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 72:sc= 0.23 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 -4:sc= -0.0409 USER MOD Single : B 701 MET CE :methyl 149:sc= -0.114 (180deg=-0.996) USER MOD Single : B 716 LYS NZ :NH3+ -121:sc= 1.3 (180deg=-1.31) USER MOD Single : B 720 THR OG1 : rot -13:sc= 0.309 USER MOD Single : B 722 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 64.456 -16.412 3.638 1.00 1.00 N ATOM 137 CA ILE A 966 63.765 -15.379 2.865 1.00 1.00 C ATOM 138 C ILE A 966 63.478 -14.097 3.659 1.00 1.00 C ATOM 139 O ILE A 966 63.598 -12.997 3.120 1.00 1.00 O ATOM 140 CB ILE A 966 62.448 -15.942 2.333 1.00 1.00 C ATOM 141 CG1 ILE A 966 62.743 -17.019 1.286 1.00 1.00 C ATOM 142 CG2 ILE A 966 61.634 -14.816 1.690 1.00 1.00 C ATOM 143 CD1 ILE A 966 61.459 -17.778 0.952 1.00 1.00 C ATOM 0 HA ILE A 966 64.437 -15.101 2.053 1.00 1.00 H new ATOM 0 HB ILE A 966 61.879 -16.377 3.155 1.00 1.00 H new ATOM 0 HG12 ILE A 966 63.151 -16.562 0.385 1.00 1.00 H new ATOM 0 HG13 ILE A 966 63.497 -17.709 1.663 1.00 1.00 H new ATOM 0 HG21 ILE A 966 60.694 -15.217 1.310 1.00 1.00 H new ATOM 0 HG22 ILE A 966 61.426 -14.047 2.434 1.00 1.00 H new ATOM 0 HG23 ILE A 966 62.201 -14.381 0.867 1.00 1.00 H new ATOM 0 HD11 ILE A 966 61.673 -18.544 0.206 1.00 1.00 H new ATOM 0 HD12 ILE A 966 61.069 -18.249 1.855 1.00 1.00 H new ATOM 0 HD13 ILE A 966 60.718 -17.083 0.556 1.00 1.00 H new ATOM 155 N TRP A 967 63.033 -14.235 4.906 1.00 1.00 N ATOM 156 CA TRP A 967 62.666 -13.056 5.698 1.00 1.00 C ATOM 157 C TRP A 967 63.787 -12.017 5.703 1.00 1.00 C ATOM 158 O TRP A 967 63.542 -10.836 5.459 1.00 1.00 O ATOM 159 CB TRP A 967 62.392 -13.450 7.152 1.00 1.00 C ATOM 160 CG TRP A 967 62.637 -14.910 7.338 1.00 1.00 C ATOM 161 CD1 TRP A 967 63.681 -15.425 8.024 1.00 1.00 C ATOM 162 CD2 TRP A 967 61.863 -16.043 6.855 1.00 1.00 C ATOM 163 NE1 TRP A 967 63.603 -16.802 7.992 1.00 1.00 N ATOM 164 CE2 TRP A 967 62.497 -17.234 7.286 1.00 1.00 C ATOM 165 CE3 TRP A 967 60.684 -16.155 6.097 1.00 1.00 C ATOM 166 CZ2 TRP A 967 61.982 -18.491 6.969 1.00 1.00 C ATOM 167 CZ3 TRP A 967 60.163 -17.419 5.778 1.00 1.00 C ATOM 168 CH2 TRP A 967 60.809 -18.584 6.215 1.00 1.00 C ATOM 0 H TRP A 967 62.918 -15.129 5.384 1.00 1.00 H new ATOM 0 HA TRP A 967 61.772 -12.633 5.239 1.00 1.00 H new ATOM 0 HB2 TRP A 967 63.034 -12.877 7.820 1.00 1.00 H new ATOM 0 HB3 TRP A 967 61.362 -13.209 7.415 1.00 1.00 H new ATOM 0 HD1 TRP A 967 64.452 -14.852 8.517 1.00 1.00 H new ATOM 0 HE1 TRP A 967 64.279 -17.424 8.435 1.00 1.00 H new ATOM 0 HE3 TRP A 967 60.177 -15.264 5.758 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 62.486 -19.386 7.304 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 59.259 -17.494 5.192 1.00 1.00 H new ATOM 0 HH2 TRP A 967 60.400 -19.553 5.969 1.00 1.00 H new ATOM 179 N TRP A 968 64.995 -12.437 6.047 1.00 1.00 N ATOM 180 CA TRP A 968 66.110 -11.496 6.148 1.00 1.00 C ATOM 181 C TRP A 968 66.339 -10.755 4.835 1.00 1.00 C ATOM 182 O TRP A 968 66.624 -9.559 4.852 1.00 1.00 O ATOM 183 CB TRP A 968 67.396 -12.219 6.533 1.00 1.00 C ATOM 184 CG TRP A 968 67.220 -12.887 7.854 1.00 1.00 C ATOM 185 CD1 TRP A 968 67.200 -14.218 8.027 1.00 1.00 C ATOM 186 CD2 TRP A 968 67.017 -12.298 9.171 1.00 1.00 C ATOM 187 NE1 TRP A 968 67.010 -14.501 9.364 1.00 1.00 N ATOM 188 CE2 TRP A 968 66.887 -13.347 10.114 1.00 1.00 C ATOM 189 CE3 TRP A 968 66.934 -10.975 9.634 1.00 1.00 C ATOM 190 CZ2 TRP A 968 66.686 -13.089 11.470 1.00 1.00 C ATOM 191 CZ3 TRP A 968 66.730 -10.712 10.999 1.00 1.00 C ATOM 192 CH2 TRP A 968 66.606 -11.767 11.915 1.00 1.00 C ATOM 0 H TRP A 968 65.231 -13.407 6.259 1.00 1.00 H new ATOM 0 HA TRP A 968 65.846 -10.775 6.922 1.00 1.00 H new ATOM 0 HB2 TRP A 968 67.651 -12.957 5.773 1.00 1.00 H new ATOM 0 HB3 TRP A 968 68.223 -11.510 6.580 1.00 1.00 H new ATOM 0 HD1 TRP A 968 67.315 -14.952 7.243 1.00 1.00 H new ATOM 0 HE1 TRP A 968 66.966 -15.444 9.750 1.00 1.00 H new ATOM 0 HE3 TRP A 968 67.027 -10.155 8.937 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 66.593 -13.905 12.171 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 66.668 -9.691 11.345 1.00 1.00 H new ATOM 0 HH2 TRP A 968 66.449 -11.558 12.963 1.00 1.00 H new ATOM 203 N VAL A 969 66.199 -11.430 3.699 1.00 1.00 N ATOM 204 CA VAL A 969 66.386 -10.749 2.423 1.00 1.00 C ATOM 205 C VAL A 969 65.312 -9.678 2.267 1.00 1.00 C ATOM 206 O VAL A 969 65.588 -8.543 1.878 1.00 1.00 O ATOM 207 CB VAL A 969 66.294 -11.752 1.270 1.00 1.00 C ATOM 208 CG1 VAL A 969 66.292 -11.000 -0.062 1.00 1.00 C ATOM 209 CG2 VAL A 969 67.496 -12.698 1.318 1.00 1.00 C ATOM 0 H VAL A 969 65.963 -12.420 3.634 1.00 1.00 H new ATOM 0 HA VAL A 969 67.372 -10.285 2.401 1.00 1.00 H new ATOM 0 HB VAL A 969 65.374 -12.328 1.364 1.00 1.00 H new ATOM 0 HG11 VAL A 969 66.227 -11.714 -0.883 1.00 1.00 H new ATOM 0 HG12 VAL A 969 65.436 -10.326 -0.098 1.00 1.00 H new ATOM 0 HG13 VAL A 969 67.212 -10.423 -0.156 1.00 1.00 H new ATOM 0 HG21 VAL A 969 67.430 -13.412 0.497 1.00 1.00 H new ATOM 0 HG22 VAL A 969 68.417 -12.122 1.225 1.00 1.00 H new ATOM 0 HG23 VAL A 969 67.499 -13.235 2.266 1.00 1.00 H new ATOM 219 N LEU A 970 64.085 -10.071 2.584 1.00 1.00 N ATOM 220 CA LEU A 970 62.942 -9.167 2.494 1.00 1.00 C ATOM 221 C LEU A 970 63.119 -7.992 3.453 1.00 1.00 C ATOM 222 O LEU A 970 62.831 -6.848 3.105 1.00 1.00 O ATOM 223 CB LEU A 970 61.647 -9.923 2.819 1.00 1.00 C ATOM 224 CG LEU A 970 60.436 -8.981 2.739 1.00 1.00 C ATOM 225 CD1 LEU A 970 60.344 -8.364 1.341 1.00 1.00 C ATOM 226 CD2 LEU A 970 59.159 -9.774 3.023 1.00 1.00 C ATOM 0 H LEU A 970 63.854 -11.011 2.906 1.00 1.00 H new ATOM 0 HA LEU A 970 62.880 -8.781 1.477 1.00 1.00 H new ATOM 0 HB2 LEU A 970 61.518 -10.750 2.121 1.00 1.00 H new ATOM 0 HB3 LEU A 970 61.713 -10.355 3.817 1.00 1.00 H new ATOM 0 HG LEU A 970 60.552 -8.186 3.476 1.00 1.00 H new ATOM 0 HD11 LEU A 970 59.483 -7.698 1.293 1.00 1.00 H new ATOM 0 HD12 LEU A 970 61.252 -7.799 1.132 1.00 1.00 H new ATOM 0 HD13 LEU A 970 60.231 -9.156 0.600 1.00 1.00 H new ATOM 0 HD21 LEU A 970 58.297 -9.109 2.967 1.00 1.00 H new ATOM 0 HD22 LEU A 970 59.052 -10.569 2.285 1.00 1.00 H new ATOM 0 HD23 LEU A 970 59.216 -10.211 4.020 1.00 1.00 H new ATOM 238 N VAL A 971 63.580 -8.282 4.666 1.00 1.00 N ATOM 239 CA VAL A 971 63.779 -7.244 5.672 1.00 1.00 C ATOM 240 C VAL A 971 64.838 -6.242 5.223 1.00 1.00 C ATOM 241 O VAL A 971 64.660 -5.033 5.377 1.00 1.00 O ATOM 242 CB VAL A 971 64.194 -7.876 7.002 1.00 1.00 C ATOM 243 CG1 VAL A 971 64.587 -6.778 7.991 1.00 1.00 C ATOM 244 CG2 VAL A 971 63.019 -8.677 7.571 1.00 1.00 C ATOM 0 H VAL A 971 63.822 -9.223 4.975 1.00 1.00 H new ATOM 0 HA VAL A 971 62.836 -6.712 5.802 1.00 1.00 H new ATOM 0 HB VAL A 971 65.045 -8.538 6.840 1.00 1.00 H new ATOM 0 HG11 VAL A 971 64.882 -7.230 8.938 1.00 1.00 H new ATOM 0 HG12 VAL A 971 65.422 -6.205 7.586 1.00 1.00 H new ATOM 0 HG13 VAL A 971 63.738 -6.115 8.155 1.00 1.00 H new ATOM 0 HG21 VAL A 971 63.312 -9.129 8.519 1.00 1.00 H new ATOM 0 HG22 VAL A 971 62.170 -8.013 7.732 1.00 1.00 H new ATOM 0 HG23 VAL A 971 62.738 -9.460 6.867 1.00 1.00 H new ATOM 254 N GLY A 972 65.948 -6.745 4.690 1.00 1.00 N ATOM 255 CA GLY A 972 67.023 -5.865 4.248 1.00 1.00 C ATOM 256 C GLY A 972 66.550 -4.922 3.150 1.00 1.00 C ATOM 257 O GLY A 972 66.944 -3.756 3.107 1.00 1.00 O ATOM 0 H GLY A 972 66.125 -7.741 4.555 1.00 1.00 H new ATOM 0 HA2 GLY A 972 67.392 -5.285 5.094 1.00 1.00 H new ATOM 0 HA3 GLY A 972 67.858 -6.463 3.882 1.00 1.00 H new ATOM 261 N VAL A 973 65.716 -5.439 2.259 1.00 1.00 N ATOM 262 CA VAL A 973 65.203 -4.638 1.160 1.00 1.00 C ATOM 263 C VAL A 973 64.398 -3.464 1.696 1.00 1.00 C ATOM 264 O VAL A 973 64.559 -2.336 1.233 1.00 1.00 O ATOM 265 CB VAL A 973 64.317 -5.496 0.257 1.00 1.00 C ATOM 266 CG1 VAL A 973 63.611 -4.604 -0.767 1.00 1.00 C ATOM 267 CG2 VAL A 973 65.184 -6.520 -0.476 1.00 1.00 C ATOM 0 H VAL A 973 65.383 -6.403 2.276 1.00 1.00 H new ATOM 0 HA VAL A 973 66.046 -4.258 0.583 1.00 1.00 H new ATOM 0 HB VAL A 973 63.572 -6.012 0.863 1.00 1.00 H new ATOM 0 HG11 VAL A 973 62.980 -5.217 -1.410 1.00 1.00 H new ATOM 0 HG12 VAL A 973 62.995 -3.870 -0.247 1.00 1.00 H new ATOM 0 HG13 VAL A 973 64.355 -4.088 -1.374 1.00 1.00 H new ATOM 0 HG21 VAL A 973 64.555 -7.134 -1.121 1.00 1.00 H new ATOM 0 HG22 VAL A 973 65.927 -6.001 -1.081 1.00 1.00 H new ATOM 0 HG23 VAL A 973 65.689 -7.156 0.251 1.00 1.00 H new ATOM 277 N LEU A 974 63.534 -3.728 2.667 1.00 1.00 N ATOM 278 CA LEU A 974 62.711 -2.673 3.244 1.00 1.00 C ATOM 279 C LEU A 974 63.563 -1.609 3.939 1.00 1.00 C ATOM 280 O LEU A 974 63.308 -0.413 3.806 1.00 1.00 O ATOM 281 CB LEU A 974 61.730 -3.275 4.252 1.00 1.00 C ATOM 282 CG LEU A 974 60.677 -4.113 3.519 1.00 1.00 C ATOM 283 CD1 LEU A 974 59.850 -4.887 4.545 1.00 1.00 C ATOM 284 CD2 LEU A 974 59.750 -3.209 2.690 1.00 1.00 C ATOM 0 H LEU A 974 63.385 -4.654 3.069 1.00 1.00 H new ATOM 0 HA LEU A 974 62.166 -2.194 2.431 1.00 1.00 H new ATOM 0 HB2 LEU A 974 62.267 -3.896 4.969 1.00 1.00 H new ATOM 0 HB3 LEU A 974 61.245 -2.481 4.819 1.00 1.00 H new ATOM 0 HG LEU A 974 61.181 -4.806 2.846 1.00 1.00 H new ATOM 0 HD11 LEU A 974 59.099 -5.485 4.030 1.00 1.00 H new ATOM 0 HD12 LEU A 974 60.504 -5.542 5.120 1.00 1.00 H new ATOM 0 HD13 LEU A 974 59.356 -4.186 5.218 1.00 1.00 H new ATOM 0 HD21 LEU A 974 59.009 -3.821 2.176 1.00 1.00 H new ATOM 0 HD22 LEU A 974 59.244 -2.504 3.350 1.00 1.00 H new ATOM 0 HD23 LEU A 974 60.339 -2.660 1.955 1.00 1.00 H new ATOM 296 N GLY A 975 64.575 -2.058 4.685 1.00 1.00 N ATOM 297 CA GLY A 975 65.455 -1.135 5.402 1.00 1.00 C ATOM 298 C GLY A 975 66.260 -0.274 4.436 1.00 1.00 C ATOM 299 O GLY A 975 66.363 0.940 4.613 1.00 1.00 O ATOM 0 H GLY A 975 64.803 -3.045 4.807 1.00 1.00 H new ATOM 0 HA2 GLY A 975 64.861 -0.495 6.054 1.00 1.00 H new ATOM 0 HA3 GLY A 975 66.134 -1.699 6.042 1.00 1.00 H new ATOM 303 N GLY A 976 66.820 -0.905 3.410 1.00 1.00 N ATOM 304 CA GLY A 976 67.600 -0.176 2.417 1.00 1.00 C ATOM 305 C GLY A 976 66.727 0.856 1.694 1.00 1.00 C ATOM 306 O GLY A 976 67.145 1.996 1.481 1.00 1.00 O ATOM 0 H GLY A 976 66.750 -1.909 3.245 1.00 1.00 H new ATOM 0 HA2 GLY A 976 68.438 0.325 2.902 1.00 1.00 H new ATOM 0 HA3 GLY A 976 68.021 -0.874 1.694 1.00 1.00 H new ATOM 310 N LEU A 977 65.511 0.455 1.333 1.00 1.00 N ATOM 311 CA LEU A 977 64.578 1.363 0.653 1.00 1.00 C ATOM 312 C LEU A 977 64.219 2.544 1.562 1.00 1.00 C ATOM 313 O LEU A 977 64.147 3.688 1.105 1.00 1.00 O ATOM 314 CB LEU A 977 63.304 0.597 0.266 1.00 1.00 C ATOM 315 CG LEU A 977 62.299 1.533 -0.423 1.00 1.00 C ATOM 316 CD1 LEU A 977 62.932 2.165 -1.664 1.00 1.00 C ATOM 317 CD2 LEU A 977 61.062 0.731 -0.837 1.00 1.00 C ATOM 0 H LEU A 977 65.146 -0.484 1.496 1.00 1.00 H new ATOM 0 HA LEU A 977 65.057 1.750 -0.246 1.00 1.00 H new ATOM 0 HB2 LEU A 977 63.557 -0.228 -0.400 1.00 1.00 H new ATOM 0 HB3 LEU A 977 62.851 0.160 1.156 1.00 1.00 H new ATOM 0 HG LEU A 977 62.014 2.323 0.272 1.00 1.00 H new ATOM 0 HD11 LEU A 977 62.210 2.826 -2.144 1.00 1.00 H new ATOM 0 HD12 LEU A 977 63.811 2.739 -1.372 1.00 1.00 H new ATOM 0 HD13 LEU A 977 63.226 1.381 -2.362 1.00 1.00 H new ATOM 0 HD21 LEU A 977 60.347 1.392 -1.326 1.00 1.00 H new ATOM 0 HD22 LEU A 977 61.355 -0.060 -1.527 1.00 1.00 H new ATOM 0 HD23 LEU A 977 60.602 0.289 0.047 1.00 1.00 H new ATOM 329 N LEU A 978 63.989 2.269 2.838 1.00 1.00 N ATOM 330 CA LEU A 978 63.631 3.335 3.776 1.00 1.00 C ATOM 331 C LEU A 978 64.775 4.347 3.871 1.00 1.00 C ATOM 332 O LEU A 978 64.541 5.556 3.898 1.00 1.00 O ATOM 333 CB LEU A 978 63.349 2.739 5.160 1.00 1.00 C ATOM 334 CG LEU A 978 62.982 3.846 6.157 1.00 1.00 C ATOM 335 CD1 LEU A 978 61.753 4.618 5.663 1.00 1.00 C ATOM 336 CD2 LEU A 978 62.675 3.215 7.516 1.00 1.00 C ATOM 0 H LEU A 978 64.041 1.336 3.247 1.00 1.00 H new ATOM 0 HA LEU A 978 62.735 3.840 3.416 1.00 1.00 H new ATOM 0 HB2 LEU A 978 62.535 2.017 5.093 1.00 1.00 H new ATOM 0 HB3 LEU A 978 64.226 2.198 5.515 1.00 1.00 H new ATOM 0 HG LEU A 978 63.819 4.538 6.249 1.00 1.00 H new ATOM 0 HD11 LEU A 978 61.503 5.401 6.379 1.00 1.00 H new ATOM 0 HD12 LEU A 978 61.971 5.069 4.695 1.00 1.00 H new ATOM 0 HD13 LEU A 978 60.910 3.934 5.563 1.00 1.00 H new ATOM 0 HD21 LEU A 978 62.413 3.997 8.229 1.00 1.00 H new ATOM 0 HD22 LEU A 978 61.840 2.522 7.415 1.00 1.00 H new ATOM 0 HD23 LEU A 978 63.553 2.676 7.874 1.00 1.00 H new ATOM 348 N LEU A 979 66.001 3.851 3.922 1.00 1.00 N ATOM 349 CA LEU A 979 67.147 4.755 4.011 1.00 1.00 C ATOM 350 C LEU A 979 67.198 5.651 2.768 1.00 1.00 C ATOM 351 O LEU A 979 67.460 6.848 2.877 1.00 1.00 O ATOM 352 CB LEU A 979 68.444 3.948 4.121 1.00 1.00 C ATOM 353 CG LEU A 979 68.500 3.245 5.483 1.00 1.00 C ATOM 354 CD1 LEU A 979 69.681 2.271 5.509 1.00 1.00 C ATOM 355 CD2 LEU A 979 68.665 4.275 6.608 1.00 1.00 C ATOM 0 H LEU A 979 66.230 2.857 3.904 1.00 1.00 H new ATOM 0 HA LEU A 979 67.040 5.378 4.899 1.00 1.00 H new ATOM 0 HB2 LEU A 979 68.495 3.212 3.319 1.00 1.00 H new ATOM 0 HB3 LEU A 979 69.305 4.607 4.005 1.00 1.00 H new ATOM 0 HG LEU A 979 67.569 2.699 5.635 1.00 1.00 H new ATOM 0 HD11 LEU A 979 69.720 1.772 6.477 1.00 1.00 H new ATOM 0 HD12 LEU A 979 69.556 1.527 4.722 1.00 1.00 H new ATOM 0 HD13 LEU A 979 70.609 2.820 5.346 1.00 1.00 H new ATOM 0 HD21 LEU A 979 68.703 3.762 7.569 1.00 1.00 H new ATOM 0 HD22 LEU A 979 69.589 4.833 6.458 1.00 1.00 H new ATOM 0 HD23 LEU A 979 67.820 4.963 6.598 1.00 1.00 H new ATOM 367 N LEU A 980 66.939 5.077 1.598 1.00 1.00 N ATOM 368 CA LEU A 980 66.957 5.862 0.359 1.00 1.00 C ATOM 369 C LEU A 980 65.900 6.962 0.391 1.00 1.00 C ATOM 370 O LEU A 980 66.148 8.083 -0.058 1.00 1.00 O ATOM 371 CB LEU A 980 66.664 4.973 -0.852 1.00 1.00 C ATOM 372 CG LEU A 980 67.836 4.029 -1.119 1.00 1.00 C ATOM 373 CD1 LEU A 980 67.445 3.036 -2.216 1.00 1.00 C ATOM 374 CD2 LEU A 980 69.058 4.835 -1.570 1.00 1.00 C ATOM 0 H LEU A 980 66.717 4.089 1.477 1.00 1.00 H new ATOM 0 HA LEU A 980 67.952 6.300 0.276 1.00 1.00 H new ATOM 0 HB2 LEU A 980 65.757 4.395 -0.675 1.00 1.00 H new ATOM 0 HB3 LEU A 980 66.481 5.593 -1.730 1.00 1.00 H new ATOM 0 HG LEU A 980 68.081 3.488 -0.205 1.00 1.00 H new ATOM 0 HD11 LEU A 980 68.278 2.361 -2.409 1.00 1.00 H new ATOM 0 HD12 LEU A 980 66.578 2.459 -1.893 1.00 1.00 H new ATOM 0 HD13 LEU A 980 67.199 3.580 -3.128 1.00 1.00 H new ATOM 0 HD21 LEU A 980 69.891 4.158 -1.759 1.00 1.00 H new ATOM 0 HD22 LEU A 980 68.818 5.379 -2.484 1.00 1.00 H new ATOM 0 HD23 LEU A 980 69.336 5.542 -0.789 1.00 1.00 H new ATOM 386 N THR A 981 64.717 6.634 0.892 1.00 1.00 N ATOM 387 CA THR A 981 63.630 7.607 0.934 1.00 1.00 C ATOM 388 C THR A 981 64.006 8.808 1.796 1.00 1.00 C ATOM 389 O THR A 981 63.794 9.952 1.401 1.00 1.00 O ATOM 390 CB THR A 981 62.372 6.942 1.499 1.00 1.00 C ATOM 391 OG1 THR A 981 61.980 5.874 0.645 1.00 1.00 O ATOM 392 CG2 THR A 981 61.242 7.967 1.584 1.00 1.00 C ATOM 0 H THR A 981 64.485 5.716 1.271 1.00 1.00 H new ATOM 0 HA THR A 981 63.440 7.958 -0.080 1.00 1.00 H new ATOM 0 HB THR A 981 62.583 6.555 2.496 1.00 1.00 H new ATOM 0 HG1 THR A 981 62.610 5.130 0.741 1.00 1.00 H new ATOM 0 HG21 THR A 981 60.348 7.491 1.986 1.00 1.00 H new ATOM 0 HG22 THR A 981 61.542 8.786 2.238 1.00 1.00 H new ATOM 0 HG23 THR A 981 61.029 8.357 0.589 1.00 1.00 H new ATOM 400 N ILE A 982 64.544 8.544 2.976 1.00 1.00 N ATOM 401 CA ILE A 982 64.919 9.623 3.878 1.00 1.00 C ATOM 402 C ILE A 982 66.013 10.496 3.268 1.00 1.00 C ATOM 403 O ILE A 982 65.943 11.723 3.340 1.00 1.00 O ATOM 404 CB ILE A 982 65.408 9.038 5.201 1.00 1.00 C ATOM 405 CG1 ILE A 982 64.237 8.375 5.933 1.00 1.00 C ATOM 406 CG2 ILE A 982 65.982 10.156 6.073 1.00 1.00 C ATOM 407 CD1 ILE A 982 64.767 7.558 7.114 1.00 1.00 C ATOM 0 H ILE A 982 64.729 7.605 3.329 1.00 1.00 H new ATOM 0 HA ILE A 982 64.041 10.246 4.050 1.00 1.00 H new ATOM 0 HB ILE A 982 66.181 8.296 5.003 1.00 1.00 H new ATOM 0 HG12 ILE A 982 63.539 9.134 6.287 1.00 1.00 H new ATOM 0 HG13 ILE A 982 63.686 7.729 5.249 1.00 1.00 H new ATOM 0 HG21 ILE A 982 66.331 9.738 7.017 1.00 1.00 H new ATOM 0 HG22 ILE A 982 66.816 10.629 5.555 1.00 1.00 H new ATOM 0 HG23 ILE A 982 65.208 10.898 6.269 1.00 1.00 H new ATOM 0 HD11 ILE A 982 63.933 7.087 7.634 1.00 1.00 H new ATOM 0 HD12 ILE A 982 65.448 6.789 6.748 1.00 1.00 H new ATOM 0 HD13 ILE A 982 65.299 8.216 7.802 1.00 1.00 H new ATOM 419 N LEU A 983 67.018 9.869 2.665 1.00 1.00 N ATOM 420 CA LEU A 983 68.103 10.626 2.047 1.00 1.00 C ATOM 421 C LEU A 983 67.575 11.485 0.900 1.00 1.00 C ATOM 422 O LEU A 983 67.969 12.642 0.752 1.00 1.00 O ATOM 423 CB LEU A 983 69.173 9.663 1.521 1.00 1.00 C ATOM 424 CG LEU A 983 69.900 8.998 2.698 1.00 1.00 C ATOM 425 CD1 LEU A 983 70.824 7.900 2.172 1.00 1.00 C ATOM 426 CD2 LEU A 983 70.732 10.036 3.464 1.00 1.00 C ATOM 0 H LEU A 983 67.105 8.855 2.591 1.00 1.00 H new ATOM 0 HA LEU A 983 68.541 11.281 2.800 1.00 1.00 H new ATOM 0 HB2 LEU A 983 68.712 8.903 0.890 1.00 1.00 H new ATOM 0 HB3 LEU A 983 69.887 10.203 0.899 1.00 1.00 H new ATOM 0 HG LEU A 983 69.159 8.567 3.372 1.00 1.00 H new ATOM 0 HD11 LEU A 983 71.340 7.428 3.008 1.00 1.00 H new ATOM 0 HD12 LEU A 983 70.235 7.153 1.640 1.00 1.00 H new ATOM 0 HD13 LEU A 983 71.556 8.336 1.492 1.00 1.00 H new ATOM 0 HD21 LEU A 983 71.242 9.551 4.296 1.00 1.00 H new ATOM 0 HD22 LEU A 983 71.469 10.478 2.794 1.00 1.00 H new ATOM 0 HD23 LEU A 983 70.076 10.818 3.847 1.00 1.00 H new ATOM 438 N VAL A 984 66.697 10.914 0.080 1.00 1.00 N ATOM 439 CA VAL A 984 66.143 11.644 -1.059 1.00 1.00 C ATOM 440 C VAL A 984 65.360 12.868 -0.596 1.00 1.00 C ATOM 441 O VAL A 984 65.515 13.957 -1.145 1.00 1.00 O ATOM 442 CB VAL A 984 65.217 10.732 -1.867 1.00 1.00 C ATOM 443 CG1 VAL A 984 64.489 11.561 -2.928 1.00 1.00 C ATOM 444 CG2 VAL A 984 66.039 9.634 -2.546 1.00 1.00 C ATOM 0 H VAL A 984 66.356 9.958 0.180 1.00 1.00 H new ATOM 0 HA VAL A 984 66.974 11.973 -1.683 1.00 1.00 H new ATOM 0 HB VAL A 984 64.487 10.272 -1.201 1.00 1.00 H new ATOM 0 HG11 VAL A 984 63.829 10.914 -3.505 1.00 1.00 H new ATOM 0 HG12 VAL A 984 63.901 12.339 -2.441 1.00 1.00 H new ATOM 0 HG13 VAL A 984 65.219 12.021 -3.594 1.00 1.00 H new ATOM 0 HG21 VAL A 984 65.377 8.986 -3.120 1.00 1.00 H new ATOM 0 HG22 VAL A 984 66.771 10.088 -3.214 1.00 1.00 H new ATOM 0 HG23 VAL A 984 66.555 9.045 -1.788 1.00 1.00 H new ATOM 454 N LEU A 985 64.521 12.682 0.417 1.00 1.00 N ATOM 455 CA LEU A 985 63.723 13.787 0.936 1.00 1.00 C ATOM 456 C LEU A 985 64.627 14.869 1.515 1.00 1.00 C ATOM 457 O LEU A 985 64.384 16.058 1.315 1.00 1.00 O ATOM 458 CB LEU A 985 62.773 13.282 2.025 1.00 1.00 C ATOM 459 CG LEU A 985 61.698 12.389 1.396 1.00 1.00 C ATOM 460 CD1 LEU A 985 60.890 11.707 2.502 1.00 1.00 C ATOM 461 CD2 LEU A 985 60.752 13.222 0.520 1.00 1.00 C ATOM 0 H LEU A 985 64.377 11.790 0.890 1.00 1.00 H new ATOM 0 HA LEU A 985 63.143 14.209 0.115 1.00 1.00 H new ATOM 0 HB2 LEU A 985 63.330 12.723 2.777 1.00 1.00 H new ATOM 0 HB3 LEU A 985 62.307 14.125 2.535 1.00 1.00 H new ATOM 0 HG LEU A 985 62.187 11.639 0.775 1.00 1.00 H new ATOM 0 HD11 LEU A 985 60.125 11.072 2.055 1.00 1.00 H new ATOM 0 HD12 LEU A 985 61.554 11.098 3.115 1.00 1.00 H new ATOM 0 HD13 LEU A 985 60.414 12.464 3.125 1.00 1.00 H new ATOM 0 HD21 LEU A 985 59.995 12.572 0.081 1.00 1.00 H new ATOM 0 HD22 LEU A 985 60.267 13.983 1.131 1.00 1.00 H new ATOM 0 HD23 LEU A 985 61.322 13.703 -0.275 1.00 1.00 H new ATOM 473 N ALA A 986 65.660 14.459 2.246 1.00 1.00 N ATOM 474 CA ALA A 986 66.564 15.428 2.855 1.00 1.00 C ATOM 475 C ALA A 986 67.278 16.263 1.792 1.00 1.00 C ATOM 476 O ALA A 986 67.413 17.476 1.939 1.00 1.00 O ATOM 477 CB ALA A 986 67.596 14.698 3.718 1.00 1.00 C ATOM 0 H ALA A 986 65.889 13.482 2.428 1.00 1.00 H new ATOM 0 HA ALA A 986 65.974 16.102 3.476 1.00 1.00 H new ATOM 0 HB1 ALA A 986 68.270 15.425 4.172 1.00 1.00 H new ATOM 0 HB2 ALA A 986 67.085 14.139 4.501 1.00 1.00 H new ATOM 0 HB3 ALA A 986 68.169 14.010 3.096 1.00 1.00 H new ATOM 483 N MET A 987 67.737 15.610 0.726 1.00 1.00 N ATOM 484 CA MET A 987 68.439 16.315 -0.349 1.00 1.00 C ATOM 485 C MET A 987 67.519 17.305 -1.063 1.00 1.00 C ATOM 486 O MET A 987 67.911 18.436 -1.353 1.00 1.00 O ATOM 487 CB MET A 987 68.982 15.303 -1.355 1.00 1.00 C ATOM 488 CG MET A 987 70.190 14.591 -0.750 1.00 1.00 C ATOM 489 SD MET A 987 70.812 13.357 -1.918 1.00 1.00 S ATOM 490 CE MET A 987 71.953 12.538 -0.782 1.00 1.00 C ATOM 0 H MET A 987 67.638 14.605 0.582 1.00 1.00 H new ATOM 0 HA MET A 987 69.261 16.877 0.095 1.00 1.00 H new ATOM 0 HB2 MET A 987 68.210 14.579 -1.613 1.00 1.00 H new ATOM 0 HB3 MET A 987 69.267 15.807 -2.278 1.00 1.00 H new ATOM 0 HG2 MET A 987 70.972 15.314 -0.517 1.00 1.00 H new ATOM 0 HG3 MET A 987 69.910 14.111 0.188 1.00 1.00 H new ATOM 0 HE1 MET A 987 72.460 11.724 -1.300 1.00 1.00 H new ATOM 0 HE2 MET A 987 72.691 13.257 -0.426 1.00 1.00 H new ATOM 0 HE3 MET A 987 71.398 12.138 0.066 1.00 1.00 H new ATOM 500 N TRP A 988 66.290 16.878 -1.330 1.00 1.00 N ATOM 501 CA TRP A 988 65.324 17.744 -2.000 1.00 1.00 C ATOM 502 C TRP A 988 65.026 18.957 -1.124 1.00 1.00 C ATOM 503 O TRP A 988 64.934 20.078 -1.619 1.00 1.00 O ATOM 504 CB TRP A 988 64.030 16.970 -2.260 1.00 1.00 C ATOM 505 CG TRP A 988 62.947 17.914 -2.683 1.00 1.00 C ATOM 506 CD1 TRP A 988 63.128 19.065 -3.376 1.00 1.00 C ATOM 507 CD2 TRP A 988 61.515 17.802 -2.447 1.00 1.00 C ATOM 508 NE1 TRP A 988 61.897 19.665 -3.575 1.00 1.00 N ATOM 509 CE2 TRP A 988 60.873 18.926 -3.018 1.00 1.00 C ATOM 510 CE3 TRP A 988 60.720 16.845 -1.793 1.00 1.00 C ATOM 511 CZ2 TRP A 988 59.489 19.091 -2.946 1.00 1.00 C ATOM 512 CZ3 TRP A 988 59.328 17.006 -1.718 1.00 1.00 C ATOM 513 CH2 TRP A 988 58.713 18.129 -2.292 1.00 1.00 C ATOM 0 H TRP A 988 65.941 15.949 -1.097 1.00 1.00 H new ATOM 0 HA TRP A 988 65.742 18.078 -2.950 1.00 1.00 H new ATOM 0 HB2 TRP A 988 64.194 16.220 -3.034 1.00 1.00 H new ATOM 0 HB3 TRP A 988 63.728 16.437 -1.359 1.00 1.00 H new ATOM 0 HD1 TRP A 988 64.077 19.451 -3.717 1.00 1.00 H new ATOM 0 HE1 TRP A 988 61.763 20.545 -4.072 1.00 1.00 H new ATOM 0 HE3 TRP A 988 61.184 15.979 -1.345 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 59.021 19.956 -3.392 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 58.727 16.262 -1.216 1.00 1.00 H new ATOM 0 HH2 TRP A 988 57.642 18.250 -2.229 1.00 1.00 H new ATOM 524 N LYS A 989 64.841 18.733 0.167 1.00 1.00 N ATOM 525 CA LYS A 989 64.518 19.820 1.083 1.00 1.00 C ATOM 526 C LYS A 989 65.635 20.854 1.141 1.00 1.00 C ATOM 527 O LYS A 989 65.385 22.049 1.288 1.00 1.00 O ATOM 528 CB LYS A 989 64.267 19.260 2.488 1.00 1.00 C ATOM 529 CG LYS A 989 63.789 20.384 3.414 1.00 1.00 C ATOM 530 CD LYS A 989 63.477 19.811 4.801 1.00 1.00 C ATOM 531 CE LYS A 989 62.983 20.934 5.719 1.00 1.00 C ATOM 532 NZ LYS A 989 62.653 20.375 7.060 1.00 1.00 N ATOM 0 H LYS A 989 64.908 17.814 0.605 1.00 1.00 H new ATOM 0 HA LYS A 989 63.618 20.311 0.712 1.00 1.00 H new ATOM 0 HB2 LYS A 989 63.520 18.468 2.446 1.00 1.00 H new ATOM 0 HB3 LYS A 989 65.181 18.815 2.882 1.00 1.00 H new ATOM 0 HG2 LYS A 989 64.556 21.155 3.492 1.00 1.00 H new ATOM 0 HG3 LYS A 989 62.901 20.859 2.997 1.00 1.00 H new ATOM 0 HD2 LYS A 989 62.719 19.032 4.722 1.00 1.00 H new ATOM 0 HD3 LYS A 989 64.368 19.347 5.223 1.00 1.00 H new ATOM 0 HE2 LYS A 989 63.749 21.704 5.813 1.00 1.00 H new ATOM 0 HE3 LYS A 989 62.104 21.411 5.286 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 62.318 21.139 7.682 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 61.908 19.656 6.963 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 63.502 19.940 7.473 1.00 1.00 H new ATOM 546 N VAL A 990 66.867 20.376 1.038 1.00 1.00 N ATOM 547 CA VAL A 990 68.019 21.260 1.091 1.00 1.00 C ATOM 548 C VAL A 990 68.175 21.962 -0.236 1.00 1.00 C ATOM 549 O VAL A 990 69.061 22.796 -0.411 1.00 1.00 O ATOM 550 CB VAL A 990 69.288 20.461 1.412 1.00 1.00 C ATOM 551 CG1 VAL A 990 70.493 21.405 1.472 1.00 1.00 C ATOM 552 CG2 VAL A 990 69.125 19.768 2.767 1.00 1.00 C ATOM 0 H VAL A 990 67.092 19.388 0.918 1.00 1.00 H new ATOM 0 HA VAL A 990 67.865 21.999 1.877 1.00 1.00 H new ATOM 0 HB VAL A 990 69.449 19.716 0.633 1.00 1.00 H new ATOM 0 HG11 VAL A 990 71.392 20.833 1.700 1.00 1.00 H new ATOM 0 HG12 VAL A 990 70.614 21.902 0.510 1.00 1.00 H new ATOM 0 HG13 VAL A 990 70.331 22.152 2.249 1.00 1.00 H new ATOM 0 HG21 VAL A 990 70.027 19.200 2.996 1.00 1.00 H new ATOM 0 HG22 VAL A 990 68.962 20.517 3.542 1.00 1.00 H new ATOM 0 HG23 VAL A 990 68.270 19.093 2.730 1.00 1.00 H new ATOM 562 N GLY A 991 67.308 21.618 -1.177 1.00 1.00 N ATOM 563 CA GLY A 991 67.358 22.217 -2.485 1.00 1.00 C ATOM 564 C GLY A 991 68.570 21.700 -3.221 1.00 1.00 C ATOM 565 O GLY A 991 68.940 22.240 -4.259 1.00 1.00 O ATOM 0 H GLY A 991 66.567 20.929 -1.051 1.00 1.00 H new ATOM 0 HA2 GLY A 991 66.451 21.980 -3.042 1.00 1.00 H new ATOM 0 HA3 GLY A 991 67.405 23.303 -2.399 1.00 1.00 H new ATOM 569 N PHE A 992 69.220 20.676 -2.684 1.00 1.00 N ATOM 570 CA PHE A 992 70.415 20.142 -3.311 1.00 1.00 C ATOM 571 C PHE A 992 70.082 19.788 -4.760 1.00 1.00 C ATOM 572 O PHE A 992 70.806 20.145 -5.689 1.00 1.00 O ATOM 573 CB PHE A 992 70.850 18.885 -2.538 1.00 1.00 C ATOM 574 CG PHE A 992 72.345 18.600 -2.661 1.00 1.00 C ATOM 575 CD1 PHE A 992 73.104 19.044 -3.759 1.00 1.00 C ATOM 576 CD2 PHE A 992 72.971 17.867 -1.642 1.00 1.00 C ATOM 577 CE1 PHE A 992 74.474 18.755 -3.826 1.00 1.00 C ATOM 578 CE2 PHE A 992 74.339 17.581 -1.715 1.00 1.00 C ATOM 579 CZ PHE A 992 75.089 18.024 -2.805 1.00 1.00 C ATOM 0 H PHE A 992 68.941 20.204 -1.824 1.00 1.00 H new ATOM 0 HA PHE A 992 71.226 20.870 -3.296 1.00 1.00 H new ATOM 0 HB2 PHE A 992 70.593 19.005 -1.485 1.00 1.00 H new ATOM 0 HB3 PHE A 992 70.290 18.026 -2.907 1.00 1.00 H new ATOM 0 HD1 PHE A 992 72.631 19.607 -4.550 1.00 1.00 H new ATOM 0 HD2 PHE A 992 72.394 17.522 -0.797 1.00 1.00 H new ATOM 0 HE1 PHE A 992 75.056 19.098 -4.669 1.00 1.00 H new ATOM 0 HE2 PHE A 992 74.815 17.017 -0.927 1.00 1.00 H new ATOM 0 HZ PHE A 992 76.145 17.802 -2.860 1.00 1.00 H new ATOM 589 N PHE A 993 68.942 19.132 -4.959 1.00 1.00 N ATOM 590 CA PHE A 993 68.514 18.794 -6.317 1.00 1.00 C ATOM 591 C PHE A 993 67.842 19.992 -6.988 1.00 1.00 C ATOM 592 O PHE A 993 67.745 20.052 -8.214 1.00 1.00 O ATOM 593 CB PHE A 993 67.549 17.609 -6.302 1.00 1.00 C ATOM 594 CG PHE A 993 68.326 16.333 -6.079 1.00 1.00 C ATOM 595 CD1 PHE A 993 69.124 15.815 -7.106 1.00 1.00 C ATOM 596 CD2 PHE A 993 68.246 15.665 -4.852 1.00 1.00 C ATOM 597 CE1 PHE A 993 69.844 14.632 -6.906 1.00 1.00 C ATOM 598 CE2 PHE A 993 68.967 14.481 -4.653 1.00 1.00 C ATOM 599 CZ PHE A 993 69.766 13.965 -5.679 1.00 1.00 C ATOM 0 H PHE A 993 68.310 18.829 -4.218 1.00 1.00 H new ATOM 0 HA PHE A 993 69.403 18.521 -6.886 1.00 1.00 H new ATOM 0 HB2 PHE A 993 66.808 17.739 -5.513 1.00 1.00 H new ATOM 0 HB3 PHE A 993 67.005 17.557 -7.245 1.00 1.00 H new ATOM 0 HD1 PHE A 993 69.184 16.329 -8.054 1.00 1.00 H new ATOM 0 HD2 PHE A 993 67.629 16.062 -4.059 1.00 1.00 H new ATOM 0 HE1 PHE A 993 70.460 14.234 -7.699 1.00 1.00 H new ATOM 0 HE2 PHE A 993 68.906 13.965 -3.706 1.00 1.00 H new ATOM 0 HZ PHE A 993 70.322 13.052 -5.524 1.00 1.00 H new ATOM 804 N ASP B 692 77.066 -15.477 7.345 1.00 1.00 N ATOM 805 CA ASP B 692 76.110 -15.349 8.439 1.00 1.00 C ATOM 806 C ASP B 692 74.919 -14.493 8.015 1.00 1.00 C ATOM 807 O ASP B 692 75.008 -13.713 7.066 1.00 1.00 O ATOM 808 CB ASP B 692 76.786 -14.708 9.650 1.00 1.00 C ATOM 809 CG ASP B 692 77.761 -15.688 10.292 1.00 1.00 C ATOM 810 OD1 ASP B 692 77.691 -16.863 9.969 1.00 1.00 O ATOM 811 OD2 ASP B 692 78.564 -15.249 11.098 1.00 1.00 O ATOM 0 HA ASP B 692 75.755 -16.346 8.702 1.00 1.00 H new ATOM 0 HB2 ASP B 692 77.315 -13.806 9.344 1.00 1.00 H new ATOM 0 HB3 ASP B 692 76.033 -14.405 10.377 1.00 1.00 H new ATOM 816 N ILE B 693 73.796 -14.674 8.702 1.00 1.00 N ATOM 817 CA ILE B 693 72.572 -13.949 8.379 1.00 1.00 C ATOM 818 C ILE B 693 72.736 -12.441 8.545 1.00 1.00 C ATOM 819 O ILE B 693 72.284 -11.674 7.697 1.00 1.00 O ATOM 820 CB ILE B 693 71.435 -14.417 9.290 1.00 1.00 C ATOM 821 CG1 ILE B 693 71.050 -15.861 8.949 1.00 1.00 C ATOM 822 CG2 ILE B 693 70.223 -13.505 9.103 1.00 1.00 C ATOM 823 CD1 ILE B 693 70.131 -16.415 10.040 1.00 1.00 C ATOM 0 H ILE B 693 73.708 -15.318 9.488 1.00 1.00 H new ATOM 0 HA ILE B 693 72.342 -14.158 7.334 1.00 1.00 H new ATOM 0 HB ILE B 693 71.767 -14.373 10.327 1.00 1.00 H new ATOM 0 HG12 ILE B 693 70.547 -15.896 7.983 1.00 1.00 H new ATOM 0 HG13 ILE B 693 71.945 -16.477 8.865 1.00 1.00 H new ATOM 0 HG21 ILE B 693 69.413 -13.838 9.752 1.00 1.00 H new ATOM 0 HG22 ILE B 693 70.495 -12.481 9.359 1.00 1.00 H new ATOM 0 HG23 ILE B 693 69.895 -13.544 8.064 1.00 1.00 H new ATOM 0 HD11 ILE B 693 69.857 -17.442 9.798 1.00 1.00 H new ATOM 0 HD12 ILE B 693 70.650 -16.394 10.998 1.00 1.00 H new ATOM 0 HD13 ILE B 693 69.230 -15.804 10.102 1.00 1.00 H new ATOM 835 N LEU B 694 73.372 -12.009 9.629 1.00 1.00 N ATOM 836 CA LEU B 694 73.556 -10.580 9.852 1.00 1.00 C ATOM 837 C LEU B 694 74.406 -9.972 8.737 1.00 1.00 C ATOM 838 O LEU B 694 74.111 -8.885 8.246 1.00 1.00 O ATOM 839 CB LEU B 694 74.236 -10.341 11.202 1.00 1.00 C ATOM 840 CG LEU B 694 73.191 -10.393 12.321 1.00 1.00 C ATOM 841 CD1 LEU B 694 72.538 -11.779 12.352 1.00 1.00 C ATOM 842 CD2 LEU B 694 73.877 -10.126 13.663 1.00 1.00 C ATOM 0 H LEU B 694 73.761 -12.613 10.353 1.00 1.00 H new ATOM 0 HA LEU B 694 72.576 -10.102 9.852 1.00 1.00 H new ATOM 0 HB2 LEU B 694 75.004 -11.096 11.372 1.00 1.00 H new ATOM 0 HB3 LEU B 694 74.736 -9.372 11.202 1.00 1.00 H new ATOM 0 HG LEU B 694 72.427 -9.637 12.140 1.00 1.00 H new ATOM 0 HD11 LEU B 694 71.795 -11.813 13.149 1.00 1.00 H new ATOM 0 HD12 LEU B 694 72.053 -11.974 11.395 1.00 1.00 H new ATOM 0 HD13 LEU B 694 73.300 -12.536 12.534 1.00 1.00 H new ATOM 0 HD21 LEU B 694 73.138 -10.162 14.463 1.00 1.00 H new ATOM 0 HD22 LEU B 694 74.639 -10.885 13.839 1.00 1.00 H new ATOM 0 HD23 LEU B 694 74.343 -9.141 13.644 1.00 1.00 H new ATOM 854 N VAL B 695 75.459 -10.681 8.345 1.00 1.00 N ATOM 855 CA VAL B 695 76.344 -10.195 7.290 1.00 1.00 C ATOM 856 C VAL B 695 75.584 -10.054 5.974 1.00 1.00 C ATOM 857 O VAL B 695 75.705 -9.046 5.277 1.00 1.00 O ATOM 858 CB VAL B 695 77.517 -11.162 7.107 1.00 1.00 C ATOM 859 CG1 VAL B 695 78.317 -10.764 5.866 1.00 1.00 C ATOM 860 CG2 VAL B 695 78.431 -11.104 8.336 1.00 1.00 C ATOM 0 H VAL B 695 75.720 -11.586 8.737 1.00 1.00 H new ATOM 0 HA VAL B 695 76.724 -9.216 7.581 1.00 1.00 H new ATOM 0 HB VAL B 695 77.132 -12.175 6.987 1.00 1.00 H new ATOM 0 HG11 VAL B 695 79.152 -11.452 5.735 1.00 1.00 H new ATOM 0 HG12 VAL B 695 77.672 -10.806 4.988 1.00 1.00 H new ATOM 0 HG13 VAL B 695 78.698 -9.750 5.988 1.00 1.00 H new ATOM 0 HG21 VAL B 695 79.265 -11.793 8.202 1.00 1.00 H new ATOM 0 HG22 VAL B 695 78.814 -10.091 8.457 1.00 1.00 H new ATOM 0 HG23 VAL B 695 77.865 -11.387 9.224 1.00 1.00 H new ATOM 870 N VAL B 696 74.789 -11.064 5.646 1.00 1.00 N ATOM 871 CA VAL B 696 74.004 -11.037 4.420 1.00 1.00 C ATOM 872 C VAL B 696 72.984 -9.904 4.471 1.00 1.00 C ATOM 873 O VAL B 696 72.784 -9.187 3.491 1.00 1.00 O ATOM 874 CB VAL B 696 73.280 -12.370 4.238 1.00 1.00 C ATOM 875 CG1 VAL B 696 72.290 -12.261 3.077 1.00 1.00 C ATOM 876 CG2 VAL B 696 74.301 -13.472 3.934 1.00 1.00 C ATOM 0 H VAL B 696 74.671 -11.907 6.208 1.00 1.00 H new ATOM 0 HA VAL B 696 74.676 -10.872 3.578 1.00 1.00 H new ATOM 0 HB VAL B 696 72.742 -12.615 5.153 1.00 1.00 H new ATOM 0 HG11 VAL B 696 71.774 -13.213 2.948 1.00 1.00 H new ATOM 0 HG12 VAL B 696 71.561 -11.479 3.292 1.00 1.00 H new ATOM 0 HG13 VAL B 696 72.828 -12.013 2.162 1.00 1.00 H new ATOM 0 HG21 VAL B 696 73.783 -14.422 3.804 1.00 1.00 H new ATOM 0 HG22 VAL B 696 74.841 -13.226 3.020 1.00 1.00 H new ATOM 0 HG23 VAL B 696 75.006 -13.553 4.761 1.00 1.00 H new ATOM 886 N LEU B 697 72.318 -9.768 5.614 1.00 1.00 N ATOM 887 CA LEU B 697 71.293 -8.747 5.787 1.00 1.00 C ATOM 888 C LEU B 697 71.881 -7.339 5.640 1.00 1.00 C ATOM 889 O LEU B 697 71.296 -6.478 4.978 1.00 1.00 O ATOM 890 CB LEU B 697 70.683 -8.912 7.193 1.00 1.00 C ATOM 891 CG LEU B 697 69.601 -7.855 7.474 1.00 1.00 C ATOM 892 CD1 LEU B 697 68.372 -8.111 6.601 1.00 1.00 C ATOM 893 CD2 LEU B 697 69.185 -7.942 8.944 1.00 1.00 C ATOM 0 H LEU B 697 72.471 -10.354 6.435 1.00 1.00 H new ATOM 0 HA LEU B 697 70.531 -8.869 5.018 1.00 1.00 H new ATOM 0 HB2 LEU B 697 70.251 -9.908 7.287 1.00 1.00 H new ATOM 0 HB3 LEU B 697 71.471 -8.834 7.942 1.00 1.00 H new ATOM 0 HG LEU B 697 70.004 -6.868 7.250 1.00 1.00 H new ATOM 0 HD11 LEU B 697 67.614 -7.356 6.810 1.00 1.00 H new ATOM 0 HD12 LEU B 697 68.655 -8.060 5.550 1.00 1.00 H new ATOM 0 HD13 LEU B 697 67.969 -9.100 6.820 1.00 1.00 H new ATOM 0 HD21 LEU B 697 68.418 -7.195 9.150 1.00 1.00 H new ATOM 0 HD22 LEU B 697 68.789 -8.936 9.152 1.00 1.00 H new ATOM 0 HD23 LEU B 697 70.051 -7.757 9.579 1.00 1.00 H new ATOM 905 N LEU B 698 73.043 -7.124 6.248 1.00 1.00 N ATOM 906 CA LEU B 698 73.715 -5.828 6.176 1.00 1.00 C ATOM 907 C LEU B 698 74.130 -5.511 4.746 1.00 1.00 C ATOM 908 O LEU B 698 73.988 -4.381 4.275 1.00 1.00 O ATOM 909 CB LEU B 698 74.946 -5.820 7.087 1.00 1.00 C ATOM 910 CG LEU B 698 74.501 -5.830 8.555 1.00 1.00 C ATOM 911 CD1 LEU B 698 75.714 -6.072 9.455 1.00 1.00 C ATOM 912 CD2 LEU B 698 73.857 -4.486 8.924 1.00 1.00 C ATOM 0 H LEU B 698 73.539 -7.827 6.795 1.00 1.00 H new ATOM 0 HA LEU B 698 73.014 -5.063 6.511 1.00 1.00 H new ATOM 0 HB2 LEU B 698 75.570 -6.690 6.880 1.00 1.00 H new ATOM 0 HB3 LEU B 698 75.553 -4.937 6.887 1.00 1.00 H new ATOM 0 HG LEU B 698 73.771 -6.627 8.696 1.00 1.00 H new ATOM 0 HD11 LEU B 698 75.398 -6.079 10.498 1.00 1.00 H new ATOM 0 HD12 LEU B 698 76.166 -7.032 9.206 1.00 1.00 H new ATOM 0 HD13 LEU B 698 76.444 -5.277 9.303 1.00 1.00 H new ATOM 0 HD21 LEU B 698 73.546 -4.506 9.968 1.00 1.00 H new ATOM 0 HD22 LEU B 698 74.580 -3.684 8.776 1.00 1.00 H new ATOM 0 HD23 LEU B 698 72.988 -4.313 8.290 1.00 1.00 H new ATOM 924 N SER B 699 74.653 -6.519 4.064 1.00 1.00 N ATOM 925 CA SER B 699 75.101 -6.354 2.689 1.00 1.00 C ATOM 926 C SER B 699 73.948 -5.975 1.759 1.00 1.00 C ATOM 927 O SER B 699 74.126 -5.177 0.842 1.00 1.00 O ATOM 928 CB SER B 699 75.749 -7.655 2.221 1.00 1.00 C ATOM 929 OG SER B 699 74.835 -8.723 2.428 1.00 1.00 O ATOM 0 H SER B 699 74.778 -7.459 4.440 1.00 1.00 H new ATOM 0 HA SER B 699 75.825 -5.540 2.655 1.00 1.00 H new ATOM 0 HB2 SER B 699 76.016 -7.586 1.166 1.00 1.00 H new ATOM 0 HB3 SER B 699 76.672 -7.836 2.772 1.00 1.00 H new ATOM 0 HG SER B 699 74.037 -8.386 2.887 1.00 1.00 H new ATOM 935 N VAL B 700 72.772 -6.546 1.997 1.00 1.00 N ATOM 936 CA VAL B 700 71.616 -6.243 1.159 1.00 1.00 C ATOM 937 C VAL B 700 71.233 -4.770 1.282 1.00 1.00 C ATOM 938 O VAL B 700 70.984 -4.095 0.290 1.00 1.00 O ATOM 939 CB VAL B 700 70.432 -7.112 1.572 1.00 1.00 C ATOM 940 CG1 VAL B 700 69.183 -6.644 0.824 1.00 1.00 C ATOM 941 CG2 VAL B 700 70.729 -8.572 1.215 1.00 1.00 C ATOM 0 H VAL B 700 72.594 -7.211 2.750 1.00 1.00 H new ATOM 0 HA VAL B 700 71.879 -6.453 0.122 1.00 1.00 H new ATOM 0 HB VAL B 700 70.266 -7.028 2.646 1.00 1.00 H new ATOM 0 HG11 VAL B 700 68.333 -7.261 1.114 1.00 1.00 H new ATOM 0 HG12 VAL B 700 68.978 -5.603 1.074 1.00 1.00 H new ATOM 0 HG13 VAL B 700 69.347 -6.734 -0.250 1.00 1.00 H new ATOM 0 HG21 VAL B 700 69.886 -9.197 1.508 1.00 1.00 H new ATOM 0 HG22 VAL B 700 70.888 -8.659 0.140 1.00 1.00 H new ATOM 0 HG23 VAL B 700 71.625 -8.901 1.742 1.00 1.00 H new ATOM 951 N MET B 701 71.212 -4.288 2.511 1.00 1.00 N ATOM 952 CA MET B 701 70.869 -2.893 2.759 1.00 1.00 C ATOM 953 C MET B 701 71.885 -1.960 2.112 1.00 1.00 C ATOM 954 O MET B 701 71.512 -0.934 1.542 1.00 1.00 O ATOM 955 CB MET B 701 70.743 -2.614 4.256 1.00 1.00 C ATOM 956 CG MET B 701 69.405 -3.145 4.757 1.00 1.00 C ATOM 957 SD MET B 701 69.337 -2.983 6.559 1.00 1.00 S ATOM 958 CE MET B 701 69.252 -1.176 6.637 1.00 1.00 C ATOM 0 H MET B 701 71.425 -4.832 3.347 1.00 1.00 H new ATOM 0 HA MET B 701 69.898 -2.701 2.303 1.00 1.00 H new ATOM 0 HB2 MET B 701 71.561 -3.090 4.796 1.00 1.00 H new ATOM 0 HB3 MET B 701 70.816 -1.543 4.445 1.00 1.00 H new ATOM 0 HG2 MET B 701 68.586 -2.591 4.299 1.00 1.00 H new ATOM 0 HG3 MET B 701 69.284 -4.189 4.469 1.00 1.00 H new ATOM 0 HE1 MET B 701 68.679 -0.876 7.514 1.00 1.00 H new ATOM 0 HE2 MET B 701 70.260 -0.767 6.705 1.00 1.00 H new ATOM 0 HE3 MET B 701 68.766 -0.796 5.739 1.00 1.00 H new ATOM 968 N GLY B 702 73.169 -2.316 2.157 1.00 1.00 N ATOM 969 CA GLY B 702 74.195 -1.489 1.527 1.00 1.00 C ATOM 970 C GLY B 702 74.008 -1.470 0.010 1.00 1.00 C ATOM 971 O GLY B 702 74.135 -0.427 -0.626 1.00 1.00 O ATOM 0 H GLY B 702 73.518 -3.158 2.615 1.00 1.00 H new ATOM 0 HA2 GLY B 702 74.143 -0.473 1.919 1.00 1.00 H new ATOM 0 HA3 GLY B 702 75.184 -1.875 1.773 1.00 1.00 H new ATOM 975 N ALA B 703 73.709 -2.636 -0.559 1.00 1.00 N ATOM 976 CA ALA B 703 73.511 -2.759 -2.008 1.00 1.00 C ATOM 977 C ALA B 703 72.355 -1.875 -2.481 1.00 1.00 C ATOM 978 O ALA B 703 72.427 -1.259 -3.542 1.00 1.00 O ATOM 979 CB ALA B 703 73.207 -4.206 -2.362 1.00 1.00 C ATOM 0 H ALA B 703 73.598 -3.509 -0.043 1.00 1.00 H new ATOM 0 HA ALA B 703 74.426 -2.435 -2.505 1.00 1.00 H new ATOM 0 HB1 ALA B 703 73.060 -4.294 -3.439 1.00 1.00 H new ATOM 0 HB2 ALA B 703 74.041 -4.838 -2.056 1.00 1.00 H new ATOM 0 HB3 ALA B 703 72.302 -4.524 -1.845 1.00 1.00 H new ATOM 985 N ILE B 704 71.299 -1.808 -1.671 1.00 1.00 N ATOM 986 CA ILE B 704 70.145 -0.980 -2.014 1.00 1.00 C ATOM 987 C ILE B 704 70.608 0.481 -2.125 1.00 1.00 C ATOM 988 O ILE B 704 70.212 1.211 -3.043 1.00 1.00 O ATOM 989 CB ILE B 704 69.073 -1.055 -0.903 1.00 1.00 C ATOM 990 CG1 ILE B 704 68.377 -2.434 -0.827 1.00 1.00 C ATOM 991 CG2 ILE B 704 68.022 0.024 -1.117 1.00 1.00 C ATOM 992 CD1 ILE B 704 67.701 -2.788 -2.157 1.00 1.00 C ATOM 0 H ILE B 704 71.219 -2.309 -0.786 1.00 1.00 H new ATOM 0 HA ILE B 704 69.722 -1.337 -2.953 1.00 1.00 H new ATOM 0 HB ILE B 704 69.594 -0.899 0.041 1.00 1.00 H new ATOM 0 HG12 ILE B 704 69.109 -3.200 -0.573 1.00 1.00 H new ATOM 0 HG13 ILE B 704 67.634 -2.426 -0.029 1.00 1.00 H new ATOM 0 HG21 ILE B 704 67.272 -0.038 -0.329 1.00 1.00 H new ATOM 0 HG22 ILE B 704 68.497 1.005 -1.090 1.00 1.00 H new ATOM 0 HG23 ILE B 704 67.544 -0.121 -2.086 1.00 1.00 H new ATOM 0 HD11 ILE B 704 67.220 -3.763 -2.073 1.00 1.00 H new ATOM 0 HD12 ILE B 704 66.952 -2.033 -2.397 1.00 1.00 H new ATOM 0 HD13 ILE B 704 68.450 -2.820 -2.949 1.00 1.00 H new ATOM 1004 N LEU B 705 71.453 0.914 -1.195 1.00 1.00 N ATOM 1005 CA LEU B 705 71.936 2.304 -1.226 1.00 1.00 C ATOM 1006 C LEU B 705 72.675 2.597 -2.537 1.00 1.00 C ATOM 1007 O LEU B 705 72.411 3.618 -3.177 1.00 1.00 O ATOM 1008 CB LEU B 705 72.903 2.584 -0.068 1.00 1.00 C ATOM 1009 CG LEU B 705 72.154 2.542 1.262 1.00 1.00 C ATOM 1010 CD1 LEU B 705 73.155 2.676 2.409 1.00 1.00 C ATOM 1011 CD2 LEU B 705 71.124 3.682 1.343 1.00 1.00 C ATOM 0 H LEU B 705 71.814 0.347 -0.428 1.00 1.00 H new ATOM 0 HA LEU B 705 71.058 2.943 -1.137 1.00 1.00 H new ATOM 0 HB2 LEU B 705 73.705 1.845 -0.066 1.00 1.00 H new ATOM 0 HB3 LEU B 705 73.369 3.560 -0.201 1.00 1.00 H new ATOM 0 HG LEU B 705 71.626 1.592 1.337 1.00 1.00 H new ATOM 0 HD11 LEU B 705 72.624 2.646 3.361 1.00 1.00 H new ATOM 0 HD12 LEU B 705 73.869 1.854 2.366 1.00 1.00 H new ATOM 0 HD13 LEU B 705 73.686 3.623 2.319 1.00 1.00 H new ATOM 0 HD21 LEU B 705 70.602 3.633 2.299 1.00 1.00 H new ATOM 0 HD22 LEU B 705 71.635 4.641 1.257 1.00 1.00 H new ATOM 0 HD23 LEU B 705 70.404 3.581 0.531 1.00 1.00 H new ATOM 1023 N LEU B 706 73.557 1.708 -2.964 1.00 1.00 N ATOM 1024 CA LEU B 706 74.272 1.935 -4.225 1.00 1.00 C ATOM 1025 C LEU B 706 73.310 1.974 -5.416 1.00 1.00 C ATOM 1026 O LEU B 706 73.455 2.818 -6.304 1.00 1.00 O ATOM 1027 CB LEU B 706 75.329 0.849 -4.460 1.00 1.00 C ATOM 1028 CG LEU B 706 76.626 1.201 -3.724 1.00 1.00 C ATOM 1029 CD1 LEU B 706 76.370 1.288 -2.219 1.00 1.00 C ATOM 1030 CD2 LEU B 706 77.652 0.102 -4.002 1.00 1.00 C ATOM 0 H LEU B 706 73.796 0.844 -2.478 1.00 1.00 H new ATOM 0 HA LEU B 706 74.765 2.904 -4.142 1.00 1.00 H new ATOM 0 HB2 LEU B 706 74.955 -0.114 -4.111 1.00 1.00 H new ATOM 0 HB3 LEU B 706 75.525 0.747 -5.527 1.00 1.00 H new ATOM 0 HG LEU B 706 76.997 2.165 -4.072 1.00 1.00 H new ATOM 0 HD11 LEU B 706 77.298 1.539 -1.706 1.00 1.00 H new ATOM 0 HD12 LEU B 706 75.626 2.059 -2.020 1.00 1.00 H new ATOM 0 HD13 LEU B 706 76.003 0.328 -1.856 1.00 1.00 H new ATOM 0 HD21 LEU B 706 78.583 0.335 -3.486 1.00 1.00 H new ATOM 0 HD22 LEU B 706 77.268 -0.853 -3.644 1.00 1.00 H new ATOM 0 HD23 LEU B 706 77.837 0.040 -5.074 1.00 1.00 H new ATOM 1042 N ILE B 707 72.335 1.069 -5.449 1.00 1.00 N ATOM 1043 CA ILE B 707 71.388 1.043 -6.562 1.00 1.00 C ATOM 1044 C ILE B 707 70.565 2.331 -6.605 1.00 1.00 C ATOM 1045 O ILE B 707 70.403 2.928 -7.664 1.00 1.00 O ATOM 1046 CB ILE B 707 70.434 -0.148 -6.400 1.00 1.00 C ATOM 1047 CG1 ILE B 707 71.204 -1.479 -6.568 1.00 1.00 C ATOM 1048 CG2 ILE B 707 69.296 -0.058 -7.428 1.00 1.00 C ATOM 1049 CD1 ILE B 707 71.849 -1.593 -7.960 1.00 1.00 C ATOM 0 H ILE B 707 72.181 0.358 -4.735 1.00 1.00 H new ATOM 0 HA ILE B 707 71.954 0.950 -7.489 1.00 1.00 H new ATOM 0 HB ILE B 707 70.005 -0.119 -5.399 1.00 1.00 H new ATOM 0 HG12 ILE B 707 71.976 -1.551 -5.802 1.00 1.00 H new ATOM 0 HG13 ILE B 707 70.522 -2.315 -6.413 1.00 1.00 H new ATOM 0 HG21 ILE B 707 68.625 -0.908 -7.304 1.00 1.00 H new ATOM 0 HG22 ILE B 707 68.741 0.868 -7.276 1.00 1.00 H new ATOM 0 HG23 ILE B 707 69.713 -0.069 -8.435 1.00 1.00 H new ATOM 0 HD11 ILE B 707 72.380 -2.542 -8.038 1.00 1.00 H new ATOM 0 HD12 ILE B 707 71.074 -1.547 -8.725 1.00 1.00 H new ATOM 0 HD13 ILE B 707 72.550 -0.771 -8.104 1.00 1.00 H new ATOM 1061 N GLY B 708 70.063 2.766 -5.450 1.00 1.00 N ATOM 1062 CA GLY B 708 69.277 3.996 -5.394 1.00 1.00 C ATOM 1063 C GLY B 708 70.144 5.226 -5.662 1.00 1.00 C ATOM 1064 O GLY B 708 69.726 6.155 -6.353 1.00 1.00 O ATOM 0 H GLY B 708 70.184 2.293 -4.554 1.00 1.00 H new ATOM 0 HA2 GLY B 708 68.473 3.949 -6.128 1.00 1.00 H new ATOM 0 HA3 GLY B 708 68.809 4.086 -4.414 1.00 1.00 H new ATOM 1068 N LEU B 709 71.348 5.228 -5.097 1.00 1.00 N ATOM 1069 CA LEU B 709 72.294 6.330 -5.255 1.00 1.00 C ATOM 1070 C LEU B 709 72.815 6.498 -6.680 1.00 1.00 C ATOM 1071 O LEU B 709 73.060 7.620 -7.121 1.00 1.00 O ATOM 1072 CB LEU B 709 73.469 6.143 -4.301 1.00 1.00 C ATOM 1073 CG LEU B 709 73.010 6.403 -2.863 1.00 1.00 C ATOM 1074 CD1 LEU B 709 74.099 5.932 -1.898 1.00 1.00 C ATOM 1075 CD2 LEU B 709 72.759 7.904 -2.650 1.00 1.00 C ATOM 0 H LEU B 709 71.696 4.465 -4.516 1.00 1.00 H new ATOM 0 HA LEU B 709 71.743 7.240 -5.018 1.00 1.00 H new ATOM 0 HB2 LEU B 709 73.865 5.131 -4.390 1.00 1.00 H new ATOM 0 HB3 LEU B 709 74.277 6.826 -4.565 1.00 1.00 H new ATOM 0 HG LEU B 709 72.084 5.858 -2.678 1.00 1.00 H new ATOM 0 HD11 LEU B 709 73.779 6.114 -0.872 1.00 1.00 H new ATOM 0 HD12 LEU B 709 74.274 4.866 -2.040 1.00 1.00 H new ATOM 0 HD13 LEU B 709 75.020 6.480 -2.094 1.00 1.00 H new ATOM 0 HD21 LEU B 709 72.433 8.076 -1.624 1.00 1.00 H new ATOM 0 HD22 LEU B 709 73.680 8.457 -2.836 1.00 1.00 H new ATOM 0 HD23 LEU B 709 71.986 8.245 -3.338 1.00 1.00 H new ATOM 1087 N ALA B 710 73.053 5.391 -7.382 1.00 1.00 N ATOM 1088 CA ALA B 710 73.618 5.481 -8.724 1.00 1.00 C ATOM 1089 C ALA B 710 72.800 6.401 -9.636 1.00 1.00 C ATOM 1090 O ALA B 710 73.345 7.377 -10.155 1.00 1.00 O ATOM 1091 CB ALA B 710 73.769 4.090 -9.349 1.00 1.00 C ATOM 0 H ALA B 710 72.868 4.443 -7.053 1.00 1.00 H new ATOM 0 HA ALA B 710 74.608 5.925 -8.624 1.00 1.00 H new ATOM 0 HB1 ALA B 710 74.192 4.184 -10.349 1.00 1.00 H new ATOM 0 HB2 ALA B 710 74.431 3.483 -8.731 1.00 1.00 H new ATOM 0 HB3 ALA B 710 72.792 3.612 -9.412 1.00 1.00 H new ATOM 1097 N PRO B 711 71.524 6.160 -9.837 1.00 1.00 N ATOM 1098 CA PRO B 711 70.698 7.055 -10.695 1.00 1.00 C ATOM 1099 C PRO B 711 70.796 8.508 -10.238 1.00 1.00 C ATOM 1100 O PRO B 711 70.956 9.417 -11.049 1.00 1.00 O ATOM 1101 CB PRO B 711 69.268 6.543 -10.504 1.00 1.00 C ATOM 1102 CG PRO B 711 69.400 5.131 -10.046 1.00 1.00 C ATOM 1103 CD PRO B 711 70.735 5.036 -9.303 1.00 1.00 C ATOM 0 HA PRO B 711 71.026 7.038 -11.734 1.00 1.00 H new ATOM 0 HB2 PRO B 711 68.732 7.144 -9.769 1.00 1.00 H new ATOM 0 HB3 PRO B 711 68.704 6.601 -11.435 1.00 1.00 H new ATOM 0 HG2 PRO B 711 68.572 4.857 -9.392 1.00 1.00 H new ATOM 0 HG3 PRO B 711 69.378 4.445 -10.893 1.00 1.00 H new ATOM 0 HD2 PRO B 711 70.598 5.122 -8.225 1.00 1.00 H new ATOM 0 HD3 PRO B 711 71.227 4.081 -9.487 1.00 1.00 H new ATOM 1111 N LEU B 712 70.724 8.707 -8.925 1.00 1.00 N ATOM 1112 CA LEU B 712 70.829 10.044 -8.352 1.00 1.00 C ATOM 1113 C LEU B 712 72.216 10.630 -8.594 1.00 1.00 C ATOM 1114 O LEU B 712 72.355 11.808 -8.922 1.00 1.00 O ATOM 1115 CB LEU B 712 70.558 9.986 -6.849 1.00 1.00 C ATOM 1116 CG LEU B 712 69.080 9.658 -6.605 1.00 1.00 C ATOM 1117 CD1 LEU B 712 68.855 9.371 -5.118 1.00 1.00 C ATOM 1118 CD2 LEU B 712 68.194 10.836 -7.037 1.00 1.00 C ATOM 0 H LEU B 712 70.594 7.962 -8.240 1.00 1.00 H new ATOM 0 HA LEU B 712 70.090 10.683 -8.836 1.00 1.00 H new ATOM 0 HB2 LEU B 712 71.190 9.230 -6.384 1.00 1.00 H new ATOM 0 HB3 LEU B 712 70.810 10.940 -6.387 1.00 1.00 H new ATOM 0 HG LEU B 712 68.814 8.779 -7.193 1.00 1.00 H new ATOM 0 HD11 LEU B 712 67.804 9.138 -4.947 1.00 1.00 H new ATOM 0 HD12 LEU B 712 69.468 8.523 -4.814 1.00 1.00 H new ATOM 0 HD13 LEU B 712 69.132 10.247 -4.532 1.00 1.00 H new ATOM 0 HD21 LEU B 712 67.148 10.589 -6.858 1.00 1.00 H new ATOM 0 HD22 LEU B 712 68.461 11.722 -6.462 1.00 1.00 H new ATOM 0 HD23 LEU B 712 68.344 11.034 -8.098 1.00 1.00 H new ATOM 1130 N LEU B 713 73.239 9.798 -8.428 1.00 1.00 N ATOM 1131 CA LEU B 713 74.614 10.236 -8.622 1.00 1.00 C ATOM 1132 C LEU B 713 74.849 10.668 -10.063 1.00 1.00 C ATOM 1133 O LEU B 713 75.512 11.675 -10.315 1.00 1.00 O ATOM 1134 CB LEU B 713 75.580 9.106 -8.258 1.00 1.00 C ATOM 1135 CG LEU B 713 75.740 9.024 -6.733 1.00 1.00 C ATOM 1136 CD1 LEU B 713 76.508 7.749 -6.377 1.00 1.00 C ATOM 1137 CD2 LEU B 713 76.521 10.238 -6.209 1.00 1.00 C ATOM 0 H LEU B 713 73.141 8.819 -8.160 1.00 1.00 H new ATOM 0 HA LEU B 713 74.794 11.091 -7.971 1.00 1.00 H new ATOM 0 HB2 LEU B 713 75.206 8.158 -8.644 1.00 1.00 H new ATOM 0 HB3 LEU B 713 76.549 9.280 -8.725 1.00 1.00 H new ATOM 0 HG LEU B 713 74.751 9.012 -6.275 1.00 1.00 H new ATOM 0 HD11 LEU B 713 76.625 7.685 -5.295 1.00 1.00 H new ATOM 0 HD12 LEU B 713 75.956 6.880 -6.734 1.00 1.00 H new ATOM 0 HD13 LEU B 713 77.491 7.773 -6.847 1.00 1.00 H new ATOM 0 HD21 LEU B 713 76.625 10.164 -5.127 1.00 1.00 H new ATOM 0 HD22 LEU B 713 77.509 10.261 -6.668 1.00 1.00 H new ATOM 0 HD23 LEU B 713 75.983 11.152 -6.460 1.00 1.00 H new ATOM 1149 N ILE B 714 74.300 9.910 -11.004 1.00 1.00 N ATOM 1150 CA ILE B 714 74.461 10.245 -12.412 1.00 1.00 C ATOM 1151 C ILE B 714 73.795 11.584 -12.698 1.00 1.00 C ATOM 1152 O ILE B 714 74.368 12.439 -13.371 1.00 1.00 O ATOM 1153 CB ILE B 714 73.834 9.156 -13.284 1.00 1.00 C ATOM 1154 CG1 ILE B 714 74.651 7.870 -13.145 1.00 1.00 C ATOM 1155 CG2 ILE B 714 73.831 9.607 -14.747 1.00 1.00 C ATOM 1156 CD1 ILE B 714 73.890 6.705 -13.782 1.00 1.00 C ATOM 0 H ILE B 714 73.748 9.072 -10.822 1.00 1.00 H new ATOM 0 HA ILE B 714 75.524 10.314 -12.644 1.00 1.00 H new ATOM 0 HB ILE B 714 72.808 8.975 -12.963 1.00 1.00 H new ATOM 0 HG12 ILE B 714 75.621 7.990 -13.627 1.00 1.00 H new ATOM 0 HG13 ILE B 714 74.842 7.661 -12.092 1.00 1.00 H new ATOM 0 HG21 ILE B 714 73.384 8.830 -15.366 1.00 1.00 H new ATOM 0 HG22 ILE B 714 73.252 10.526 -14.843 1.00 1.00 H new ATOM 0 HG23 ILE B 714 74.855 9.787 -15.074 1.00 1.00 H new ATOM 0 HD11 ILE B 714 74.474 5.790 -13.682 1.00 1.00 H new ATOM 0 HD12 ILE B 714 72.930 6.580 -13.280 1.00 1.00 H new ATOM 0 HD13 ILE B 714 73.722 6.914 -14.839 1.00 1.00 H new ATOM 1168 N TRP B 715 72.592 11.770 -12.164 1.00 1.00 N ATOM 1169 CA TRP B 715 71.861 13.017 -12.345 1.00 1.00 C ATOM 1170 C TRP B 715 72.649 14.165 -11.720 1.00 1.00 C ATOM 1171 O TRP B 715 72.852 15.209 -12.339 1.00 1.00 O ATOM 1172 CB TRP B 715 70.477 12.841 -11.697 1.00 1.00 C ATOM 1173 CG TRP B 715 69.762 14.142 -11.467 1.00 1.00 C ATOM 1174 CD1 TRP B 715 69.962 15.308 -12.128 1.00 1.00 C ATOM 1175 CD2 TRP B 715 68.686 14.397 -10.517 1.00 1.00 C ATOM 1176 NE1 TRP B 715 69.100 16.267 -11.612 1.00 1.00 N ATOM 1177 CE2 TRP B 715 68.291 15.749 -10.622 1.00 1.00 C ATOM 1178 CE3 TRP B 715 68.035 13.587 -9.569 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 67.275 16.279 -9.823 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 67.011 14.115 -8.766 1.00 1.00 C ATOM 1181 CH2 TRP B 715 66.635 15.458 -8.889 1.00 1.00 C ATOM 0 H TRP B 715 72.104 11.072 -11.603 1.00 1.00 H new ATOM 0 HA TRP B 715 71.730 13.258 -13.400 1.00 1.00 H new ATOM 0 HB2 TRP B 715 69.863 12.204 -12.334 1.00 1.00 H new ATOM 0 HB3 TRP B 715 70.592 12.324 -10.745 1.00 1.00 H new ATOM 0 HD1 TRP B 715 70.674 15.466 -12.925 1.00 1.00 H new ATOM 0 HE1 TRP B 715 69.069 17.237 -11.927 1.00 1.00 H new ATOM 0 HE3 TRP B 715 68.325 12.552 -9.458 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 66.986 17.315 -9.926 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 66.510 13.481 -8.049 1.00 1.00 H new ATOM 0 HH2 TRP B 715 65.852 15.860 -8.263 1.00 1.00 H new ATOM 1192 N LYS B 716 73.103 13.962 -10.490 1.00 1.00 N ATOM 1193 CA LYS B 716 73.867 14.986 -9.796 1.00 1.00 C ATOM 1194 C LYS B 716 75.130 15.329 -10.588 1.00 1.00 C ATOM 1195 O LYS B 716 75.471 16.500 -10.746 1.00 1.00 O ATOM 1196 CB LYS B 716 74.249 14.481 -8.395 1.00 1.00 C ATOM 1197 CG LYS B 716 74.937 15.594 -7.573 1.00 1.00 C ATOM 1198 CD LYS B 716 73.916 16.382 -6.719 1.00 1.00 C ATOM 1199 CE LYS B 716 73.115 17.380 -7.571 1.00 1.00 C ATOM 1200 NZ LYS B 716 72.709 18.537 -6.721 1.00 1.00 N ATOM 0 H LYS B 716 72.956 13.105 -9.957 1.00 1.00 H new ATOM 0 HA LYS B 716 73.257 15.885 -9.703 1.00 1.00 H new ATOM 0 HB2 LYS B 716 73.356 14.137 -7.873 1.00 1.00 H new ATOM 0 HB3 LYS B 716 74.916 13.624 -8.483 1.00 1.00 H new ATOM 0 HG2 LYS B 716 75.693 15.153 -6.923 1.00 1.00 H new ATOM 0 HG3 LYS B 716 75.454 16.278 -8.246 1.00 1.00 H new ATOM 0 HD2 LYS B 716 73.232 15.685 -6.234 1.00 1.00 H new ATOM 0 HD3 LYS B 716 74.440 16.917 -5.927 1.00 1.00 H new ATOM 0 HE2 LYS B 716 73.718 17.725 -8.411 1.00 1.00 H new ATOM 0 HE3 LYS B 716 72.234 16.894 -7.989 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 71.672 18.618 -6.718 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 73.048 18.389 -5.749 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 73.123 19.411 -7.103 1.00 1.00 H new ATOM 1214 N LEU B 717 75.829 14.312 -11.078 1.00 1.00 N ATOM 1215 CA LEU B 717 77.045 14.560 -11.841 1.00 1.00 C ATOM 1216 C LEU B 717 76.742 15.319 -13.139 1.00 1.00 C ATOM 1217 O LEU B 717 77.453 16.257 -13.495 1.00 1.00 O ATOM 1218 CB LEU B 717 77.730 13.227 -12.168 1.00 1.00 C ATOM 1219 CG LEU B 717 79.005 13.459 -12.991 1.00 1.00 C ATOM 1220 CD1 LEU B 717 79.952 14.393 -12.236 1.00 1.00 C ATOM 1221 CD2 LEU B 717 79.704 12.118 -13.216 1.00 1.00 C ATOM 0 H LEU B 717 75.582 13.329 -10.964 1.00 1.00 H new ATOM 0 HA LEU B 717 77.708 15.177 -11.234 1.00 1.00 H new ATOM 0 HB2 LEU B 717 77.978 12.704 -11.244 1.00 1.00 H new ATOM 0 HB3 LEU B 717 77.044 12.587 -12.723 1.00 1.00 H new ATOM 0 HG LEU B 717 78.739 13.911 -13.946 1.00 1.00 H new ATOM 0 HD11 LEU B 717 80.854 14.552 -12.827 1.00 1.00 H new ATOM 0 HD12 LEU B 717 79.458 15.349 -12.063 1.00 1.00 H new ATOM 0 HD13 LEU B 717 80.220 13.944 -11.279 1.00 1.00 H new ATOM 0 HD21 LEU B 717 80.611 12.274 -13.800 1.00 1.00 H new ATOM 0 HD22 LEU B 717 79.964 11.677 -12.254 1.00 1.00 H new ATOM 0 HD23 LEU B 717 79.036 11.446 -13.755 1.00 1.00 H new ATOM 1233 N LEU B 718 75.706 14.881 -13.856 1.00 1.00 N ATOM 1234 CA LEU B 718 75.347 15.502 -15.133 1.00 1.00 C ATOM 1235 C LEU B 718 74.933 16.964 -14.984 1.00 1.00 C ATOM 1236 O LEU B 718 75.346 17.804 -15.783 1.00 1.00 O ATOM 1237 CB LEU B 718 74.208 14.720 -15.793 1.00 1.00 C ATOM 1238 CG LEU B 718 74.726 13.360 -16.283 1.00 1.00 C ATOM 1239 CD1 LEU B 718 73.546 12.490 -16.717 1.00 1.00 C ATOM 1240 CD2 LEU B 718 75.679 13.548 -17.472 1.00 1.00 C ATOM 0 H LEU B 718 75.105 14.105 -13.578 1.00 1.00 H new ATOM 0 HA LEU B 718 76.240 15.475 -15.757 1.00 1.00 H new ATOM 0 HB2 LEU B 718 73.395 14.575 -15.082 1.00 1.00 H new ATOM 0 HB3 LEU B 718 73.802 15.288 -16.630 1.00 1.00 H new ATOM 0 HG LEU B 718 75.264 12.876 -15.468 1.00 1.00 H new ATOM 0 HD11 LEU B 718 73.914 11.525 -17.065 1.00 1.00 H new ATOM 0 HD12 LEU B 718 72.875 12.339 -15.872 1.00 1.00 H new ATOM 0 HD13 LEU B 718 73.007 12.985 -17.525 1.00 1.00 H new ATOM 0 HD21 LEU B 718 76.038 12.575 -17.808 1.00 1.00 H new ATOM 0 HD22 LEU B 718 75.150 14.041 -18.288 1.00 1.00 H new ATOM 0 HD23 LEU B 718 76.526 14.161 -17.166 1.00 1.00 H new ATOM 1252 N ILE B 719 74.129 17.280 -13.973 1.00 1.00 N ATOM 1253 CA ILE B 719 73.707 18.666 -13.797 1.00 1.00 C ATOM 1254 C ILE B 719 74.896 19.534 -13.405 1.00 1.00 C ATOM 1255 O ILE B 719 75.030 20.662 -13.879 1.00 1.00 O ATOM 1256 CB ILE B 719 72.571 18.781 -12.764 1.00 1.00 C ATOM 1257 CG1 ILE B 719 72.002 20.209 -12.775 1.00 1.00 C ATOM 1258 CG2 ILE B 719 73.086 18.456 -11.365 1.00 1.00 C ATOM 1259 CD1 ILE B 719 71.324 20.506 -14.118 1.00 1.00 C ATOM 0 H ILE B 719 73.767 16.621 -13.284 1.00 1.00 H new ATOM 0 HA ILE B 719 73.316 19.026 -14.749 1.00 1.00 H new ATOM 0 HB ILE B 719 71.789 18.070 -13.029 1.00 1.00 H new ATOM 0 HG12 ILE B 719 71.283 20.327 -11.964 1.00 1.00 H new ATOM 0 HG13 ILE B 719 72.803 20.927 -12.598 1.00 1.00 H new ATOM 0 HG21 ILE B 719 72.270 18.542 -10.648 1.00 1.00 H new ATOM 0 HG22 ILE B 719 73.478 17.439 -11.349 1.00 1.00 H new ATOM 0 HG23 ILE B 719 73.879 19.154 -11.098 1.00 1.00 H new ATOM 0 HD11 ILE B 719 70.927 21.521 -14.108 1.00 1.00 H new ATOM 0 HD12 ILE B 719 72.053 20.409 -14.923 1.00 1.00 H new ATOM 0 HD13 ILE B 719 70.510 19.799 -14.279 1.00 1.00 H new ATOM 1271 N THR B 720 75.752 19.015 -12.531 1.00 1.00 N ATOM 1272 CA THR B 720 76.909 19.782 -12.091 1.00 1.00 C ATOM 1273 C THR B 720 77.772 20.187 -13.284 1.00 1.00 C ATOM 1274 O THR B 720 78.230 21.327 -13.361 1.00 1.00 O ATOM 1275 CB THR B 720 77.744 18.958 -11.110 1.00 1.00 C ATOM 1276 OG1 THR B 720 78.068 17.707 -11.702 1.00 1.00 O ATOM 1277 CG2 THR B 720 76.947 18.728 -9.827 1.00 1.00 C ATOM 0 H THR B 720 75.669 18.085 -12.121 1.00 1.00 H new ATOM 0 HA THR B 720 76.552 20.684 -11.593 1.00 1.00 H new ATOM 0 HB THR B 720 78.662 19.496 -10.872 1.00 1.00 H new ATOM 0 HG1 THR B 720 77.517 17.571 -12.501 1.00 1.00 H new ATOM 0 HG21 THR B 720 77.543 18.141 -9.129 1.00 1.00 H new ATOM 0 HG22 THR B 720 76.700 19.689 -9.375 1.00 1.00 H new ATOM 0 HG23 THR B 720 76.028 18.190 -10.061 1.00 1.00 H new ATOM 1285 N ILE B 721 78.014 19.259 -14.207 1.00 1.00 N ATOM 1286 CA ILE B 721 78.847 19.563 -15.370 1.00 1.00 C ATOM 1287 C ILE B 721 78.222 20.661 -16.227 1.00 1.00 C ATOM 1288 O ILE B 721 78.911 21.579 -16.670 1.00 1.00 O ATOM 1289 CB ILE B 721 79.050 18.305 -16.224 1.00 1.00 C ATOM 1290 CG1 ILE B 721 79.904 17.271 -15.464 1.00 1.00 C ATOM 1291 CG2 ILE B 721 79.721 18.676 -17.550 1.00 1.00 C ATOM 1292 CD1 ILE B 721 81.303 17.824 -15.134 1.00 1.00 C ATOM 0 H ILE B 721 77.653 18.306 -14.175 1.00 1.00 H new ATOM 0 HA ILE B 721 79.811 19.915 -15.002 1.00 1.00 H new ATOM 0 HB ILE B 721 78.076 17.862 -16.432 1.00 1.00 H new ATOM 0 HG12 ILE B 721 79.397 16.987 -14.542 1.00 1.00 H new ATOM 0 HG13 ILE B 721 80.002 16.367 -16.065 1.00 1.00 H new ATOM 0 HG21 ILE B 721 79.862 17.777 -18.151 1.00 1.00 H new ATOM 0 HG22 ILE B 721 79.090 19.380 -18.093 1.00 1.00 H new ATOM 0 HG23 ILE B 721 80.690 19.135 -17.352 1.00 1.00 H new ATOM 0 HD11 ILE B 721 81.876 17.067 -14.598 1.00 1.00 H new ATOM 0 HD12 ILE B 721 81.819 18.083 -16.058 1.00 1.00 H new ATOM 0 HD13 ILE B 721 81.205 18.713 -14.511 1.00 1.00 H new ATOM 1304 N HIS B 722 76.913 20.569 -16.443 1.00 1.00 N ATOM 1305 CA HIS B 722 76.226 21.586 -17.233 1.00 1.00 C ATOM 1306 C HIS B 722 76.301 22.925 -16.506 1.00 1.00 C ATOM 1307 O HIS B 722 76.519 23.968 -17.120 1.00 1.00 O ATOM 1308 CB HIS B 722 74.762 21.197 -17.452 1.00 1.00 C ATOM 1309 CG HIS B 722 74.677 20.094 -18.474 1.00 1.00 C ATOM 1310 ND1 HIS B 722 74.957 18.772 -18.166 1.00 1.00 N ATOM 1311 CD2 HIS B 722 74.338 20.103 -19.805 1.00 1.00 C ATOM 1312 CE1 HIS B 722 74.782 18.048 -19.286 1.00 1.00 C ATOM 1313 NE2 HIS B 722 74.405 18.810 -20.315 1.00 1.00 N ATOM 0 H HIS B 722 76.318 19.819 -16.091 1.00 1.00 H new ATOM 0 HA HIS B 722 76.711 21.667 -18.206 1.00 1.00 H new ATOM 0 HB2 HIS B 722 74.318 20.870 -16.512 1.00 1.00 H new ATOM 0 HB3 HIS B 722 74.192 22.063 -17.789 1.00 1.00 H new ATOM 0 HD1 HIS B 722 75.244 18.413 -17.255 1.00 1.00 H new ATOM 0 HD2 HIS B 722 74.061 20.981 -20.370 1.00 1.00 H new ATOM 0 HE1 HIS B 722 74.929 16.980 -19.345 1.00 1.00 H new