.175 -2.974 1.00 1.00 C ATOM 574 CG PHE A 992 72.314 18.960 -3.176 1.00 1.00 C ATOM 575 CD1 PHE A 992 72.960 19.302 -4.375 1.00 1.00 C ATOM 576 CD2 PHE A 992 73.056 18.405 -2.126 1.00 1.00 C ATOM 577 CE1 PHE A 992 74.334 19.086 -4.516 1.00 1.00 C ATOM 578 CE2 PHE A 992 74.430 18.191 -2.269 1.00 1.00 C ATOM 579 CZ PHE A 992 75.068 18.531 -3.465 1.00 1.00 C ATOM 0 H PHE A 992 68.923 20.467 -2.195 1.00 1.00 H new ATOM 0 HA PHE A 992 71.083 21.116 -3.869 1.00 1.00 H new ATOM 0 HB2 PHE A 992 70.616 19.332 -1.915 1.00 1.00 H new ATOM 0 HB3 PHE A 992 70.281 18.275 -3.272 1.00 1.00 H new ATOM 0 HD1 PHE A 992 72.395 19.732 -5.189 1.00 1.00 H new ATOM 0 HD2 PHE A 992 72.564 18.141 -1.201 1.00 1.00 H new ATOM 0 HE1 PHE A 992 74.829 19.349 -5.439 1.00 1.00 H new ATOM 0 HE2 PHE A 992 74.998 17.763 -1.456 1.00 1.00 H new ATOM 0 HZ PHE A 992 76.129 18.365 -3.577 1.00 1.00 H new ATOM 589 N PHE A 993 68.710 19.249 -5.243 1.00 1.00 N ATOM 590 CA PHE A 993 68.182 18.824 -6.534 1.00 1.00 C ATOM 591 C PHE A 993 67.430 19.962 -7.222 1.00 1.00 C ATOM 592 O PHE A 993 67.320 19.973 -8.449 1.00 1.00 O ATOM 593 CB PHE A 993 67.277 17.607 -6.384 1.00 1.00 C ATOM 594 CG PHE A 993 68.136 16.374 -6.222 1.00 1.00 C ATOM 595 CD1 PHE A 993 68.872 15.894 -7.313 1.00 1.00 C ATOM 596 CD2 PHE A 993 68.191 15.708 -4.992 1.00 1.00 C ATOM 597 CE1 PHE A 993 69.665 14.749 -7.173 1.00 1.00 C ATOM 598 CE2 PHE A 993 68.987 14.561 -4.854 1.00 1.00 C ATOM 599 CZ PHE A 993 69.722 14.083 -5.943 1.00 1.00 C ATOM 0 H PHE A 993 68.144 18.982 -4.438 1.00 1.00 H new ATOM 0 HA PHE A 993 69.030 18.545 -7.159 1.00 1.00 H new ATOM 0 HB2 PHE A 993 66.624 17.727 -5.520 1.00 1.00 H new ATOM 0 HB3 PHE A 993 66.634 17.506 -7.258 1.00 1.00 H new ATOM 0 HD1 PHE A 993 68.828 16.407 -8.262 1.00 1.00 H new ATOM 0 HD2 PHE A 993 67.622 16.076 -4.151 1.00 1.00 H new ATOM 0 HE1 PHE A 993 70.233 14.379 -8.014 1.00 1.00 H new ATOM 0 HE2 PHE A 993 69.032 14.047 -3.905 1.00 1.00 H new ATOM 0 HZ PHE A 993 70.334 13.200 -5.835 1.00 1.00 H new ATOM 804 N ASP B 692 76.676 -15.940 6.819 1.00 1.00 N ATOM 805 CA ASP B 692 76.067 -15.477 8.062 1.00 1.00 C ATOM 806 C ASP B 692 74.878 -14.565 7.766 1.00 1.00 C ATOM 807 O ASP B 692 74.895 -13.808 6.793 1.00 1.00 O ATOM 808 CB ASP B 692 77.100 -14.718 8.898 1.00 1.00 C ATOM 809 CG ASP B 692 78.135 -15.688 9.460 1.00 1.00 C ATOM 810 OD1 ASP B 692 77.880 -16.881 9.420 1.00 1.00 O ATOM 811 OD2 ASP B 692 79.162 -15.223 9.924 1.00 1.00 O ATOM 0 HA ASP B 692 75.716 -16.345 8.620 1.00 1.00 H new ATOM 0 HB2 ASP B 692 77.593 -13.964 8.284 1.00 1.00 H new ATOM 0 HB3 ASP B 692 76.604 -14.191 9.713 1.00 1.00 H new ATOM 816 N ILE B 693 73.835 -14.667 8.585 1.00 1.00 N ATOM 817 CA ILE B 693 72.623 -13.877 8.382 1.00 1.00 C ATOM 818 C ILE B 693 72.879 -12.376 8.494 1.00 1.00 C ATOM 819 O ILE B 693 72.381 -11.601 7.678 1.00 1.00 O ATOM 820 CB ILE B 693 71.562 -14.270 9.417 1.00 1.00 C ATOM 821 CG1 ILE B 693 71.060 -15.690 9.141 1.00 1.00 C ATOM 822 CG2 ILE B 693 70.394 -13.290 9.340 1.00 1.00 C ATOM 823 CD1 ILE B 693 70.228 -16.180 10.328 1.00 1.00 C ATOM 0 H ILE B 693 73.804 -15.287 9.394 1.00 1.00 H new ATOM 0 HA ILE B 693 72.275 -14.089 7.371 1.00 1.00 H new ATOM 0 HB ILE B 693 72.003 -14.238 10.413 1.00 1.00 H new ATOM 0 HG12 ILE B 693 70.459 -15.704 8.232 1.00 1.00 H new ATOM 0 HG13 ILE B 693 71.904 -16.359 8.975 1.00 1.00 H new ATOM 0 HG21 ILE B 693 69.638 -13.567 10.075 1.00 1.00 H new ATOM 0 HG22 ILE B 693 70.751 -12.281 9.549 1.00 1.00 H new ATOM 0 HG23 ILE B 693 69.958 -13.321 8.341 1.00 1.00 H new ATOM 0 HD11 ILE B 693 69.871 -17.191 10.130 1.00 1.00 H new ATOM 0 HD12 ILE B 693 70.844 -16.182 11.228 1.00 1.00 H new ATOM 0 HD13 ILE B 693 69.375 -15.517 10.473 1.00 1.00 H new ATOM 835 N LEU B 694 73.646 -11.956 9.496 1.00 1.00 N ATOM 836 CA LEU B 694 73.933 -10.537 9.672 1.00 1.00 C ATOM 837 C LEU B 694 74.698 -9.996 8.468 1.00 1.00 C ATOM 838 O LEU B 694 74.412 -8.905 7.981 1.00 1.00 O ATOM 839 CB LEU B 694 74.761 -10.324 10.941 1.00 1.00 C ATOM 840 CG LEU B 694 73.898 -10.620 12.171 1.00 1.00 C ATOM 841 CD1 LEU B 694 74.779 -10.619 13.418 1.00 1.00 C ATOM 842 CD2 LEU B 694 72.804 -9.555 12.321 1.00 1.00 C ATOM 0 H LEU B 694 74.075 -12.569 10.190 1.00 1.00 H new ATOM 0 HA LEU B 694 72.988 -10.002 9.762 1.00 1.00 H new ATOM 0 HB2 LEU B 694 75.635 -10.976 10.931 1.00 1.00 H new ATOM 0 HB3 LEU B 694 75.129 -9.299 10.980 1.00 1.00 H new ATOM 0 HG LEU B 694 73.428 -11.596 12.049 1.00 1.00 H new ATOM 0 HD11 LEU B 694 74.168 -10.829 14.296 1.00 1.00 H new ATOM 0 HD12 LEU B 694 75.549 -11.384 13.320 1.00 1.00 H new ATOM 0 HD13 LEU B 694 75.250 -9.643 13.530 1.00 1.00 H new ATOM 0 HD21 LEU B 694 72.198 -9.777 13.199 1.00 1.00 H new ATOM 0 HD22 LEU B 694 73.265 -8.574 12.437 1.00 1.00 H new ATOM 0 HD23 LEU B 694 72.171 -9.556 11.434 1.00 1.00 H new ATOM 854 N VAL B 695 75.676 -10.764 7.998 1.00 1.00 N ATOM 855 CA VAL B 695 76.484 -10.348 6.858 1.00 1.00 C ATOM 856 C VAL B 695 75.625 -10.194 5.607 1.00 1.00 C ATOM 857 O VAL B 695 75.740 -9.198 4.885 1.00 1.00 O ATOM 858 CB VAL B 695 77.584 -11.377 6.595 1.00 1.00 C ATOM 859 CG1 VAL B 695 78.294 -11.048 5.281 1.00 1.00 C ATOM 860 CG2 VAL B 695 78.596 -11.345 7.743 1.00 1.00 C ATOM 0 H VAL B 695 75.927 -11.673 8.387 1.00 1.00 H new ATOM 0 HA VAL B 695 76.932 -9.383 7.095 1.00 1.00 H new ATOM 0 HB VAL B 695 77.140 -12.370 6.526 1.00 1.00 H new ATOM 0 HG11 VAL B 695 79.077 -11.783 5.097 1.00 1.00 H new ATOM 0 HG12 VAL B 695 77.574 -11.072 4.463 1.00 1.00 H new ATOM 0 HG13 VAL B 695 78.737 -10.054 5.346 1.00 1.00 H new ATOM 0 HG21 VAL B 695 79.381 -12.078 7.557 1.00 1.00 H new ATOM 0 HG22 VAL B 695 79.037 -10.351 7.811 1.00 1.00 H new ATOM 0 HG23 VAL B 695 78.092 -11.583 8.679 1.00 1.00 H new ATOM 870 N VAL B 696 74.757 -11.166 5.360 1.00 1.00 N ATOM 871 CA VAL B 696 73.878 -11.115 4.200 1.00 1.00 C ATOM 872 C VAL B 696 72.933 -9.922 4.308 1.00 1.00 C ATOM 873 O VAL B 696 72.700 -9.211 3.334 1.00 1.00 O ATOM 874 CB VAL B 696 73.053 -12.403 4.112 1.00 1.00 C ATOM 875 CG1 VAL B 696 71.985 -12.253 3.030 1.00 1.00 C ATOM 876 CG2 VAL B 696 73.976 -13.570 3.755 1.00 1.00 C ATOM 0 H VAL B 696 74.643 -11.995 5.944 1.00 1.00 H new ATOM 0 HA VAL B 696 74.491 -11.011 3.305 1.00 1.00 H new ATOM 0 HB VAL B 696 72.573 -12.594 5.072 1.00 1.00 H new ATOM 0 HG11 VAL B 696 71.399 -13.170 2.968 1.00 1.00 H new ATOM 0 HG12 VAL B 696 71.329 -11.419 3.279 1.00 1.00 H new ATOM 0 HG13 VAL B 696 72.464 -12.063 2.070 1.00 1.00 H new ATOM 0 HG21 VAL B 696 73.393 -14.489 3.691 1.00 1.00 H new ATOM 0 HG22 VAL B 696 74.453 -13.376 2.794 1.00 1.00 H new ATOM 0 HG23 VAL B 696 74.740 -13.678 4.525 1.00 1.00 H new ATOM 886 N LEU B 697 72.377 -9.733 5.495 1.00 1.00 N ATOM 887 CA LEU B 697 71.434 -8.648 5.732 1.00 1.00 C ATOM 888 C LEU B 697 72.070 -7.277 5.501 1.00 1.00 C ATOM 889 O LEU B 697 71.464 -6.403 4.879 1.00 1.00 O ATOM 890 CB LEU B 697 70.942 -8.748 7.184 1.00 1.00 C ATOM 891 CG LEU B 697 70.005 -7.577 7.524 1.00 1.00 C ATOM 892 CD1 LEU B 697 68.850 -7.534 6.536 1.00 1.00 C ATOM 893 CD2 LEU B 697 69.446 -7.769 8.934 1.00 1.00 C ATOM 0 H LEU B 697 72.562 -10.317 6.311 1.00 1.00 H new ATOM 0 HA LEU B 697 70.607 -8.745 5.029 1.00 1.00 H new ATOM 0 HB2 LEU B 697 70.419 -9.693 7.331 1.00 1.00 H new ATOM 0 HB3 LEU B 697 71.795 -8.746 7.863 1.00 1.00 H new ATOM 0 HG LEU B 697 70.566 -6.644 7.468 1.00 1.00 H new ATOM 0 HD11 LEU B 697 68.191 -6.702 6.783 1.00 1.00 H new ATOM 0 HD12 LEU B 697 69.239 -7.401 5.527 1.00 1.00 H new ATOM 0 HD13 LEU B 697 68.291 -8.468 6.589 1.00 1.00 H new ATOM 0 HD21 LEU B 697 68.781 -6.940 9.178 1.00 1.00 H new ATOM 0 HD22 LEU B 697 68.890 -8.706 8.981 1.00 1.00 H new ATOM 0 HD23 LEU B 697 70.267 -7.798 9.650 1.00 1.00 H new ATOM 905 N LEU B 698 73.288 -7.095 5.999 1.00 1.00 N ATOM 906 CA LEU B 698 73.993 -5.829 5.831 1.00 1.00 C ATOM 907 C LEU B 698 74.296 -5.568 4.357 1.00 1.00 C ATOM 908 O LEU B 698 74.154 -4.444 3.866 1.00 1.00 O ATOM 909 CB LEU B 698 75.303 -5.849 6.620 1.00 1.00 C ATOM 910 CG LEU B 698 75.001 -5.821 8.124 1.00 1.00 C ATOM 911 CD1 LEU B 698 76.293 -6.074 8.903 1.00 1.00 C ATOM 912 CD2 LEU B 698 74.428 -4.454 8.524 1.00 1.00 C ATOM 0 H LEU B 698 73.806 -7.803 6.519 1.00 1.00 H new ATOM 0 HA LEU B 698 73.351 -5.032 6.206 1.00 1.00 H new ATOM 0 HB2 LEU B 698 75.875 -6.743 6.371 1.00 1.00 H new ATOM 0 HB3 LEU B 698 75.917 -4.991 6.346 1.00 1.00 H new ATOM 0 HG LEU B 698 74.269 -6.595 8.355 1.00 1.00 H new ATOM 0 HD11 LEU B 698 76.083 -6.055 9.972 1.00 1.00 H new ATOM 0 HD12 LEU B 698 76.698 -7.049 8.630 1.00 1.00 H new ATOM 0 HD13 LEU B 698 77.021 -5.299 8.662 1.00 1.00 H new ATOM 0 HD21 LEU B 698 74.218 -4.446 9.593 1.00 1.00 H new ATOM 0 HD22 LEU B 698 75.152 -3.674 8.291 1.00 1.00 H new ATOM 0 HD23 LEU B 698 73.506 -4.270 7.972 1.00 1.00 H new ATOM 924 N SER B 699 74.723 -6.621 3.666 1.00 1.00 N ATOM 925 CA SER B 699 75.066 -6.530 2.253 1.00 1.00 C ATOM 926 C SER B 699 73.868 -6.123 1.396 1.00 1.00 C ATOM 927 O SER B 699 74.016 -5.339 0.457 1.00 1.00 O ATOM 928 CB SER B 699 75.613 -7.877 1.781 1.00 1.00 C ATOM 929 OG SER B 699 74.673 -8.896 2.094 1.00 1.00 O ATOM 0 H SER B 699 74.840 -7.552 4.066 1.00 1.00 H new ATOM 0 HA SER B 699 75.823 -5.755 2.138 1.00 1.00 H new ATOM 0 HB2 SER B 699 75.797 -7.852 0.707 1.00 1.00 H new ATOM 0 HB3 SER B 699 76.568 -8.085 2.264 1.00 1.00 H new ATOM 0 HG SER B 699 73.922 -8.507 2.589 1.00 1.00 H new ATOM 935 N VAL B 700 72.685 -6.655 1.703 1.00 1.00 N ATOM 936 CA VAL B 700 71.483 -6.329 0.932 1.00 1.00 C ATOM 937 C VAL B 700 71.134 -4.851 1.069 1.00 1.00 C ATOM 938 O VAL B 700 70.840 -4.175 0.086 1.00 1.00 O ATOM 939 CB VAL B 700 70.305 -7.177 1.413 1.00 1.00 C ATOM 940 CG1 VAL B 700 69.018 -6.677 0.748 1.00 1.00 C ATOM 941 CG2 VAL B 700 70.539 -8.637 1.024 1.00 1.00 C ATOM 0 H VAL B 700 72.532 -7.307 2.472 1.00 1.00 H new ATOM 0 HA VAL B 700 71.684 -6.546 -0.117 1.00 1.00 H new ATOM 0 HB VAL B 700 70.215 -7.097 2.496 1.00 1.00 H new ATOM 0 HG11 VAL B 700 68.175 -7.279 1.088 1.00 1.00 H new ATOM 0 HG12 VAL B 700 68.851 -5.634 1.017 1.00 1.00 H new ATOM 0 HG13 VAL B 700 69.111 -6.762 -0.335 1.00 1.00 H new ATOM 0 HG21 VAL B 700 69.700 -9.244 1.366 1.00 1.00 H new ATOM 0 HG22 VAL B 700 70.625 -8.715 -0.060 1.00 1.00 H new ATOM 0 HG23 VAL B 700 71.458 -8.994 1.488 1.00 1.00 H new ATOM 951 N MET B 701 71.191 -4.364 2.292 1.00 1.00 N ATOM 952 CA MET B 701 70.891 -2.955 2.558 1.00 1.00 C ATOM 953 C MET B 701 71.887 -2.038 1.864 1.00 1.00 C ATOM 954 O MET B 701 71.495 -1.005 1.326 1.00 1.00 O ATOM 955 CB MET B 701 70.864 -2.669 4.056 1.00 1.00 C ATOM 956 CG MET B 701 69.553 -3.209 4.646 1.00 1.00 C ATOM 957 SD MET B 701 69.568 -3.028 6.446 1.00 1.00 S ATOM 958 CE MET B 701 69.448 -1.219 6.504 1.00 1.00 C ATOM 0 H MET B 701 71.439 -4.910 3.117 1.00 1.00 H new ATOM 0 HA MET B 701 69.900 -2.753 2.152 1.00 1.00 H new ATOM 0 HB2 MET B 701 71.718 -3.139 4.544 1.00 1.00 H new ATOM 0 HB3 MET B 701 70.944 -1.597 4.236 1.00 1.00 H new ATOM 0 HG2 MET B 701 68.705 -2.670 4.225 1.00 1.00 H new ATOM 0 HG3 MET B 701 69.428 -4.258 4.378 1.00 1.00 H new ATOM 0 HE1 MET B 701 68.807 -0.923 7.334 1.00 1.00 H new ATOM 0 HE2 MET B 701 70.441 -0.793 6.643 1.00 1.00 H new ATOM 0 HE3 MET B 701 69.024 -0.852 5.569 1.00 1.00 H new ATOM 968 N GLY B 702 73.165 -2.423 1.846 1.00 1.00 N ATOM 969 CA GLY B 702 74.179 -1.621 1.176 1.00 1.00 C ATOM 970 C GLY B 702 73.925 -1.581 -0.328 1.00 1.00 C ATOM 971 O GLY B 702 74.077 -0.539 -0.956 1.00 1.00 O ATOM 0 H GLY B 702 73.515 -3.275 2.283 1.00 1.00 H new ATOM 0 HA2 GLY B 702 74.173 -0.608 1.578 1.00 1.00 H new ATOM 0 HA3 GLY B 702 75.167 -2.037 1.372 1.00 1.00 H new ATOM 975 N ALA B 703 73.551 -2.731 -0.889 1.00 1.00 N ATOM 976 CA ALA B 703 73.282 -2.830 -2.319 1.00 1.00 C ATOM 977 C ALA B 703 72.106 -1.923 -2.714 1.00 1.00 C ATOM 978 O ALA B 703 72.145 -1.251 -3.765 1.00 1.00 O ATOM 979 CB ALA B 703 72.912 -4.281 -2.656 1.00 1.00 C ATOM 0 H ALA B 703 73.428 -3.603 -0.375 1.00 1.00 H new ATOM 0 HA ALA B 703 74.173 -2.519 -2.865 1.00 1.00 H new ATOM 0 HB1 ALA B 703 72.709 -4.366 -3.723 1.00 1.00 H new ATOM 0 HB2 ALA B 703 73.740 -4.939 -2.391 1.00 1.00 H new ATOM 0 HB3 ALA B 703 72.024 -4.570 -2.093 1.00 1.00 H new ATOM 985 N ILE B 704 71.100 -1.856 -1.838 1.00 1.00 N ATOM 986 CA ILE B 704 69.973 -0.989 -2.107 1.00 1.00 C ATOM 987 C ILE B 704 70.453 0.461 -2.221 1.00 1.00 C ATOM 988 O ILE B 704 70.012 1.210 -3.105 1.00 1.00 O ATOM 989 CB ILE B 704 68.940 -1.048 -0.970 1.00 1.00 C ATOM 990 CG1 ILE B 704 68.216 -2.418 -0.929 1.00 1.00 C ATOM 991 CG2 ILE B 704 67.921 0.079 -1.141 1.00 1.00 C ATOM 992 CD1 ILE B 704 67.511 -2.729 -2.257 1.00 1.00 C ATOM 0 H ILE B 704 71.050 -2.379 -0.964 1.00 1.00 H new ATOM 0 HA ILE B 704 69.514 -1.327 -3.036 1.00 1.00 H new ATOM 0 HB ILE B 704 69.469 -0.924 -0.025 1.00 1.00 H new ATOM 0 HG12 ILE B 704 68.938 -3.204 -0.708 1.00 1.00 H new ATOM 0 HG13 ILE B 704 67.485 -2.419 -0.120 1.00 1.00 H new ATOM 0 HG21 ILE B 704 67.190 0.034 -0.334 1.00 1.00 H new ATOM 0 HG22 ILE B 704 68.434 1.040 -1.114 1.00 1.00 H new ATOM 0 HG23 ILE B 704 67.412 -0.033 -2.098 1.00 1.00 H new ATOM 0 HD11 ILE B 704 67.016 -3.697 -2.188 1.00 1.00 H new ATOM 0 HD12 ILE B 704 66.771 -1.957 -2.466 1.00 1.00 H new ATOM 0 HD13 ILE B 704 68.246 -2.754 -3.062 1.00 1.00 H new ATOM 1004 N LEU B 705 71.352 0.870 -1.304 1.00 1.00 N ATOM 1005 CA LEU B 705 71.833 2.259 -1.335 1.00 1.00 C ATOM 1006 C LEU B 705 72.543 2.549 -2.656 1.00 1.00 C ATOM 1007 O LEU B 705 72.319 3.584 -3.284 1.00 1.00 O ATOM 1008 CB LEU B 705 72.848 2.522 -0.213 1.00 1.00 C ATOM 1009 CG LEU B 705 72.121 2.963 1.065 1.00 1.00 C ATOM 1010 CD1 LEU B 705 71.319 1.810 1.653 1.00 1.00 C ATOM 1011 CD2 LEU B 705 73.131 3.444 2.110 1.00 1.00 C ATOM 0 H LEU B 705 71.744 0.286 -0.565 1.00 1.00 H new ATOM 0 HA LEU B 705 70.959 2.898 -1.211 1.00 1.00 H new ATOM 0 HB2 LEU B 705 73.428 1.620 -0.018 1.00 1.00 H new ATOM 0 HB3 LEU B 705 73.553 3.293 -0.524 1.00 1.00 H new ATOM 0 HG LEU B 705 71.445 3.777 0.802 1.00 1.00 H new ATOM 0 HD11 LEU B 705 70.812 2.144 2.558 1.00 1.00 H new ATOM 0 HD12 LEU B 705 70.580 1.473 0.926 1.00 1.00 H new ATOM 0 HD13 LEU B 705 71.990 0.987 1.896 1.00 1.00 H new ATOM 0 HD21 LEU B 705 72.602 3.754 3.011 1.00 1.00 H new ATOM 0 HD22 LEU B 705 73.818 2.633 2.353 1.00 1.00 H new ATOM 0 HD23 LEU B 705 73.693 4.288 1.711 1.00 1.00 H new ATOM 1023 N LEU B 706 73.373 1.613 -3.102 1.00 1.00 N ATOM 1024 CA LEU B 706 74.077 1.814 -4.375 1.00 1.00 C ATOM 1025 C LEU B 706 73.095 1.913 -5.539 1.00 1.00 C ATOM 1026 O LEU B 706 73.237 2.781 -6.391 1.00 1.00 O ATOM 1027 CB LEU B 706 75.052 0.683 -4.605 1.00 1.00 C ATOM 1028 CG LEU B 706 75.832 0.893 -5.915 1.00 1.00 C ATOM 1029 CD1 LEU B 706 76.617 2.205 -5.858 1.00 1.00 C ATOM 1030 CD2 LEU B 706 76.821 -0.255 -6.136 1.00 1.00 C ATOM 0 H LEU B 706 73.575 0.734 -2.625 1.00 1.00 H new ATOM 0 HA LEU B 706 74.625 2.755 -4.320 1.00 1.00 H new ATOM 0 HB2 LEU B 706 75.748 0.620 -3.768 1.00 1.00 H new ATOM 0 HB3 LEU B 706 74.514 -0.264 -4.644 1.00 1.00 H new ATOM 0 HG LEU B 706 75.114 0.925 -6.734 1.00 1.00 H new ATOM 0 HD11 LEU B 706 77.165 2.342 -6.790 1.00 1.00 H new ATOM 0 HD12 LEU B 706 75.926 3.036 -5.717 1.00 1.00 H new ATOM 0 HD13 LEU B 706 77.320 2.172 -5.026 1.00 1.00 H new ATOM 0 HD21 LEU B 706 77.365 -0.092 -7.066 1.00 1.00 H new ATOM 0 HD22 LEU B 706 77.526 -0.293 -5.305 1.00 1.00 H new ATOM 0 HD23 LEU B 706 76.277 -1.198 -6.194 1.00 1.00 H new ATOM 1042 N ILE B 707 72.099 1.032 -5.577 1.00 1.00 N ATOM 1043 CA ILE B 707 71.125 1.049 -6.647 1.00 1.00 C ATOM 1044 C ILE B 707 70.319 2.348 -6.674 1.00 1.00 C ATOM 1045 O ILE B 707 70.119 2.942 -7.730 1.00 1.00 O ATOM 1046 CB ILE B 707 70.162 -0.137 -6.467 1.00 1.00 C ATOM 1047 CG1 ILE B 707 70.938 -1.425 -6.703 1.00 1.00 C ATOM 1048 CG2 ILE B 707 69.020 -0.044 -7.476 1.00 1.00 C ATOM 1049 CD1 ILE B 707 70.103 -2.630 -6.284 1.00 1.00 C ATOM 0 H ILE B 707 71.951 0.303 -4.879 1.00 1.00 H new ATOM 0 HA ILE B 707 71.665 0.974 -7.591 1.00 1.00 H new ATOM 0 HB ILE B 707 69.744 -0.122 -5.461 1.00 1.00 H new ATOM 0 HG12 ILE B 707 71.206 -1.508 -7.756 1.00 1.00 H new ATOM 0 HG13 ILE B 707 71.870 -1.405 -6.138 1.00 1.00 H new ATOM 0 HG21 ILE B 707 68.344 -0.888 -7.340 1.00 1.00 H new ATOM 0 HG22 ILE B 707 68.474 0.886 -7.322 1.00 1.00 H new ATOM 0 HG23 ILE B 707 69.426 -0.064 -8.488 1.00 1.00 H new ATOM 0 HD11 ILE B 707 70.670 -3.544 -6.458 1.00 1.00 H new ATOM 0 HD12 ILE B 707 69.857 -2.552 -5.225 1.00 1.00 H new ATOM 0 HD13 ILE B 707 69.184 -2.657 -6.869 1.00 1.00 H new ATOM 1061 N GLY B 708 69.862 2.778 -5.509 1.00 1.00 N ATOM 1062 CA GLY B 708 69.091 4.012 -5.427 1.00 1.00 C ATOM 1063 C GLY B 708 69.977 5.234 -5.672 1.00 1.00 C ATOM 1064 O GLY B 708 69.569 6.188 -6.325 1.00 1.00 O ATOM 0 H GLY B 708 70.007 2.301 -4.619 1.00 1.00 H new ATOM 0 HA2 GLY B 708 68.286 3.990 -6.161 1.00 1.00 H new ATOM 0 HA3 GLY B 708 68.625 4.088 -4.445 1.00 1.00 H new ATOM 1068 N LEU B 709 71.183 5.203 -5.132 1.00 1.00 N ATOM 1069 CA LEU B 709 72.131 6.305 -5.282 1.00 1.00 C ATOM 1070 C LEU B 709 72.639 6.487 -6.713 1.00 1.00 C ATOM 1071 O LEU B 709 72.888 7.608 -7.143 1.00 1.00 O ATOM 1072 CB LEU B 709 73.317 6.117 -4.336 1.00 1.00 C ATOM 1073 CG LEU B 709 72.879 6.334 -2.874 1.00 1.00 C ATOM 1074 CD1 LEU B 709 73.980 5.851 -1.926 1.00 1.00 C ATOM 1075 CD2 LEU B 709 72.617 7.827 -2.608 1.00 1.00 C ATOM 0 H LEU B 709 71.536 4.421 -4.580 1.00 1.00 H new ATOM 0 HA LEU B 709 71.582 7.211 -5.026 1.00 1.00 H new ATOM 0 HB2 LEU B 709 73.729 5.115 -4.454 1.00 1.00 H new ATOM 0 HB3 LEU B 709 74.110 6.820 -4.593 1.00 1.00 H new ATOM 0 HG LEU B 709 71.963 5.769 -2.702 1.00 1.00 H new ATOM 0 HD11 LEU B 709 73.666 6.007 -0.894 1.00 1.00 H new ATOM 0 HD12 LEU B 709 74.164 4.790 -2.093 1.00 1.00 H new ATOM 0 HD13 LEU B 709 74.895 6.412 -2.115 1.00 1.00 H new ATOM 0 HD21 LEU B 709 72.309 7.963 -1.571 1.00 1.00 H new ATOM 0 HD22 LEU B 709 73.529 8.395 -2.793 1.00 1.00 H new ATOM 0 HD23 LEU B 709 71.828 8.182 -3.271 1.00 1.00 H new ATOM 1087 N ALA B 710 72.859 5.386 -7.435 1.00 1.00 N ATOM 1088 CA ALA B 710 73.409 5.494 -8.785 1.00 1.00 C ATOM 1089 C ALA B 710 72.588 6.447 -9.652 1.00 1.00 C ATOM 1090 O ALA B 710 73.140 7.419 -10.165 1.00 1.00 O ATOM 1091 CB ALA B 710 73.514 4.110 -9.436 1.00 1.00 C ATOM 0 H ALA B 710 72.671 4.435 -7.118 1.00 1.00 H new ATOM 0 HA ALA B 710 74.412 5.913 -8.704 1.00 1.00 H new ATOM 0 HB1 ALA B 710 73.925 4.211 -10.440 1.00 1.00 H new ATOM 0 HB2 ALA B 710 74.168 3.475 -8.838 1.00 1.00 H new ATOM 0 HB3 ALA B 710 72.523 3.659 -9.493 1.00 1.00 H new ATOM 1097 N PRO B 711 71.305 6.232 -9.828 1.00 1.00 N ATOM 1098 CA PRO B 711 70.481 7.162 -10.647 1.00 1.00 C ATOM 1099 C PRO B 711 70.608 8.604 -10.155 1.00 1.00 C ATOM 1100 O PRO B 711 70.781 9.533 -10.944 1.00 1.00 O ATOM 1101 CB PRO B 711 69.043 6.675 -10.431 1.00 1.00 C ATOM 1102 CG PRO B 711 69.158 5.254 -9.991 1.00 1.00 C ATOM 1103 CD PRO B 711 70.512 5.112 -9.298 1.00 1.00 C ATOM 0 HA PRO B 711 70.791 7.161 -11.692 1.00 1.00 H new ATOM 0 HB2 PRO B 711 68.535 7.278 -9.678 1.00 1.00 H new ATOM 0 HB3 PRO B 711 68.461 6.754 -11.349 1.00 1.00 H new ATOM 0 HG2 PRO B 711 68.347 4.994 -9.311 1.00 1.00 H new ATOM 0 HG3 PRO B 711 69.088 4.579 -10.844 1.00 1.00 H new ATOM 0 HD2 PRO B 711 70.413 5.171 -8.214 1.00 1.00 H new ATOM 0 HD3 PRO B 711 70.977 4.152 -9.524 1.00 1.00 H new ATOM 1111 N LEU B 712 70.545 8.770 -8.837 1.00 1.00 N ATOM 1112 CA LEU B 712 70.675 10.088 -8.224 1.00 1.00 C ATOM 1113 C LEU B 712 72.073 10.656 -8.460 1.00 1.00 C ATOM 1114 O LEU B 712 72.231 11.838 -8.755 1.00 1.00 O ATOM 1115 CB LEU B 712 70.409 9.988 -6.722 1.00 1.00 C ATOM 1116 CG LEU B 712 68.925 9.683 -6.475 1.00 1.00 C ATOM 1117 CD1 LEU B 712 68.706 9.374 -4.991 1.00 1.00 C ATOM 1118 CD2 LEU B 712 68.060 10.888 -6.873 1.00 1.00 C ATOM 0 H LEU B 712 70.405 8.008 -8.173 1.00 1.00 H new ATOM 0 HA LEU B 712 69.945 10.756 -8.681 1.00 1.00 H new ATOM 0 HB2 LEU B 712 71.028 9.204 -6.285 1.00 1.00 H new ATOM 0 HB3 LEU B 712 70.684 10.922 -6.232 1.00 1.00 H new ATOM 0 HG LEU B 712 68.638 8.822 -7.079 1.00 1.00 H new ATOM 0 HD11 LEU B 712 67.652 9.158 -4.816 1.00 1.00 H new ATOM 0 HD12 LEU B 712 69.306 8.509 -4.707 1.00 1.00 H new ATOM 0 HD13 LEU B 712 69.004 10.235 -4.392 1.00 1.00 H new ATOM 0 HD21 LEU B 712 67.010 10.658 -6.693 1.00 1.00 H new ATOM 0 HD22 LEU B 712 68.349 11.755 -6.279 1.00 1.00 H new ATOM 0 HD23 LEU B 712 68.207 11.108 -7.931 1.00 1.00 H new ATOM 1130 N LEU B 713 73.084 9.805 -8.321 1.00 1.00 N ATOM 1131 CA LEU B 713 74.467 10.237 -8.512 1.00 1.00 C ATOM 1132 C LEU B 713 74.693 10.711 -9.940 1.00 1.00 C ATOM 1133 O LEU B 713 75.356 11.721 -10.171 1.00 1.00 O ATOM 1134 CB LEU B 713 75.427 9.089 -8.192 1.00 1.00 C ATOM 1135 CG LEU B 713 75.590 8.953 -6.673 1.00 1.00 C ATOM 1136 CD1 LEU B 713 76.347 7.662 -6.363 1.00 1.00 C ATOM 1137 CD2 LEU B 713 76.378 10.147 -6.107 1.00 1.00 C ATOM 0 H LEU B 713 72.975 8.820 -8.079 1.00 1.00 H new ATOM 0 HA LEU B 713 74.660 11.068 -7.834 1.00 1.00 H new ATOM 0 HB2 LEU B 713 75.046 8.157 -8.610 1.00 1.00 H new ATOM 0 HB3 LEU B 713 76.396 9.274 -8.655 1.00 1.00 H new ATOM 0 HG LEU B 713 74.602 8.931 -6.213 1.00 1.00 H new ATOM 0 HD11 LEU B 713 76.466 7.560 -5.284 1.00 1.00 H new ATOM 0 HD12 LEU B 713 75.787 6.810 -6.748 1.00 1.00 H new ATOM 0 HD13 LEU B 713 77.329 7.694 -6.835 1.00 1.00 H new ATOM 0 HD21 LEU B 713 76.484 10.034 -5.028 1.00 1.00 H new ATOM 0 HD22 LEU B 713 77.365 10.182 -6.567 1.00 1.00 H new ATOM 0 HD23 LEU B 713 75.843 11.072 -6.324 1.00 1.00 H new ATOM 1149 N ILE B 714 74.134 9.981 -10.897 1.00 1.00 N ATOM 1150 CA ILE B 714 74.287 10.353 -12.296 1.00 1.00 C ATOM 1151 C ILE B 714 73.630 11.706 -12.550 1.00 1.00 C ATOM 1152 O ILE B 714 74.202 12.575 -13.210 1.00 1.00 O ATOM 1153 CB ILE B 714 73.649 9.294 -13.195 1.00 1.00 C ATOM 1154 CG1 ILE B 714 74.451 7.991 -13.103 1.00 1.00 C ATOM 1155 CG2 ILE B 714 73.646 9.790 -14.642 1.00 1.00 C ATOM 1156 CD1 ILE B 714 73.668 6.859 -13.772 1.00 1.00 C ATOM 0 H ILE B 714 73.579 9.141 -10.734 1.00 1.00 H new ATOM 0 HA ILE B 714 75.350 10.421 -12.526 1.00 1.00 H new ATOM 0 HB ILE B 714 72.625 9.112 -12.870 1.00 1.00 H new ATOM 0 HG12 ILE B 714 75.420 8.113 -13.588 1.00 1.00 H new ATOM 0 HG13 ILE B 714 74.646 7.745 -12.059 1.00 1.00 H new ATOM 0 HG21 ILE B 714 73.191 9.036 -15.284 1.00 1.00 H new ATOM 0 HG22 ILE B 714 73.074 10.716 -14.708 1.00 1.00 H new ATOM 0 HG23 ILE B 714 74.671 9.973 -14.966 1.00 1.00 H new ATOM 0 HD11 ILE B 714 74.239 5.933 -13.706 1.00 1.00 H new ATOM 0 HD12 ILE B 714 72.710 6.731 -13.267 1.00 1.00 H new ATOM 0 HD13 ILE B 714 73.496 7.105 -14.820 1.00 1.00 H new ATOM 1168 N TRP B 715 72.434 11.884 -12.001 1.00 1.00 N ATOM 1169 CA TRP B 715 71.707 13.140 -12.152 1.00 1.00 C ATOM 1170 C TRP B 715 72.502 14.285 -11.513 1.00 1.00 C ATOM 1171 O TRP B 715 72.693 15.340 -12.115 1.00 1.00 O ATOM 1172 CB TRP B 715 70.336 12.952 -11.486 1.00 1.00 C ATOM 1173 CG TRP B 715 69.565 14.230 -11.374 1.00 1.00 C ATOM 1174 CD1 TRP B 715 69.765 15.350 -12.100 1.00 1.00 C ATOM 1175 CD2 TRP B 715 68.429 14.506 -10.502 1.00 1.00 C ATOM 1176 NE1 TRP B 715 68.841 16.310 -11.705 1.00 1.00 N ATOM 1177 CE2 TRP B 715 67.994 15.832 -10.729 1.00 1.00 C ATOM 1178 CE3 TRP B 715 67.749 13.740 -9.538 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 66.919 16.378 -10.026 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 66.665 14.284 -8.831 1.00 1.00 C ATOM 1181 CH2 TRP B 715 66.251 15.600 -9.075 1.00 1.00 C ATOM 0 H TRP B 715 71.948 11.177 -11.449 1.00 1.00 H new ATOM 0 HA TRP B 715 71.571 13.400 -13.202 1.00 1.00 H new ATOM 0 HB2 TRP B 715 69.754 12.231 -12.060 1.00 1.00 H new ATOM 0 HB3 TRP B 715 70.475 12.529 -10.491 1.00 1.00 H new ATOM 0 HD1 TRP B 715 70.519 15.479 -12.862 1.00 1.00 H new ATOM 0 HE1 TRP B 715 68.795 17.253 -12.091 1.00 1.00 H new ATOM 0 HE3 TRP B 715 68.063 12.726 -9.340 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 66.605 17.394 -10.215 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 66.148 13.685 -8.096 1.00 1.00 H new ATOM 0 HH2 TRP B 715 65.416 16.014 -8.529 1.00 1.00 H new ATOM 1192 N LYS B 716 72.963 14.063 -10.291 1.00 1.00 N ATOM 1193 CA LYS B 716 73.725 15.080 -9.571 1.00 1.00 C ATOM 1194 C LYS B 716 75.008 15.445 -10.322 1.00 1.00 C ATOM 1195 O LYS B 716 75.362 16.622 -10.423 1.00 1.00 O ATOM 1196 CB LYS B 716 74.091 14.560 -8.176 1.00 1.00 C ATOM 1197 CG LYS B 716 74.447 15.732 -7.245 1.00 1.00 C ATOM 1198 CD LYS B 716 73.227 16.198 -6.417 1.00 1.00 C ATOM 1199 CE LYS B 716 72.255 17.030 -7.260 1.00 1.00 C ATOM 1200 NZ LYS B 716 71.404 17.850 -6.354 1.00 1.00 N ATOM 0 H LYS B 716 72.825 13.193 -9.777 1.00 1.00 H new ATOM 0 HA LYS B 716 73.104 15.972 -9.489 1.00 1.00 H new ATOM 0 HB2 LYS B 716 73.256 13.997 -7.760 1.00 1.00 H new ATOM 0 HB3 LYS B 716 74.935 13.873 -8.246 1.00 1.00 H new ATOM 0 HG2 LYS B 716 75.250 15.431 -6.572 1.00 1.00 H new ATOM 0 HG3 LYS B 716 74.824 16.566 -7.838 1.00 1.00 H new ATOM 0 HD2 LYS B 716 72.707 15.329 -6.014 1.00 1.00 H new ATOM 0 HD3 LYS B 716 73.568 16.788 -5.566 1.00 1.00 H new ATOM 0 HE2 LYS B 716 72.807 17.675 -7.944 1.00 1.00 H new ATOM 0 HE3 LYS B 716 71.633 16.376 -7.871 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 71.160 18.746 -6.823 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 70.533 17.328 -6.129 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 71.924 18.050 -5.476 1.00 1.00 H new ATOM 1214 N LEU B 717 75.710 14.437 -10.838 1.00 1.00 N ATOM 1215 CA LEU B 717 76.953 14.691 -11.558 1.00 1.00 C ATOM 1216 C LEU B 717 76.679 15.537 -12.795 1.00 1.00 C ATOM 1217 O LEU B 717 77.409 16.479 -13.086 1.00 1.00 O ATOM 1218 CB LEU B 717 77.601 13.358 -11.962 1.00 1.00 C ATOM 1219 CG LEU B 717 78.902 13.613 -12.736 1.00 1.00 C ATOM 1220 CD1 LEU B 717 79.867 14.447 -11.892 1.00 1.00 C ATOM 1221 CD2 LEU B 717 79.559 12.272 -13.068 1.00 1.00 C ATOM 0 H LEU B 717 75.444 13.454 -10.772 1.00 1.00 H new ATOM 0 HA LEU B 717 77.636 15.236 -10.907 1.00 1.00 H new ATOM 0 HB2 LEU B 717 77.809 12.762 -11.073 1.00 1.00 H new ATOM 0 HB3 LEU B 717 76.910 12.781 -12.577 1.00 1.00 H new ATOM 0 HG LEU B 717 78.669 14.156 -13.652 1.00 1.00 H new ATOM 0 HD11 LEU B 717 80.785 14.620 -12.453 1.00 1.00 H new ATOM 0 HD12 LEU B 717 79.404 15.404 -11.649 1.00 1.00 H new ATOM 0 HD13 LEU B 717 80.100 13.913 -10.971 1.00 1.00 H new ATOM 0 HD21 LEU B 717 80.484 12.446 -13.618 1.00 1.00 H new ATOM 0 HD22 LEU B 717 79.781 11.737 -12.145 1.00 1.00 H new ATOM 0 HD23 LEU B 717 78.881 11.676 -13.678 1.00 1.00 H new ATOM 1233 N LEU B 718 75.630 15.186 -13.529 1.00 1.00 N ATOM 1234 CA LEU B 718 75.298 15.919 -14.745 1.00 1.00 C ATOM 1235 C LEU B 718 74.991 17.378 -14.433 1.00 1.00 C ATOM 1236 O LEU B 718 75.429 18.271 -15.155 1.00 1.00 O ATOM 1237 CB LEU B 718 74.102 15.269 -15.446 1.00 1.00 C ATOM 1238 CG LEU B 718 74.524 13.919 -16.039 1.00 1.00 C ATOM 1239 CD1 LEU B 718 73.281 13.173 -16.529 1.00 1.00 C ATOM 1240 CD2 LEU B 718 75.492 14.126 -17.210 1.00 1.00 C ATOM 0 H LEU B 718 75.004 14.412 -13.309 1.00 1.00 H new ATOM 0 HA LEU B 718 76.161 15.884 -15.409 1.00 1.00 H new ATOM 0 HB2 LEU B 718 73.286 15.127 -14.738 1.00 1.00 H new ATOM 0 HB3 LEU B 718 73.730 15.923 -16.234 1.00 1.00 H new ATOM 0 HG LEU B 718 75.028 13.336 -15.268 1.00 1.00 H new ATOM 0 HD11 LEU B 718 73.576 12.213 -16.951 1.00 1.00 H new ATOM 0 HD12 LEU B 718 72.602 13.008 -15.692 1.00 1.00 H new ATOM 0 HD13 LEU B 718 72.778 13.766 -17.293 1.00 1.00 H new ATOM 0 HD21 LEU B 718 75.781 13.158 -17.619 1.00 1.00 H new ATOM 0 HD22 LEU B 718 75.004 14.716 -17.986 1.00 1.00 H new ATOM 0 HD23 LEU B 718 76.380 14.652 -16.859 1.00 1.00 H new ATOM 1252 N ILE B 719 74.252 17.624 -13.361 1.00 1.00 N ATOM 1253 CA ILE B 719 73.928 18.995 -12.998 1.00 1.00 C ATOM 1254 C ILE B 719 75.197 19.763 -12.655 1.00 1.00 C ATOM 1255 O ILE B 719 75.358 20.925 -13.059 1.00 1.00 O ATOM 1256 CB ILE B 719 72.977 19.002 -11.798 1.00 1.00 C ATOM 1257 CG1 ILE B 719 71.602 18.432 -12.205 1.00 1.00 C ATOM 1258 CG2 ILE B 719 72.826 20.425 -11.252 1.00 1.00 C ATOM 1259 CD1 ILE B 719 70.940 19.278 -13.306 1.00 1.00 C ATOM 0 H ILE B 719 73.873 16.910 -12.740 1.00 1.00 H new ATOM 0 HA ILE B 719 73.442 19.479 -13.846 1.00 1.00 H new ATOM 0 HB ILE B 719 73.395 18.372 -11.013 1.00 1.00 H new ATOM 0 HG12 ILE B 719 71.722 17.407 -12.556 1.00 1.00 H new ATOM 0 HG13 ILE B 719 70.950 18.396 -11.332 1.00 1.00 H new ATOM 0 HG21 ILE B 719 72.147 20.417 -10.399 1.00 1.00 H new ATOM 0 HG22 ILE B 719 73.800 20.799 -10.937 1.00 1.00 H new ATOM 0 HG23 ILE B 719 72.423 21.073 -12.031 1.00 1.00 H new ATOM 0 HD11 ILE B 719 69.974 18.845 -13.566 1.00 1.00 H new ATOM 0 HD12 ILE B 719 70.796 20.296 -12.945 1.00 1.00 H new ATOM 0 HD13 ILE B 719 71.580 19.293 -14.188 1.00 1.00 H new ATOM 1271 N THR B 720 76.087 19.134 -11.881 1.00 1.00 N ATOM 1272 CA THR B 720 77.311 19.787 -11.468 1.00 1.00 C ATOM 1273 C THR B 720 78.136 20.184 -12.689 1.00 1.00 C ATOM 1274 O THR B 720 78.630 21.301 -12.763 1.00 1.00 O ATOM 1275 CB THR B 720 78.129 18.841 -10.583 1.00 1.00 C ATOM 1276 OG1 THR B 720 77.382 18.536 -9.418 1.00 1.00 O ATOM 1277 CG2 THR B 720 79.453 19.504 -10.188 1.00 1.00 C ATOM 0 H THR B 720 75.975 18.181 -11.535 1.00 1.00 H new ATOM 0 HA THR B 720 77.057 20.685 -10.904 1.00 1.00 H new ATOM 0 HB THR B 720 78.345 17.926 -11.134 1.00 1.00 H new ATOM 0 HG1 THR B 720 76.672 17.899 -9.642 1.00 1.00 H new ATOM 0 HG21 THR B 720 80.027 18.824 -9.559 1.00 1.00 H new ATOM 0 HG22 THR B 720 80.025 19.738 -11.086 1.00 1.00 H new ATOM 0 HG23 THR B 720 79.250 20.423 -9.638 1.00 1.00 H new ATOM 1285 N ILE B 721 78.305 19.268 -13.647 1.00 1.00 N ATOM 1286 CA ILE B 721 79.105 19.573 -14.810 1.00 1.00 C ATOM 1287 C ILE B 721 78.507 20.745 -15.604 1.00 1.00 C ATOM 1288 O ILE B 721 79.207 21.684 -15.993 1.00 1.00 O ATOM 1289 CB ILE B 721 79.169 18.335 -15.721 1.00 1.00 C ATOM 1290 CG1 ILE B 721 79.947 17.207 -15.037 1.00 1.00 C ATOM 1291 CG2 ILE B 721 79.837 18.695 -17.052 1.00 1.00 C ATOM 1292 CD1 ILE B 721 81.392 17.631 -14.735 1.00 1.00 C ATOM 0 H ILE B 721 77.903 18.331 -13.632 1.00 1.00 H new ATOM 0 HA ILE B 721 80.103 19.853 -14.474 1.00 1.00 H new ATOM 0 HB ILE B 721 78.152 17.993 -15.913 1.00 1.00 H new ATOM 0 HG12 ILE B 721 79.446 16.927 -14.110 1.00 1.00 H new ATOM 0 HG13 ILE B 721 79.951 16.325 -15.677 1.00 1.00 H new ATOM 0 HG21 ILE B 721 79.877 17.812 -17.689 1.00 1.00 H new ATOM 0 HG22 ILE B 721 79.261 19.475 -17.549 1.00 1.00 H new ATOM 0 HG23 ILE B 721 80.849 19.054 -16.866 1.00 1.00 H new ATOM 0 HD11 ILE B 721 81.918 16.809 -14.250 1.00 1.00 H new ATOM 0 HD12 ILE B 721 81.898 17.887 -15.666 1.00 1.00 H new ATOM 0 HD13 ILE B 721 81.386 18.498 -14.075 1.00 1.00 H new ATOM 1304 N HIS B 722 77.202 20.708 -15.805 1.00 1.00 N ATOM 1305 CA HIS B 722 76.545 21.797 -16.529 1.00 1.00 C ATOM 1306 C HIS B 722 76.773 23.110 -15.787 1.00 1.00 C ATOM 1307 O HIS B 722 76.965 24.157 -16.405 1.00 1.00 O ATOM 1308 CB HIS B 722 75.039 21.515 -16.654 1.00 1.00 C ATOM 1309 CG HIS B 722 74.810 20.438 -17.684 1.00 1.00 C ATOM 1310 ND1 HIS B 722 74.574 19.114 -17.337 1.00 1.00 N ATOM 1311 CD2 HIS B 722 74.805 20.478 -19.051 1.00 1.00 C ATOM 1312 CE1 HIS B 722 74.444 18.415 -18.483 1.00 1.00 C ATOM 1313 NE2 HIS B 722 74.574 19.201 -19.556 1.00 1.00 N ATOM 0 H HIS B 722 76.584 19.960 -15.489 1.00 1.00 H new ATOM 0 HA HIS B 722 76.969 21.871 -17.530 1.00 1.00 H new ATOM 0 HB2 HIS B 722 74.636 21.203 -15.691 1.00 1.00 H new ATOM 0 HB3 HIS B 722 74.511 22.425 -16.941 1.00 1.00 H new ATOM 0 HD1 HIS B 722 74.511 18.740 -16.390 1.00 1.00 H new ATOM 0 HD2 HIS B 722 74.957 21.365 -19.648 1.00 1.00 H new ATOM 0 HE1 HIS B 722 74.258 17.352 -18.528 1.00 1.00 H new