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 180:sc= 0 USER MOD Single : A 987 MET CE :methyl 177:sc= -1.01 (180deg=-1.03) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 699 SER OG : rot -6:sc= 0.0844 USER MOD Single : B 701 MET CE :methyl 134:sc= -0.0859 (180deg=-1.16) USER MOD Single : B 716 LYS NZ :NH3+ 122:sc= -1.79! (180deg=-3.04!) USER MOD Single : B 720 THR OG1 : rot -5:sc= -0.0302 USER MOD Single : B 722 HIS : no HE2:sc= 0.966 K(o=0.97,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 64.221 -16.420 3.555 1.00 1.00 N ATOM 137 CA ILE A 966 63.088 -15.603 3.145 1.00 1.00 C ATOM 138 C ILE A 966 62.938 -14.302 3.945 1.00 1.00 C ATOM 139 O ILE A 966 62.662 -13.248 3.373 1.00 1.00 O ATOM 140 CB ILE A 966 61.802 -16.416 3.276 1.00 1.00 C ATOM 141 CG1 ILE A 966 61.809 -17.544 2.240 1.00 1.00 C ATOM 142 CG2 ILE A 966 60.595 -15.507 3.036 1.00 1.00 C ATOM 143 CD1 ILE A 966 60.677 -18.528 2.542 1.00 1.00 C ATOM 0 HA ILE A 966 63.276 -15.317 2.110 1.00 1.00 H new ATOM 0 HB ILE A 966 61.739 -16.841 4.278 1.00 1.00 H new ATOM 0 HG12 ILE A 966 61.688 -17.132 1.238 1.00 1.00 H new ATOM 0 HG13 ILE A 966 62.768 -18.061 2.258 1.00 1.00 H new ATOM 0 HG21 ILE A 966 59.678 -16.088 3.130 1.00 1.00 H new ATOM 0 HG22 ILE A 966 60.592 -14.704 3.773 1.00 1.00 H new ATOM 0 HG23 ILE A 966 60.654 -15.081 2.034 1.00 1.00 H new ATOM 0 HD11 ILE A 966 60.685 -19.329 1.803 1.00 1.00 H new ATOM 0 HD12 ILE A 966 60.818 -18.950 3.537 1.00 1.00 H new ATOM 0 HD13 ILE A 966 59.721 -18.006 2.501 1.00 1.00 H new ATOM 155 N TRP A 967 63.076 -14.388 5.273 1.00 1.00 N ATOM 156 CA TRP A 967 62.890 -13.198 6.113 1.00 1.00 C ATOM 157 C TRP A 967 64.030 -12.198 5.963 1.00 1.00 C ATOM 158 O TRP A 967 63.795 -11.014 5.721 1.00 1.00 O ATOM 159 CB TRP A 967 62.826 -13.590 7.590 1.00 1.00 C ATOM 160 CG TRP A 967 63.055 -15.054 7.753 1.00 1.00 C ATOM 161 CD1 TRP A 967 64.163 -15.587 8.318 1.00 1.00 C ATOM 162 CD2 TRP A 967 62.209 -16.176 7.372 1.00 1.00 C ATOM 163 NE1 TRP A 967 64.053 -16.961 8.315 1.00 1.00 N ATOM 164 CE2 TRP A 967 62.865 -17.377 7.740 1.00 1.00 C ATOM 165 CE3 TRP A 967 60.951 -16.272 6.752 1.00 1.00 C ATOM 166 CZ2 TRP A 967 62.292 -18.626 7.500 1.00 1.00 C ATOM 167 CZ3 TRP A 967 60.371 -17.528 6.509 1.00 1.00 C ATOM 168 CH2 TRP A 967 61.040 -18.703 6.883 1.00 1.00 C ATOM 0 H TRP A 967 63.309 -15.243 5.779 1.00 1.00 H new ATOM 0 HA TRP A 967 61.958 -12.739 5.783 1.00 1.00 H new ATOM 0 HB2 TRP A 967 63.576 -13.034 8.153 1.00 1.00 H new ATOM 0 HB3 TRP A 967 61.854 -13.320 8.002 1.00 1.00 H new ATOM 0 HD1 TRP A 967 64.999 -15.026 8.709 1.00 1.00 H new ATOM 0 HE1 TRP A 967 64.760 -17.593 8.690 1.00 1.00 H new ATOM 0 HE3 TRP A 967 60.427 -15.374 6.461 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 62.812 -19.527 7.789 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 59.404 -17.590 6.031 1.00 1.00 H new ATOM 0 HH2 TRP A 967 60.588 -19.666 6.694 1.00 1.00 H new ATOM 179 N TRP A 968 65.256 -12.654 6.194 1.00 1.00 N ATOM 180 CA TRP A 968 66.403 -11.758 6.168 1.00 1.00 C ATOM 181 C TRP A 968 66.532 -11.042 4.829 1.00 1.00 C ATOM 182 O TRP A 968 66.821 -9.845 4.810 1.00 1.00 O ATOM 183 CB TRP A 968 67.689 -12.530 6.475 1.00 1.00 C ATOM 184 CG TRP A 968 67.614 -13.076 7.869 1.00 1.00 C ATOM 185 CD1 TRP A 968 67.469 -14.384 8.190 1.00 1.00 C ATOM 186 CD2 TRP A 968 67.655 -12.350 9.132 1.00 1.00 C ATOM 187 NE1 TRP A 968 67.426 -14.508 9.565 1.00 1.00 N ATOM 188 CE2 TRP A 968 67.538 -13.282 10.191 1.00 1.00 C ATOM 189 CE3 TRP A 968 67.785 -10.990 9.457 1.00 1.00 C ATOM 190 CZ2 TRP A 968 67.550 -12.877 11.526 1.00 1.00 C ATOM 191 CZ3 TRP A 968 67.796 -10.578 10.799 1.00 1.00 C ATOM 192 CH2 TRP A 968 67.680 -11.519 11.832 1.00 1.00 C ATOM 0 H TRP A 968 65.479 -13.628 6.399 1.00 1.00 H new ATOM 0 HA TRP A 968 66.244 -11.002 6.937 1.00 1.00 H new ATOM 0 HB2 TRP A 968 67.820 -13.342 5.760 1.00 1.00 H new ATOM 0 HB3 TRP A 968 68.554 -11.874 6.374 1.00 1.00 H new ATOM 0 HD1 TRP A 968 67.398 -15.199 7.484 1.00 1.00 H new ATOM 0 HE1 TRP A 968 67.324 -15.395 10.057 1.00 1.00 H new ATOM 0 HE3 TRP A 968 67.877 -10.257 8.670 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 67.460 -13.607 12.317 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 67.894 -9.529 11.037 1.00 1.00 H new ATOM 0 HH2 TRP A 968 67.691 -11.195 12.862 1.00 1.00 H new ATOM 203 N VAL A 969 66.292 -11.727 3.714 1.00 1.00 N ATOM 204 CA VAL A 969 66.378 -11.050 2.423 1.00 1.00 C ATOM 205 C VAL A 969 65.304 -9.968 2.324 1.00 1.00 C ATOM 206 O VAL A 969 65.565 -8.841 1.906 1.00 1.00 O ATOM 207 CB VAL A 969 66.204 -12.058 1.288 1.00 1.00 C ATOM 208 CG1 VAL A 969 66.068 -11.312 -0.040 1.00 1.00 C ATOM 209 CG2 VAL A 969 67.428 -12.974 1.233 1.00 1.00 C ATOM 0 H VAL A 969 66.045 -12.716 3.675 1.00 1.00 H new ATOM 0 HA VAL A 969 67.360 -10.585 2.337 1.00 1.00 H new ATOM 0 HB VAL A 969 65.308 -12.654 1.463 1.00 1.00 H new ATOM 0 HG11 VAL A 969 65.944 -12.031 -0.850 1.00 1.00 H new ATOM 0 HG12 VAL A 969 65.199 -10.655 -0.001 1.00 1.00 H new ATOM 0 HG13 VAL A 969 66.964 -10.717 -0.217 1.00 1.00 H new ATOM 0 HG21 VAL A 969 67.307 -13.695 0.424 1.00 1.00 H new ATOM 0 HG22 VAL A 969 68.322 -12.376 1.056 1.00 1.00 H new ATOM 0 HG23 VAL A 969 67.528 -13.505 2.180 1.00 1.00 H new ATOM 219 N LEU A 970 64.087 -10.344 2.713 1.00 1.00 N ATOM 220 CA LEU A 970 62.951 -9.427 2.671 1.00 1.00 C ATOM 221 C LEU A 970 63.176 -8.238 3.605 1.00 1.00 C ATOM 222 O LEU A 970 62.895 -7.097 3.246 1.00 1.00 O ATOM 223 CB LEU A 970 61.673 -10.175 3.078 1.00 1.00 C ATOM 224 CG LEU A 970 60.466 -9.224 3.066 1.00 1.00 C ATOM 225 CD1 LEU A 970 60.311 -8.594 1.681 1.00 1.00 C ATOM 226 CD2 LEU A 970 59.201 -10.016 3.402 1.00 1.00 C ATOM 0 H LEU A 970 63.863 -11.277 3.060 1.00 1.00 H new ATOM 0 HA LEU A 970 62.847 -9.048 1.654 1.00 1.00 H new ATOM 0 HB2 LEU A 970 61.497 -11.005 2.393 1.00 1.00 H new ATOM 0 HB3 LEU A 970 61.796 -10.603 4.073 1.00 1.00 H new ATOM 0 HG LEU A 970 60.621 -8.436 3.803 1.00 1.00 H new ATOM 0 HD11 LEU A 970 59.453 -7.921 1.681 1.00 1.00 H new ATOM 0 HD12 LEU A 970 61.212 -8.033 1.434 1.00 1.00 H new ATOM 0 HD13 LEU A 970 60.157 -9.378 0.940 1.00 1.00 H new ATOM 0 HD21 LEU A 970 58.340 -9.347 3.395 1.00 1.00 H new ATOM 0 HD22 LEU A 970 59.056 -10.802 2.660 1.00 1.00 H new ATOM 0 HD23 LEU A 970 59.304 -10.464 4.390 1.00 1.00 H new ATOM 238 N VAL A 971 63.676 -8.508 4.805 1.00 1.00 N ATOM 239 CA VAL A 971 63.916 -7.451 5.785 1.00 1.00 C ATOM 240 C VAL A 971 64.952 -6.456 5.265 1.00 1.00 C ATOM 241 O VAL A 971 64.779 -5.244 5.400 1.00 1.00 O ATOM 242 CB VAL A 971 64.404 -8.059 7.102 1.00 1.00 C ATOM 243 CG1 VAL A 971 64.797 -6.939 8.069 1.00 1.00 C ATOM 244 CG2 VAL A 971 63.284 -8.896 7.726 1.00 1.00 C ATOM 0 H VAL A 971 63.923 -9.445 5.124 1.00 1.00 H new ATOM 0 HA VAL A 971 62.978 -6.922 5.955 1.00 1.00 H new ATOM 0 HB VAL A 971 65.269 -8.693 6.907 1.00 1.00 H new ATOM 0 HG11 VAL A 971 65.144 -7.373 9.007 1.00 1.00 H new ATOM 0 HG12 VAL A 971 65.595 -6.341 7.628 1.00 1.00 H new ATOM 0 HG13 VAL A 971 63.932 -6.304 8.262 1.00 1.00 H new ATOM 0 HG21 VAL A 971 63.632 -9.329 8.664 1.00 1.00 H new ATOM 0 HG22 VAL A 971 62.419 -8.261 7.918 1.00 1.00 H new ATOM 0 HG23 VAL A 971 63.002 -9.695 7.041 1.00 1.00 H new ATOM 254 N GLY A 972 66.028 -6.965 4.685 1.00 1.00 N ATOM 255 CA GLY A 972 67.072 -6.085 4.171 1.00 1.00 C ATOM 256 C GLY A 972 66.521 -5.135 3.116 1.00 1.00 C ATOM 257 O GLY A 972 66.921 -3.972 3.046 1.00 1.00 O ATOM 0 H GLY A 972 66.202 -7.962 4.559 1.00 1.00 H new ATOM 0 HA2 GLY A 972 67.504 -5.511 4.991 1.00 1.00 H new ATOM 0 HA3 GLY A 972 67.876 -6.682 3.742 1.00 1.00 H new ATOM 261 N VAL A 973 65.617 -5.635 2.289 1.00 1.00 N ATOM 262 CA VAL A 973 65.039 -4.815 1.236 1.00 1.00 C ATOM 263 C VAL A 973 64.282 -3.622 1.820 1.00 1.00 C ATOM 264 O VAL A 973 64.439 -2.501 1.348 1.00 1.00 O ATOM 265 CB VAL A 973 64.089 -5.657 0.387 1.00 1.00 C ATOM 266 CG1 VAL A 973 63.324 -4.754 -0.583 1.00 1.00 C ATOM 267 CG2 VAL A 973 64.898 -6.684 -0.407 1.00 1.00 C ATOM 0 H VAL A 973 65.270 -6.594 2.325 1.00 1.00 H new ATOM 0 HA VAL A 973 65.851 -4.437 0.615 1.00 1.00 H new ATOM 0 HB VAL A 973 63.380 -6.169 1.037 1.00 1.00 H new ATOM 0 HG11 VAL A 973 62.647 -5.359 -1.187 1.00 1.00 H new ATOM 0 HG12 VAL A 973 62.749 -4.019 -0.019 1.00 1.00 H new ATOM 0 HG13 VAL A 973 64.030 -4.239 -1.235 1.00 1.00 H new ATOM 0 HG21 VAL A 973 64.224 -7.287 -1.015 1.00 1.00 H new ATOM 0 HG22 VAL A 973 65.606 -6.167 -1.055 1.00 1.00 H new ATOM 0 HG23 VAL A 973 65.442 -7.330 0.282 1.00 1.00 H new ATOM 277 N LEU A 974 63.454 -3.861 2.837 1.00 1.00 N ATOM 278 CA LEU A 974 62.685 -2.775 3.448 1.00 1.00 C ATOM 279 C LEU A 974 63.576 -1.722 4.104 1.00 1.00 C ATOM 280 O LEU A 974 63.336 -0.523 3.966 1.00 1.00 O ATOM 281 CB LEU A 974 61.694 -3.318 4.487 1.00 1.00 C ATOM 282 CG LEU A 974 60.386 -3.766 3.815 1.00 1.00 C ATOM 283 CD1 LEU A 974 60.630 -4.946 2.876 1.00 1.00 C ATOM 284 CD2 LEU A 974 59.382 -4.185 4.894 1.00 1.00 C ATOM 0 H LEU A 974 63.299 -4.781 3.250 1.00 1.00 H new ATOM 0 HA LEU A 974 62.139 -2.296 2.635 1.00 1.00 H new ATOM 0 HB2 LEU A 974 62.141 -4.158 5.018 1.00 1.00 H new ATOM 0 HB3 LEU A 974 61.481 -2.549 5.229 1.00 1.00 H new ATOM 0 HG LEU A 974 59.993 -2.932 3.233 1.00 1.00 H new ATOM 0 HD11 LEU A 974 59.689 -5.244 2.413 1.00 1.00 H new ATOM 0 HD12 LEU A 974 61.339 -4.654 2.101 1.00 1.00 H new ATOM 0 HD13 LEU A 974 61.037 -5.784 3.443 1.00 1.00 H new ATOM 0 HD21 LEU A 974 58.453 -4.504 4.422 1.00 1.00 H new ATOM 0 HD22 LEU A 974 59.795 -5.010 5.475 1.00 1.00 H new ATOM 0 HD23 LEU A 974 59.183 -3.340 5.554 1.00 1.00 H new ATOM 296 N GLY A 975 64.605 -2.175 4.826 1.00 1.00 N ATOM 297 CA GLY A 975 65.509 -1.249 5.511 1.00 1.00 C ATOM 298 C GLY A 975 66.298 -0.395 4.523 1.00 1.00 C ATOM 299 O GLY A 975 66.412 0.822 4.689 1.00 1.00 O ATOM 0 H GLY A 975 64.830 -3.162 4.950 1.00 1.00 H new ATOM 0 HA2 GLY A 975 64.934 -0.602 6.173 1.00 1.00 H new ATOM 0 HA3 GLY A 975 66.200 -1.812 6.138 1.00 1.00 H new ATOM 303 N GLY A 976 66.826 -1.031 3.492 1.00 1.00 N ATOM 304 CA GLY A 976 67.583 -0.305 2.481 1.00 1.00 C ATOM 305 C GLY A 976 66.696 0.737 1.774 1.00 1.00 C ATOM 306 O GLY A 976 67.120 1.874 1.548 1.00 1.00 O ATOM 0 H GLY A 976 66.748 -2.035 3.331 1.00 1.00 H new ATOM 0 HA2 GLY A 976 68.435 0.192 2.946 1.00 1.00 H new ATOM 0 HA3 GLY A 976 67.983 -1.005 1.748 1.00 1.00 H new ATOM 310 N LEU A 977 65.463 0.348 1.437 1.00 1.00 N ATOM 311 CA LEU A 977 64.532 1.270 0.767 1.00 1.00 C ATOM 312 C LEU A 977 64.215 2.467 1.669 1.00 1.00 C ATOM 313 O LEU A 977 64.172 3.603 1.196 1.00 1.00 O ATOM 314 CB LEU A 977 63.235 0.531 0.400 1.00 1.00 C ATOM 315 CG LEU A 977 62.263 1.474 -0.311 1.00 1.00 C ATOM 316 CD1 LEU A 977 62.914 2.064 -1.573 1.00 1.00 C ATOM 317 CD2 LEU A 977 61.017 0.689 -0.726 1.00 1.00 C ATOM 0 H LEU A 977 65.087 -0.584 1.612 1.00 1.00 H new ATOM 0 HA LEU A 977 65.005 1.638 -0.143 1.00 1.00 H new ATOM 0 HB2 LEU A 977 63.463 -0.318 -0.244 1.00 1.00 H new ATOM 0 HB3 LEU A 977 62.770 0.132 1.301 1.00 1.00 H new ATOM 0 HG LEU A 977 61.998 2.283 0.369 1.00 1.00 H new ATOM 0 HD11 LEU A 977 62.209 2.733 -2.067 1.00 1.00 H new ATOM 0 HD12 LEU A 977 63.809 2.621 -1.294 1.00 1.00 H new ATOM 0 HD13 LEU A 977 63.186 1.257 -2.253 1.00 1.00 H new ATOM 0 HD21 LEU A 977 60.320 1.355 -1.234 1.00 1.00 H new ATOM 0 HD22 LEU A 977 61.303 -0.118 -1.400 1.00 1.00 H new ATOM 0 HD23 LEU A 977 60.539 0.270 0.160 1.00 1.00 H new ATOM 329 N LEU A 978 64.006 2.222 2.957 1.00 1.00 N ATOM 330 CA LEU A 978 63.704 3.331 3.870 1.00 1.00 C ATOM 331 C LEU A 978 64.879 4.320 3.926 1.00 1.00 C ATOM 332 O LEU A 978 64.680 5.541 3.919 1.00 1.00 O ATOM 333 CB LEU A 978 63.421 2.800 5.279 1.00 1.00 C ATOM 334 CG LEU A 978 62.081 2.051 5.306 1.00 1.00 C ATOM 335 CD1 LEU A 978 61.939 1.309 6.641 1.00 1.00 C ATOM 336 CD2 LEU A 978 60.920 3.045 5.150 1.00 1.00 C ATOM 0 H LEU A 978 64.037 1.298 3.388 1.00 1.00 H new ATOM 0 HA LEU A 978 62.820 3.847 3.494 1.00 1.00 H new ATOM 0 HB2 LEU A 978 64.225 2.133 5.592 1.00 1.00 H new ATOM 0 HB3 LEU A 978 63.398 3.627 5.989 1.00 1.00 H new ATOM 0 HG LEU A 978 62.054 1.337 4.483 1.00 1.00 H new ATOM 0 HD11 LEU A 978 60.988 0.777 6.662 1.00 1.00 H new ATOM 0 HD12 LEU A 978 62.756 0.596 6.750 1.00 1.00 H new ATOM 0 HD13 LEU A 978 61.971 2.026 7.461 1.00 1.00 H new ATOM 0 HD21 LEU A 978 59.973 2.505 5.170 1.00 1.00 H new ATOM 0 HD22 LEU A 978 60.945 3.765 5.968 1.00 1.00 H new ATOM 0 HD23 LEU A 978 61.017 3.572 4.201 1.00 1.00 H new ATOM 348 N LEU A 979 66.096 3.806 3.984 1.00 1.00 N ATOM 349 CA LEU A 979 67.246 4.718 4.050 1.00 1.00 C ATOM 350 C LEU A 979 67.258 5.614 2.783 1.00 1.00 C ATOM 351 O LEU A 979 67.543 6.830 2.847 1.00 1.00 O ATOM 352 CB LEU A 979 68.546 3.906 4.116 1.00 1.00 C ATOM 353 CG LEU A 979 68.633 3.158 5.450 1.00 1.00 C ATOM 354 CD1 LEU A 979 69.843 2.216 5.426 1.00 1.00 C ATOM 355 CD2 LEU A 979 68.774 4.161 6.602 1.00 1.00 C ATOM 0 H LEU A 979 66.318 2.811 3.987 1.00 1.00 H new ATOM 0 HA LEU A 979 67.167 5.341 4.941 1.00 1.00 H new ATOM 0 HB2 LEU A 979 68.583 3.196 3.289 1.00 1.00 H new ATOM 0 HB3 LEU A 979 69.404 4.569 4.005 1.00 1.00 H new ATOM 0 HG LEU A 979 67.724 2.576 5.599 1.00 1.00 H new ATOM 0 HD11 LEU A 979 69.907 1.682 6.374 1.00 1.00 H new ATOM 0 HD12 LEU A 979 69.730 1.499 4.613 1.00 1.00 H new ATOM 0 HD13 LEU A 979 70.753 2.796 5.274 1.00 1.00 H new ATOM 0 HD21 LEU A 979 68.835 3.623 7.548 1.00 1.00 H new ATOM 0 HD22 LEU A 979 69.679 4.752 6.461 1.00 1.00 H new ATOM 0 HD23 LEU A 979 67.908 4.822 6.617 1.00 1.00 H new ATOM 367 N LEU A 980 66.951 5.027 1.647 1.00 1.00 N ATOM 368 CA LEU A 980 66.937 5.820 0.390 1.00 1.00 C ATOM 369 C LEU A 980 65.884 6.940 0.425 1.00 1.00 C ATOM 370 O LEU A 980 66.136 8.060 -0.049 1.00 1.00 O ATOM 371 CB LEU A 980 66.644 4.933 -0.827 1.00 1.00 C ATOM 372 CG LEU A 980 67.837 4.019 -1.104 1.00 1.00 C ATOM 373 CD1 LEU A 980 67.459 3.021 -2.199 1.00 1.00 C ATOM 374 CD2 LEU A 980 69.056 4.846 -1.556 1.00 1.00 C ATOM 0 H LEU A 980 66.712 4.041 1.544 1.00 1.00 H new ATOM 0 HA LEU A 980 67.931 6.260 0.304 1.00 1.00 H new ATOM 0 HB2 LEU A 980 65.751 4.335 -0.645 1.00 1.00 H new ATOM 0 HB3 LEU A 980 66.440 5.554 -1.700 1.00 1.00 H new ATOM 0 HG LEU A 980 68.098 3.487 -0.189 1.00 1.00 H new ATOM 0 HD11 LEU A 980 68.306 2.365 -2.402 1.00 1.00 H new ATOM 0 HD12 LEU A 980 66.609 2.424 -1.869 1.00 1.00 H new ATOM 0 HD13 LEU A 980 67.193 3.561 -3.107 1.00 1.00 H new ATOM 0 HD21 LEU A 980 69.897 4.179 -1.749 1.00 1.00 H new ATOM 0 HD22 LEU A 980 68.808 5.391 -2.467 1.00 1.00 H new ATOM 0 HD23 LEU A 980 69.327 5.554 -0.772 1.00 1.00 H new ATOM 386 N THR A 981 64.705 6.631 0.954 1.00 1.00 N ATOM 387 CA THR A 981 63.627 7.624 1.007 1.00 1.00 C ATOM 388 C THR A 981 64.014 8.833 1.856 1.00 1.00 C ATOM 389 O THR A 981 63.794 9.978 1.456 1.00 1.00 O ATOM 390 CB THR A 981 62.351 6.981 1.559 1.00 1.00 C ATOM 391 OG1 THR A 981 62.103 5.766 0.862 1.00 1.00 O ATOM 392 CG2 THR A 981 61.174 7.945 1.377 1.00 1.00 C ATOM 0 H THR A 981 64.469 5.720 1.347 1.00 1.00 H new ATOM 0 HA THR A 981 63.448 7.976 -0.009 1.00 1.00 H new ATOM 0 HB THR A 981 62.471 6.768 2.621 1.00 1.00 H new ATOM 0 HG1 THR A 981 61.288 5.349 1.212 1.00 1.00 H new ATOM 0 HG21 THR A 981 60.266 7.488 1.770 1.00 1.00 H new ATOM 0 HG22 THR A 981 61.376 8.871 1.915 1.00 1.00 H new ATOM 0 HG23 THR A 981 61.042 8.162 0.317 1.00 1.00 H new ATOM 400 N ILE A 982 64.558 8.598 3.031 1.00 1.00 N ATOM 401 CA ILE A 982 64.918 9.718 3.889 1.00 1.00 C ATOM 402 C ILE A 982 66.026 10.579 3.270 1.00 1.00 C ATOM 403 O ILE A 982 65.960 11.807 3.330 1.00 1.00 O ATOM 404 CB ILE A 982 65.315 9.228 5.283 1.00 1.00 C ATOM 405 CG1 ILE A 982 66.487 8.251 5.192 1.00 1.00 C ATOM 406 CG2 ILE A 982 64.122 8.531 5.943 1.00 1.00 C ATOM 407 CD1 ILE A 982 66.956 7.904 6.603 1.00 1.00 C ATOM 0 H ILE A 982 64.758 7.673 3.410 1.00 1.00 H new ATOM 0 HA ILE A 982 64.036 10.352 3.987 1.00 1.00 H new ATOM 0 HB ILE A 982 65.617 10.087 5.882 1.00 1.00 H new ATOM 0 HG12 ILE A 982 66.184 7.347 4.663 1.00 1.00 H new ATOM 0 HG13 ILE A 982 67.304 8.695 4.622 1.00 1.00 H new ATOM 0 HG21 ILE A 982 64.408 8.183 6.936 1.00 1.00 H new ATOM 0 HG22 ILE A 982 63.293 9.233 6.029 1.00 1.00 H new ATOM 0 HG23 ILE A 982 63.815 7.680 5.335 1.00 1.00 H new ATOM 0 HD11 ILE A 982 67.792 7.207 6.547 1.00 1.00 H new ATOM 0 HD12 ILE A 982 67.274 8.812 7.114 1.00 1.00 H new ATOM 0 HD13 ILE A 982 66.137 7.444 7.156 1.00 1.00 H new ATOM 419 N LEU A 983 67.039 9.947 2.675 1.00 1.00 N ATOM 420 CA LEU A 983 68.131 10.705 2.062 1.00 1.00 C ATOM 421 C LEU A 983 67.615 11.562 0.908 1.00 1.00 C ATOM 422 O LEU A 983 68.018 12.718 0.761 1.00 1.00 O ATOM 423 CB LEU A 983 69.206 9.751 1.532 1.00 1.00 C ATOM 424 CG LEU A 983 69.945 9.084 2.698 1.00 1.00 C ATOM 425 CD1 LEU A 983 70.866 7.991 2.155 1.00 1.00 C ATOM 426 CD2 LEU A 983 70.781 10.118 3.461 1.00 1.00 C ATOM 0 H LEU A 983 67.127 8.933 2.605 1.00 1.00 H new ATOM 0 HA LEU A 983 68.559 11.354 2.826 1.00 1.00 H new ATOM 0 HB2 LEU A 983 68.748 8.990 0.900 1.00 1.00 H new ATOM 0 HB3 LEU A 983 69.913 10.299 0.909 1.00 1.00 H new ATOM 0 HG LEU A 983 69.212 8.650 3.378 1.00 1.00 H new ATOM 0 HD11 LEU A 983 71.393 7.515 2.982 1.00 1.00 H new ATOM 0 HD12 LEU A 983 70.273 7.245 1.625 1.00 1.00 H new ATOM 0 HD13 LEU A 983 71.590 8.432 1.470 1.00 1.00 H new ATOM 0 HD21 LEU A 983 71.300 9.629 4.286 1.00 1.00 H new ATOM 0 HD22 LEU A 983 71.512 10.564 2.786 1.00 1.00 H new ATOM 0 HD23 LEU A 983 70.127 10.896 3.854 1.00 1.00 H new ATOM 438 N VAL A 984 66.743 10.994 0.085 1.00 1.00 N ATOM 439 CA VAL A 984 66.204 11.720 -1.060 1.00 1.00 C ATOM 440 C VAL A 984 65.414 12.946 -0.613 1.00 1.00 C ATOM 441 O VAL A 984 65.575 14.033 -1.170 1.00 1.00 O ATOM 442 CB VAL A 984 65.295 10.803 -1.879 1.00 1.00 C ATOM 443 CG1 VAL A 984 64.570 11.620 -2.948 1.00 1.00 C ATOM 444 CG2 VAL A 984 66.138 9.720 -2.558 1.00 1.00 C ATOM 0 H VAL A 984 66.395 10.040 0.186 1.00 1.00 H new ATOM 0 HA VAL A 984 67.043 12.052 -1.672 1.00 1.00 H new ATOM 0 HB VAL A 984 64.564 10.338 -1.217 1.00 1.00 H new ATOM 0 HG11 VAL A 984 63.923 10.964 -3.530 1.00 1.00 H new ATOM 0 HG12 VAL A 984 63.968 12.392 -2.470 1.00 1.00 H new ATOM 0 HG13 VAL A 984 65.302 12.087 -3.608 1.00 1.00 H new ATOM 0 HG21 VAL A 984 65.489 9.067 -3.142 1.00 1.00 H new ATOM 0 HG22 VAL A 984 66.869 10.188 -3.217 1.00 1.00 H new ATOM 0 HG23 VAL A 984 66.656 9.133 -1.799 1.00 1.00 H new ATOM 454 N LEU A 985 64.565 12.766 0.391 1.00 1.00 N ATOM 455 CA LEU A 985 63.759 13.872 0.899 1.00 1.00 C ATOM 456 C LEU A 985 64.657 14.956 1.484 1.00 1.00 C ATOM 457 O LEU A 985 64.415 16.149 1.279 1.00 1.00 O ATOM 458 CB LEU A 985 62.795 13.364 1.973 1.00 1.00 C ATOM 459 CG LEU A 985 61.727 12.475 1.327 1.00 1.00 C ATOM 460 CD1 LEU A 985 60.906 11.794 2.421 1.00 1.00 C ATOM 461 CD2 LEU A 985 60.795 13.314 0.439 1.00 1.00 C ATOM 0 H LEU A 985 64.416 11.876 0.866 1.00 1.00 H new ATOM 0 HA LEU A 985 63.187 14.296 0.073 1.00 1.00 H new ATOM 0 HB2 LEU A 985 63.342 12.801 2.730 1.00 1.00 H new ATOM 0 HB3 LEU A 985 62.324 14.206 2.480 1.00 1.00 H new ATOM 0 HG LEU A 985 62.220 11.724 0.710 1.00 1.00 H new ATOM 0 HD11 LEU A 985 60.145 11.161 1.964 1.00 1.00 H new ATOM 0 HD12 LEU A 985 61.562 11.183 3.041 1.00 1.00 H new ATOM 0 HD13 LEU A 985 60.424 12.552 3.039 1.00 1.00 H new ATOM 0 HD21 LEU A 985 60.043 12.667 -0.012 1.00 1.00 H new ATOM 0 HD22 LEU A 985 60.303 14.075 1.045 1.00 1.00 H new ATOM 0 HD23 LEU A 985 61.377 13.796 -0.347 1.00 1.00 H new ATOM 473 N ALA A 986 65.681 14.552 2.226 1.00 1.00 N ATOM 474 CA ALA A 986 66.579 15.525 2.844 1.00 1.00 C ATOM 475 C ALA A 986 67.308 16.368 1.797 1.00 1.00 C ATOM 476 O ALA A 986 67.443 17.581 1.950 1.00 1.00 O ATOM 477 CB ALA A 986 67.603 14.800 3.716 1.00 1.00 C ATOM 0 H ALA A 986 65.910 13.576 2.413 1.00 1.00 H new ATOM 0 HA ALA A 986 65.974 16.195 3.455 1.00 1.00 H new ATOM 0 HB1 ALA A 986 68.271 15.529 4.175 1.00 1.00 H new ATOM 0 HB2 ALA A 986 67.086 14.240 4.495 1.00 1.00 H new ATOM 0 HB3 ALA A 986 68.184 14.113 3.100 1.00 1.00 H new ATOM 483 N MET A 987 67.780 15.722 0.739 1.00 1.00 N ATOM 484 CA MET A 987 68.499 16.431 -0.317 1.00 1.00 C ATOM 485 C MET A 987 67.584 17.415 -1.046 1.00 1.00 C ATOM 486 O MET A 987 67.977 18.549 -1.334 1.00 1.00 O ATOM 487 CB MET A 987 69.083 15.430 -1.308 1.00 1.00 C ATOM 488 CG MET A 987 70.292 14.738 -0.673 1.00 1.00 C ATOM 489 SD MET A 987 70.946 13.478 -1.803 1.00 1.00 S ATOM 490 CE MET A 987 71.624 14.599 -3.055 1.00 1.00 C ATOM 0 H MET A 987 67.681 14.718 0.587 1.00 1.00 H new ATOM 0 HA MET A 987 69.307 16.999 0.144 1.00 1.00 H new ATOM 0 HB2 MET A 987 68.330 14.692 -1.584 1.00 1.00 H new ATOM 0 HB3 MET A 987 69.381 15.939 -2.225 1.00 1.00 H new ATOM 0 HG2 MET A 987 71.065 15.472 -0.447 1.00 1.00 H new ATOM 0 HG3 MET A 987 70.004 14.277 0.272 1.00 1.00 H new ATOM 0 HE1 MET A 987 72.128 14.019 -3.828 1.00 1.00 H new ATOM 0 HE2 MET A 987 70.815 15.176 -3.503 1.00 1.00 H new ATOM 0 HE3 MET A 987 72.338 15.278 -2.588 1.00 1.00 H new ATOM 500 N TRP A 988 66.359 16.982 -1.331 1.00 1.00 N ATOM 501 CA TRP A 988 65.402 17.846 -2.017 1.00 1.00 C ATOM 502 C TRP A 988 65.104 19.066 -1.153 1.00 1.00 C ATOM 503 O TRP A 988 65.019 20.184 -1.657 1.00 1.00 O ATOM 504 CB TRP A 988 64.109 17.074 -2.292 1.00 1.00 C ATOM 505 CG TRP A 988 63.019 18.018 -2.695 1.00 1.00 C ATOM 506 CD1 TRP A 988 63.194 19.172 -3.382 1.00 1.00 C ATOM 507 CD2 TRP A 988 61.591 17.911 -2.435 1.00 1.00 C ATOM 508 NE1 TRP A 988 61.961 19.773 -3.564 1.00 1.00 N ATOM 509 CE2 TRP A 988 60.942 19.035 -2.996 1.00 1.00 C ATOM 510 CE3 TRP A 988 60.804 16.954 -1.774 1.00 1.00 C ATOM 511 CZ2 TRP A 988 59.559 19.203 -2.903 1.00 1.00 C ATOM 512 CZ3 TRP A 988 59.414 17.118 -1.677 1.00 1.00 C ATOM 513 CH2 TRP A 988 58.792 18.241 -2.241 1.00 1.00 C ATOM 0 H TRP A 988 66.009 16.052 -1.102 1.00 1.00 H new ATOM 0 HA TRP A 988 65.828 18.173 -2.965 1.00 1.00 H new ATOM 0 HB2 TRP A 988 64.275 16.341 -3.081 1.00 1.00 H new ATOM 0 HB3 TRP A 988 63.810 16.521 -1.401 1.00 1.00 H new ATOM 0 HD1 TRP A 988 64.140 19.559 -3.730 1.00 1.00 H new ATOM 0 HE1 TRP A 988 61.822 20.654 -4.058 1.00 1.00 H new ATOM 0 HE3 TRP A 988 61.273 16.085 -1.337 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 59.086 20.070 -3.340 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 58.820 16.375 -1.165 1.00 1.00 H new ATOM 0 HH2 TRP A 988 57.722 18.362 -2.164 1.00 1.00 H new ATOM 524 N LYS A 989 64.929 18.860 0.142 1.00 1.00 N ATOM 525 CA LYS A 989 64.621 19.965 1.039 1.00 1.00 C ATOM 526 C LYS A 989 65.750 20.989 1.051 1.00 1.00 C ATOM 527 O LYS A 989 65.520 22.189 1.199 1.00 1.00 O ATOM 528 CB LYS A 989 64.394 19.434 2.457 1.00 1.00 C ATOM 529 CG LYS A 989 63.947 20.579 3.369 1.00 1.00 C ATOM 530 CD LYS A 989 63.654 20.038 4.772 1.00 1.00 C ATOM 531 CE LYS A 989 63.192 21.184 5.671 1.00 1.00 C ATOM 532 NZ LYS A 989 62.887 20.659 7.032 1.00 1.00 N ATOM 0 H LYS A 989 64.994 17.948 0.594 1.00 1.00 H new ATOM 0 HA LYS A 989 63.715 20.454 0.681 1.00 1.00 H new ATOM 0 HB2 LYS A 989 63.638 18.649 2.445 1.00 1.00 H new ATOM 0 HB3 LYS A 989 65.312 18.988 2.840 1.00 1.00 H new ATOM 0 HG2 LYS A 989 64.724 21.342 3.418 1.00 1.00 H new ATOM 0 HG3 LYS A 989 63.057 21.056 2.960 1.00 1.00 H new ATOM 0 HD2 LYS A 989 62.885 19.267 4.723 1.00 1.00 H new ATOM 0 HD3 LYS A 989 64.547 19.572 5.188 1.00 1.00 H new ATOM 0 HE2 LYS A 989 63.967 21.948 5.730 1.00 1.00 H new ATOM 0 HE3 LYS A 989 62.307 21.659 5.247 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 62.573 21.440 7.643 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 62.134 19.945 6.968 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 63.741 20.225 7.436 1.00 1.00 H new ATOM 546 N VAL A 990 66.970 20.494 0.897 1.00 1.00 N ATOM 547 CA VAL A 990 68.136 21.360 0.896 1.00 1.00 C ATOM 548 C VAL A 990 68.244 22.057 -0.441 1.00 1.00 C ATOM 549 O VAL A 990 69.127 22.889 -0.655 1.00 1.00 O ATOM 550 CB VAL A 990 69.405 20.543 1.156 1.00 1.00 C ATOM 551 CG1 VAL A 990 70.616 21.477 1.224 1.00 1.00 C ATOM 552 CG2 VAL A 990 69.269 19.796 2.486 1.00 1.00 C ATOM 0 H VAL A 990 67.176 19.503 0.772 1.00 1.00 H new ATOM 0 HA VAL A 990 68.028 22.101 1.688 1.00 1.00 H new ATOM 0 HB VAL A 990 69.543 19.828 0.345 1.00 1.00 H new ATOM 0 HG11 VAL A 990 71.517 20.892 1.409 1.00 1.00 H new ATOM 0 HG12 VAL A 990 70.718 22.010 0.279 1.00 1.00 H new ATOM 0 HG13 VAL A 990 70.477 22.195 2.033 1.00 1.00 H new ATOM 0 HG21 VAL A 990 70.172 19.215 2.671 1.00 1.00 H new ATOM 0 HG22 VAL A 990 69.128 20.514 3.294 1.00 1.00 H new ATOM 0 HG23 VAL A 990 68.410 19.127 2.441 1.00 1.00 H new ATOM 562 N GLY A 991 67.336 21.717 -1.343 1.00 1.00 N ATOM 563 CA GLY A 991 67.327 22.312 -2.656 1.00 1.00 C ATOM 564 C GLY A 991 68.487 21.774 -3.460 1.00 1.00 C ATOM 565 O GLY A 991 68.803 22.306 -4.521 1.00 1.00 O ATOM 0 H GLY A 991 66.598 21.031 -1.183 1.00 1.00 H new ATOM 0 HA2 GLY A 991 66.387 22.090 -3.161 1.00 1.00 H new ATOM 0 HA3 GLY A 991 67.398 23.397 -2.576 1.00 1.00 H new ATOM 569 N PHE A 992 69.158 20.751 -2.953 1.00 1.00 N ATOM 570 CA PHE A 992 70.313 20.203 -3.638 1.00 1.00 C ATOM 571 C PHE A 992 69.903 19.812 -5.062 1.00 1.00 C ATOM 572 O PHE A 992 70.572 20.153 -6.037 1.00 1.00 O ATOM 573 CB PHE A 992 70.797 18.966 -2.861 1.00 1.00 C ATOM 574 CG PHE A 992 72.287 18.704 -3.043 1.00 1.00 C ATOM 575 CD1 PHE A 992 72.990 19.127 -4.185 1.00 1.00 C ATOM 576 CD2 PHE A 992 72.973 18.021 -2.028 1.00 1.00 C ATOM 577 CE1 PHE A 992 74.362 18.868 -4.301 1.00 1.00 C ATOM 578 CE2 PHE A 992 74.342 17.763 -2.147 1.00 1.00 C ATOM 579 CZ PHE A 992 75.036 18.186 -3.283 1.00 1.00 C ATOM 0 H PHE A 992 68.923 20.288 -2.075 1.00 1.00 H new ATOM 0 HA PHE A 992 71.119 20.935 -3.690 1.00 1.00 H new ATOM 0 HB2 PHE A 992 70.583 19.101 -1.801 1.00 1.00 H new ATOM 0 HB3 PHE A 992 70.235 18.092 -3.191 1.00 1.00 H new ATOM 0 HD1 PHE A 992 72.472 19.652 -4.974 1.00 1.00 H new ATOM 0 HD2 PHE A 992 72.440 17.692 -1.148 1.00 1.00 H new ATOM 0 HE1 PHE A 992 74.900 19.196 -5.178 1.00 1.00 H new ATOM 0 HE2 PHE A 992 74.863 17.237 -1.361 1.00 1.00 H new ATOM 0 HZ PHE A 992 76.093 17.986 -3.375 1.00 1.00 H new ATOM 589 N PHE A 993 68.755 19.148 -5.185 1.00 1.00 N ATOM 590 CA PHE A 993 68.259 18.776 -6.511 1.00 1.00 C ATOM 591 C PHE A 993 67.598 19.971 -7.188 1.00 1.00 C ATOM 592 O PHE A 993 67.433 19.997 -8.408 1.00 1.00 O ATOM 593 CB PHE A 993 67.253 17.630 -6.419 1.00 1.00 C ATOM 594 CG PHE A 993 67.975 16.334 -6.137 1.00 1.00 C ATOM 595 CD1 PHE A 993 68.838 15.794 -7.099 1.00 1.00 C ATOM 596 CD2 PHE A 993 67.784 15.669 -4.921 1.00 1.00 C ATOM 597 CE1 PHE A 993 69.508 14.593 -6.846 1.00 1.00 C ATOM 598 CE2 PHE A 993 68.454 14.466 -4.669 1.00 1.00 C ATOM 599 CZ PHE A 993 69.316 13.929 -5.630 1.00 1.00 C ATOM 0 H PHE A 993 68.163 18.862 -4.405 1.00 1.00 H new ATOM 0 HA PHE A 993 69.114 18.449 -7.103 1.00 1.00 H new ATOM 0 HB2 PHE A 993 66.529 17.832 -5.630 1.00 1.00 H new ATOM 0 HB3 PHE A 993 66.694 17.550 -7.351 1.00 1.00 H new ATOM 0 HD1 PHE A 993 68.986 16.306 -8.038 1.00 1.00 H new ATOM 0 HD2 PHE A 993 67.120 16.084 -4.177 1.00 1.00 H new ATOM 0 HE1 PHE A 993 70.173 14.178 -7.589 1.00 1.00 H new ATOM 0 HE2 PHE A 993 68.305 13.952 -3.731 1.00 1.00 H new ATOM 0 HZ PHE A 993 69.833 13.002 -5.433 1.00 1.00 H new ATOM 804 N ASP B 692 76.755 -15.796 7.234 1.00 1.00 N ATOM 805 CA ASP B 692 76.015 -15.357 8.410 1.00 1.00 C ATOM 806 C ASP B 692 74.839 -14.481 7.987 1.00 1.00 C ATOM 807 O ASP B 692 74.951 -13.677 7.062 1.00 1.00 O ATOM 808 CB ASP B 692 76.936 -14.563 9.340 1.00 1.00 C ATOM 809 CG ASP B 692 77.817 -15.507 10.156 1.00 1.00 C ATOM 810 OD1 ASP B 692 77.615 -16.708 10.067 1.00 1.00 O ATOM 811 OD2 ASP B 692 78.685 -15.014 10.857 1.00 1.00 O ATOM 0 HA ASP B 692 75.640 -16.234 8.938 1.00 1.00 H new ATOM 0 HB2 ASP B 692 77.561 -13.889 8.754 1.00 1.00 H new ATOM 0 HB3 ASP B 692 76.340 -13.943 10.010 1.00 1.00 H new ATOM 816 N ILE B 693 73.703 -14.675 8.645 1.00 1.00 N ATOM 817 CA ILE B 693 72.494 -13.935 8.306 1.00 1.00 C ATOM 818 C ILE B 693 72.660 -12.432 8.521 1.00 1.00 C ATOM 819 O ILE B 693 72.217 -11.644 7.686 1.00 1.00 O ATOM 820 CB ILE B 693 71.292 -14.473 9.097 1.00 1.00 C ATOM 821 CG1 ILE B 693 71.539 -14.357 10.603 1.00 1.00 C ATOM 822 CG2 ILE B 693 71.067 -15.942 8.738 1.00 1.00 C ATOM 823 CD1 ILE B 693 70.269 -14.751 11.360 1.00 1.00 C ATOM 0 H ILE B 693 73.593 -15.336 9.414 1.00 1.00 H new ATOM 0 HA ILE B 693 72.308 -14.086 7.243 1.00 1.00 H new ATOM 0 HB ILE B 693 70.413 -13.883 8.838 1.00 1.00 H new ATOM 0 HG12 ILE B 693 72.366 -15.003 10.898 1.00 1.00 H new ATOM 0 HG13 ILE B 693 71.825 -13.337 10.858 1.00 1.00 H new ATOM 0 HG21 ILE B 693 70.215 -16.327 9.298 1.00 1.00 H new ATOM 0 HG22 ILE B 693 70.869 -16.029 7.670 1.00 1.00 H new ATOM 0 HG23 ILE B 693 71.957 -16.519 8.990 1.00 1.00 H new ATOM 0 HD11 ILE B 693 70.444 -14.669 12.433 1.00 1.00 H new ATOM 0 HD12 ILE B 693 69.454 -14.087 11.074 1.00 1.00 H new ATOM 0 HD13 ILE B 693 70.003 -15.779 11.114 1.00 1.00 H new ATOM 835 N LEU B 694 73.296 -12.021 9.616 1.00 1.00 N ATOM 836 CA LEU B 694 73.493 -10.595 9.862 1.00 1.00 C ATOM 837 C LEU B 694 74.349 -9.992 8.752 1.00 1.00 C ATOM 838 O LEU B 694 74.067 -8.899 8.263 1.00 1.00 O ATOM 839 CB LEU B 694 74.178 -10.374 11.214 1.00 1.00 C ATOM 840 CG LEU B 694 73.218 -10.736 12.352 1.00 1.00 C ATOM 841 CD1 LEU B 694 73.972 -10.713 13.681 1.00 1.00 C ATOM 842 CD2 LEU B 694 72.055 -9.735 12.408 1.00 1.00 C ATOM 0 H LEU B 694 73.676 -12.640 10.332 1.00 1.00 H new ATOM 0 HA LEU B 694 72.518 -10.107 9.877 1.00 1.00 H new ATOM 0 HB2 LEU B 694 75.079 -10.984 11.279 1.00 1.00 H new ATOM 0 HB3 LEU B 694 74.490 -9.334 11.307 1.00 1.00 H new ATOM 0 HG LEU B 694 72.818 -11.734 12.171 1.00 1.00 H new ATOM 0 HD11 LEU B 694 73.290 -10.970 14.491 1.00 1.00 H new ATOM 0 HD12 LEU B 694 74.787 -11.436 13.650 1.00 1.00 H new ATOM 0 HD13 LEU B 694 74.378 -9.716 13.852 1.00 1.00 H new ATOM 0 HD21 LEU B 694 71.381 -10.005 13.221 1.00 1.00 H new ATOM 0 HD22 LEU B 694 72.446 -8.732 12.579 1.00 1.00 H new ATOM 0 HD23 LEU B 694 71.511 -9.756 11.464 1.00 1.00 H new ATOM 854 N VAL B 695 75.395 -10.712 8.362 1.00 1.00 N ATOM 855 CA VAL B 695 76.293 -10.244 7.309 1.00 1.00 C ATOM 856 C VAL B 695 75.534 -10.097 5.994 1.00 1.00 C ATOM 857 O VAL B 695 75.667 -9.092 5.289 1.00 1.00 O ATOM 858 CB VAL B 695 77.448 -11.230 7.130 1.00 1.00 C ATOM 859 CG1 VAL B 695 78.264 -10.846 5.895 1.00 1.00 C ATOM 860 CG2 VAL B 695 78.349 -11.191 8.368 1.00 1.00 C ATOM 0 H VAL B 695 75.643 -11.619 8.757 1.00 1.00 H new ATOM 0 HA VAL B 695 76.692 -9.272 7.598 1.00 1.00 H new ATOM 0 HB VAL B 695 77.048 -12.236 7.001 1.00 1.00 H new ATOM 0 HG11 VAL B 695 79.087 -11.550 5.769 1.00 1.00 H new ATOM 0 HG12 VAL B 695 77.624 -10.874 5.013 1.00 1.00 H new ATOM 0 HG13 VAL B 695 78.664 -9.840 6.021 1.00 1.00 H new ATOM 0 HG21 VAL B 695 79.173 -11.894 8.241 1.00 1.00 H new ATOM 0 HG22 VAL B 695 78.747 -10.185 8.497 1.00 1.00 H new ATOM 0 HG23 VAL B 695 77.769 -11.467 9.249 1.00 1.00 H new ATOM 870 N VAL B 696 74.721 -11.096 5.678 1.00 1.00 N ATOM 871 CA VAL B 696 73.926 -11.063 4.460 1.00 1.00 C ATOM 872 C VAL B 696 72.945 -9.902 4.521 1.00 1.00 C ATOM 873 O VAL B 696 72.749 -9.186 3.539 1.00 1.00 O ATOM 874 CB VAL B 696 73.159 -12.375 4.295 1.00 1.00 C ATOM 875 CG1 VAL B 696 72.183 -12.253 3.122 1.00 1.00 C ATOM 876 CG2 VAL B 696 74.146 -13.509 4.017 1.00 1.00 C ATOM 0 H VAL B 696 74.596 -11.934 6.245 1.00 1.00 H new ATOM 0 HA VAL B 696 74.592 -10.932 3.607 1.00 1.00 H new ATOM 0 HB VAL B 696 72.605 -12.588 5.209 1.00 1.00 H new ATOM 0 HG11 VAL B 696 71.636 -13.189 3.005 1.00 1.00 H new ATOM 0 HG12 VAL B 696 71.479 -11.444 3.317 1.00 1.00 H new ATOM 0 HG13 VAL B 696 72.737 -12.040 2.208 1.00 1.00 H new ATOM 0 HG21 VAL B 696 73.601 -14.445 3.899 1.00 1.00 H new ATOM 0 HG22 VAL B 696 74.699 -13.294 3.103 1.00 1.00 H new ATOM 0 HG23 VAL B 696 74.843 -13.597 4.851 1.00 1.00 H new ATOM 886 N LEU B 697 72.312 -9.737 5.675 1.00 1.00 N ATOM 887 CA LEU B 697 71.333 -8.679 5.859 1.00 1.00 C ATOM 888 C LEU B 697 71.953 -7.294 5.674 1.00 1.00 C ATOM 889 O LEU B 697 71.373 -6.432 5.012 1.00 1.00 O ATOM 890 CB LEU B 697 70.743 -8.801 7.274 1.00 1.00 C ATOM 891 CG LEU B 697 69.778 -7.647 7.562 1.00 1.00 C ATOM 892 CD1 LEU B 697 68.685 -7.611 6.500 1.00 1.00 C ATOM 893 CD2 LEU B 697 69.138 -7.848 8.936 1.00 1.00 C ATOM 0 H LEU B 697 72.460 -10.323 6.496 1.00 1.00 H new ATOM 0 HA LEU B 697 70.553 -8.790 5.105 1.00 1.00 H new ATOM 0 HB2 LEU B 697 70.220 -9.752 7.374 1.00 1.00 H new ATOM 0 HB3 LEU B 697 71.547 -8.801 8.010 1.00 1.00 H new ATOM 0 HG LEU B 697 70.330 -6.707 7.547 1.00 1.00 H new ATOM 0 HD11 LEU B 697 68.001 -6.788 6.709 1.00 1.00 H new ATOM 0 HD12 LEU B 697 69.136 -7.467 5.518 1.00 1.00 H new ATOM 0 HD13 LEU B 697 68.135 -8.552 6.512 1.00 1.00 H new ATOM 0 HD21 LEU B 697 68.451 -7.027 9.141 1.00 1.00 H new ATOM 0 HD22 LEU B 697 68.591 -8.790 8.948 1.00 1.00 H new ATOM 0 HD23 LEU B 697 69.915 -7.870 9.700 1.00 1.00 H new ATOM 905 N LEU B 698 73.134 -7.088 6.250 1.00 1.00 N ATOM 906 CA LEU B 698 73.821 -5.805 6.129 1.00 1.00 C ATOM 907 C LEU B 698 74.196 -5.530 4.678 1.00 1.00 C ATOM 908 O LEU B 698 74.059 -4.408 4.188 1.00 1.00 O ATOM 909 CB LEU B 698 75.084 -5.805 6.994 1.00 1.00 C ATOM 910 CG LEU B 698 74.692 -5.793 8.476 1.00 1.00 C ATOM 911 CD1 LEU B 698 75.938 -6.017 9.334 1.00 1.00 C ATOM 912 CD2 LEU B 698 74.055 -4.446 8.850 1.00 1.00 C ATOM 0 H LEU B 698 73.632 -7.787 6.801 1.00 1.00 H new ATOM 0 HA LEU B 698 73.146 -5.021 6.471 1.00 1.00 H new ATOM 0 HB2 LEU B 698 75.688 -6.686 6.774 1.00 1.00 H new ATOM 0 HB3 LEU B 698 75.696 -4.933 6.762 1.00 1.00 H new ATOM 0 HG LEU B 698 73.969 -6.589 8.655 1.00 1.00 H new ATOM 0 HD11 LEU B 698 75.660 -6.009 10.388 1.00 1.00 H new ATOM 0 HD12 LEU B 698 76.384 -6.980 9.084 1.00 1.00 H new ATOM 0 HD13 LEU B 698 76.659 -5.223 9.143 1.00 1.00 H new ATOM 0 HD21 LEU B 698 73.782 -4.453 9.905 1.00 1.00 H new ATOM 0 HD22 LEU B 698 74.768 -3.643 8.665 1.00 1.00 H new ATOM 0 HD23 LEU B 698 73.162 -4.285 8.245 1.00 1.00 H new ATOM 924 N SER B 699 74.684 -6.562 4.003 1.00 1.00 N ATOM 925 CA SER B 699 75.095 -6.441 2.613 1.00 1.00 C ATOM 926 C SER B 699 73.924 -6.061 1.705 1.00 1.00 C ATOM 927 O SER B 699 74.086 -5.266 0.782 1.00 1.00 O ATOM 928 CB SER B 699 75.708 -7.765 2.160 1.00 1.00 C ATOM 929 OG SER B 699 74.783 -8.813 2.418 1.00 1.00 O ATOM 0 H SER B 699 74.805 -7.495 4.398 1.00 1.00 H new ATOM 0 HA SER B 699 75.832 -5.642 2.538 1.00 1.00 H new ATOM 0 HB2 SER B 699 75.946 -7.726 1.097 1.00 1.00 H new ATOM 0 HB3 SER B 699 76.643 -7.948 2.690 1.00 1.00 H new ATOM 0 HG SER B 699 74.013 -8.456 2.909 1.00 1.00 H new ATOM 935 N VAL B 700 72.747 -6.626 1.968 1.00 1.00 N ATOM 936 CA VAL B 700 71.567 -6.325 1.150 1.00 1.00 C ATOM 937 C VAL B 700 71.187 -4.850 1.268 1.00 1.00 C ATOM 938 O VAL B 700 70.905 -4.187 0.276 1.00 1.00 O ATOM 939 CB VAL B 700 70.387 -7.193 1.594 1.00 1.00 C ATOM 940 CG1 VAL B 700 69.116 -6.734 0.877 1.00 1.00 C ATOM 941 CG2 VAL B 700 70.673 -8.654 1.240 1.00 1.00 C ATOM 0 H VAL B 700 72.583 -7.285 2.729 1.00 1.00 H new ATOM 0 HA VAL B 700 71.809 -6.542 0.110 1.00 1.00 H new ATOM 0 HB VAL B 700 70.249 -7.098 2.671 1.00 1.00 H new ATOM 0 HG11 VAL B 700 68.276 -7.352 1.194 1.00 1.00 H new ATOM 0 HG12 VAL B 700 68.914 -5.692 1.126 1.00 1.00 H new ATOM 0 HG13 VAL B 700 69.251 -6.830 -0.200 1.00 1.00 H new ATOM 0 HG21 VAL B 700 69.835 -9.275 1.555 1.00 1.00 H new ATOM 0 HG22 VAL B 700 70.809 -8.747 0.163 1.00 1.00 H new ATOM 0 HG23 VAL B 700 71.579 -8.981 1.750 1.00 1.00 H new ATOM 951 N MET B 701 71.193 -4.355 2.492 1.00 1.00 N ATOM 952 CA MET B 701 70.850 -2.959 2.733 1.00 1.00 C ATOM 953 C MET B 701 71.844 -2.026 2.051 1.00 1.00 C ATOM 954 O MET B 701 71.448 -1.006 1.486 1.00 1.00 O ATOM 955 CB MET B 701 70.775 -2.662 4.230 1.00 1.00 C ATOM 956 CG MET B 701 69.458 -3.206 4.779 1.00 1.00 C ATOM 957 SD MET B 701 69.417 -3.007 6.580 1.00 1.00 S ATOM 958 CE MET B 701 69.299 -1.200 6.622 1.00 1.00 C ATOM 0 H MET B 701 71.428 -4.889 3.329 1.00 1.00 H new ATOM 0 HA MET B 701 69.865 -2.781 2.302 1.00 1.00 H new ATOM 0 HB2 MET B 701 71.617 -3.121 4.748 1.00 1.00 H new ATOM 0 HB3 MET B 701 70.841 -1.588 4.405 1.00 1.00 H new ATOM 0 HG2 MET B 701 68.619 -2.678 4.326 1.00 1.00 H new ATOM 0 HG3 MET B 701 69.351 -4.259 4.517 1.00 1.00 H new ATOM 0 HE1 MET B 701 68.528 -0.902 7.332 1.00 1.00 H new ATOM 0 HE2 MET B 701 70.257 -0.780 6.929 1.00 1.00 H new ATOM 0 HE3 MET B 701 69.041 -0.829 5.630 1.00 1.00 H new ATOM 968 N GLY B 702 73.129 -2.378 2.076 1.00 1.00 N ATOM 969 CA GLY B 702 74.142 -1.554 1.423 1.00 1.00 C ATOM 970 C GLY B 702 73.929 -1.549 -0.088 1.00 1.00 C ATOM 971 O GLY B 702 74.036 -0.512 -0.740 1.00 1.00 O ATOM 0 H GLY B 702 73.488 -3.215 2.534 1.00 1.00 H new ATOM 0 HA2 GLY B 702 74.094 -0.535 1.807 1.00 1.00 H new ATOM 0 HA3 GLY B 702 75.136 -1.936 1.655 1.00 1.00 H new ATOM 975 N ALA B 703 73.627 -2.718 -0.638 1.00 1.00 N ATOM 976 CA ALA B 703 73.404 -2.845 -2.077 1.00 1.00 C ATOM 977 C ALA B 703 72.242 -1.957 -2.504 1.00 1.00 C ATOM 978 O ALA B 703 72.277 -1.346 -3.576 1.00 1.00 O ATOM 979 CB ALA B 703 73.091 -4.297 -2.436 1.00 1.00 C ATOM 0 H ALA B 703 73.531 -3.589 -0.115 1.00 1.00 H new ATOM 0 HA ALA B 703 74.309 -2.534 -2.598 1.00 1.00 H new ATOM 0 HB1 ALA B 703 72.927 -4.379 -3.510 1.00 1.00 H new ATOM 0 HB2 ALA B 703 73.929 -4.932 -2.148 1.00 1.00 H new ATOM 0 HB3 ALA B 703 72.194 -4.617 -1.906 1.00 1.00 H new ATOM 985 N ILE B 704 71.223 -1.874 -1.659 1.00 1.00 N ATOM 986 CA ILE B 704 70.076 -1.026 -1.983 1.00 1.00 C ATOM 987 C ILE B 704 70.535 0.427 -2.101 1.00 1.00 C ATOM 988 O ILE B 704 70.113 1.158 -3.009 1.00 1.00 O ATOM 989 CB ILE B 704 68.987 -1.100 -0.904 1.00 1.00 C ATOM 990 CG1 ILE B 704 68.307 -2.475 -0.877 1.00 1.00 C ATOM 991 CG2 ILE B 704 67.940 -0.016 -1.157 1.00 1.00 C ATOM 992 CD1 ILE B 704 67.674 -2.803 -2.235 1.00 1.00 C ATOM 0 H ILE B 704 71.162 -2.367 -0.768 1.00 1.00 H new ATOM 0 HA ILE B 704 69.659 -1.385 -2.924 1.00 1.00 H new ATOM 0 HB ILE B 704 69.463 -0.942 0.064 1.00 1.00 H new ATOM 0 HG12 ILE B 704 69.038 -3.241 -0.618 1.00 1.00 H new ATOM 0 HG13 ILE B 704 67.541 -2.491 -0.102 1.00 1.00 H new ATOM 0 HG21 ILE B 704 67.168 -0.070 -0.390 1.00 1.00 H new ATOM 0 HG22 ILE B 704 68.416 0.964 -1.124 1.00 1.00 H new ATOM 0 HG23 ILE B 704 67.489 -0.168 -2.138 1.00 1.00 H new ATOM 0 HD11 ILE B 704 67.199 -3.783 -2.188 1.00 1.00 H new ATOM 0 HD12 ILE B 704 66.926 -2.049 -2.480 1.00 1.00 H new ATOM 0 HD13 ILE B 704 68.446 -2.811 -3.004 1.00 1.00 H new ATOM 1004 N LEU B 705 71.395 0.846 -1.177 1.00 1.00 N ATOM 1005 CA LEU B 705 71.871 2.227 -1.192 1.00 1.00 C ATOM 1006 C LEU B 705 72.613 2.527 -2.492 1.00 1.00 C ATOM 1007 O LEU B 705 72.369 3.554 -3.116 1.00 1.00 O ATOM 1008 CB LEU B 705 72.817 2.458 -0.007 1.00 1.00 C ATOM 1009 CG LEU B 705 72.012 2.407 1.292 1.00 1.00 C ATOM 1010 CD1 LEU B 705 72.975 2.425 2.476 1.00 1.00 C ATOM 1011 CD2 LEU B 705 71.074 3.615 1.385 1.00 1.00 C ATOM 0 H LEU B 705 71.769 0.267 -0.426 1.00 1.00 H new ATOM 0 HA LEU B 705 71.009 2.890 -1.116 1.00 1.00 H new ATOM 0 HB2 LEU B 705 73.598 1.698 0.004 1.00 1.00 H new ATOM 0 HB3 LEU B 705 73.313 3.424 -0.104 1.00 1.00 H new ATOM 0 HG LEU B 705 71.415 1.495 1.306 1.00 1.00 H new ATOM 0 HD11 LEU B 705 72.408 2.389 3.406 1.00 1.00 H new ATOM 0 HD12 LEU B 705 73.636 1.560 2.420 1.00 1.00 H new ATOM 0 HD13 LEU B 705 73.569 3.339 2.448 1.00 1.00 H new ATOM 0 HD21 LEU B 705 70.507 3.565 2.315 1.00 1.00 H new ATOM 0 HD22 LEU B 705 71.661 4.533 1.366 1.00 1.00 H new ATOM 0 HD23 LEU B 705 70.386 3.607 0.540 1.00 1.00 H new ATOM 1023 N LEU B 706 73.497 1.632 -2.912 1.00 1.00 N ATOM 1024 CA LEU B 706 74.235 1.864 -4.154 1.00 1.00 C ATOM 1025 C LEU B 706 73.291 1.935 -5.349 1.00 1.00 C ATOM 1026 O LEU B 706 73.467 2.779 -6.228 1.00 1.00 O ATOM 1027 CB LEU B 706 75.278 0.759 -4.390 1.00 1.00 C ATOM 1028 CG LEU B 706 76.577 1.060 -3.621 1.00 1.00 C ATOM 1029 CD1 LEU B 706 76.338 1.015 -2.113 1.00 1.00 C ATOM 1030 CD2 LEU B 706 77.629 0.007 -3.983 1.00 1.00 C ATOM 0 H LEU B 706 73.719 0.761 -2.430 1.00 1.00 H new ATOM 0 HA LEU B 706 74.748 2.820 -4.052 1.00 1.00 H new ATOM 0 HB2 LEU B 706 74.875 -0.202 -4.070 1.00 1.00 H new ATOM 0 HB3 LEU B 706 75.492 0.676 -5.456 1.00 1.00 H new ATOM 0 HG LEU B 706 76.920 2.058 -3.896 1.00 1.00 H new ATOM 0 HD11 LEU B 706 77.270 1.231 -1.590 1.00 1.00 H new ATOM 0 HD12 LEU B 706 75.589 1.759 -1.841 1.00 1.00 H new ATOM 0 HD13 LEU B 706 75.984 0.023 -1.830 1.00 1.00 H new ATOM 0 HD21 LEU B 706 78.552 0.214 -3.442 1.00 1.00 H new ATOM 0 HD22 LEU B 706 77.262 -0.982 -3.710 1.00 1.00 H new ATOM 0 HD23 LEU B 706 77.822 0.039 -5.055 1.00 1.00 H new ATOM 1042 N ILE B 707 72.307 1.042 -5.386 1.00 1.00 N ATOM 1043 CA ILE B 707 71.368 1.015 -6.501 1.00 1.00 C ATOM 1044 C ILE B 707 70.565 2.306 -6.568 1.00 1.00 C ATOM 1045 O ILE B 707 70.401 2.881 -7.643 1.00 1.00 O ATOM 1046 CB ILE B 707 70.413 -0.170 -6.345 1.00 1.00 C ATOM 1047 CG1 ILE B 707 71.186 -1.473 -6.521 1.00 1.00 C ATOM 1048 CG2 ILE B 707 69.328 -0.083 -7.414 1.00 1.00 C ATOM 1049 CD1 ILE B 707 70.317 -2.645 -6.079 1.00 1.00 C ATOM 0 H ILE B 707 72.140 0.337 -4.668 1.00 1.00 H new ATOM 0 HA ILE B 707 71.938 0.911 -7.424 1.00 1.00 H new ATOM 0 HB ILE B 707 69.960 -0.145 -5.354 1.00 1.00 H new ATOM 0 HG12 ILE B 707 71.478 -1.597 -7.564 1.00 1.00 H new ATOM 0 HG13 ILE B 707 72.104 -1.446 -5.934 1.00 1.00 H new ATOM 0 HG21 ILE B 707 68.644 -0.925 -7.308 1.00 1.00 H new ATOM 0 HG22 ILE B 707 68.776 0.850 -7.297 1.00 1.00 H new ATOM 0 HG23 ILE B 707 69.788 -0.111 -8.402 1.00 1.00 H new ATOM 0 HD11 ILE B 707 70.870 -3.576 -6.205 1.00 1.00 H new ATOM 0 HD12 ILE B 707 70.047 -2.523 -5.030 1.00 1.00 H new ATOM 0 HD13 ILE B 707 69.412 -2.676 -6.685 1.00 1.00 H new ATOM 1061 N GLY B 708 70.073 2.760 -5.422 1.00 1.00 N ATOM 1062 CA GLY B 708 69.296 4.008 -5.376 1.00 1.00 C ATOM 1063 C GLY B 708 70.176 5.240 -5.606 1.00 1.00 C ATOM 1064 O GLY B 708 69.752 6.210 -6.243 1.00 1.00 O ATOM 0 H GLY B 708 70.191 2.297 -4.521 1.00 1.00 H new ATOM 0 HA2 GLY B 708 68.513 3.976 -6.133 1.00 1.00 H new ATOM 0 HA3 GLY B 708 68.801 4.091 -4.409 1.00 1.00 H new ATOM 1068 N LEU B 709 71.389 5.212 -5.056 1.00 1.00 N ATOM 1069 CA LEU B 709 72.333 6.326 -5.186 1.00 1.00 C ATOM 1070 C LEU B 709 72.863 6.506 -6.615 1.00 1.00 C ATOM 1071 O LEU B 709 73.090 7.631 -7.052 1.00 1.00 O ATOM 1072 CB LEU B 709 73.524 6.185 -4.211 1.00 1.00 C ATOM 1073 CG LEU B 709 73.214 6.824 -2.835 1.00 1.00 C ATOM 1074 CD1 LEU B 709 72.123 6.059 -2.089 1.00 1.00 C ATOM 1075 CD2 LEU B 709 74.483 6.813 -1.983 1.00 1.00 C ATOM 0 H LEU B 709 71.745 4.426 -4.512 1.00 1.00 H new ATOM 0 HA LEU B 709 71.760 7.217 -4.929 1.00 1.00 H new ATOM 0 HB2 LEU B 709 73.762 5.130 -4.077 1.00 1.00 H new ATOM 0 HB3 LEU B 709 74.406 6.659 -4.642 1.00 1.00 H new ATOM 0 HG LEU B 709 72.865 7.842 -3.009 1.00 1.00 H new ATOM 0 HD11 LEU B 709 71.934 6.538 -1.128 1.00 1.00 H new ATOM 0 HD12 LEU B 709 71.208 6.060 -2.681 1.00 1.00 H new ATOM 0 HD13 LEU B 709 72.447 5.031 -1.924 1.00 1.00 H new ATOM 0 HD21 LEU B 709 74.273 7.261 -1.012 1.00 1.00 H new ATOM 0 HD22 LEU B 709 74.819 5.785 -1.843 1.00 1.00 H new ATOM 0 HD23 LEU B 709 75.264 7.384 -2.485 1.00 1.00 H new ATOM 1087 N ALA B 710 73.111 5.404 -7.329 1.00 1.00 N ATOM 1088 CA ALA B 710 73.682 5.508 -8.678 1.00 1.00 C ATOM 1089 C ALA B 710 72.871 6.446 -9.581 1.00 1.00 C ATOM 1090 O ALA B 710 73.425 7.403 -10.125 1.00 1.00 O ATOM 1091 CB ALA B 710 73.825 4.122 -9.312 1.00 1.00 C ATOM 0 H ALA B 710 72.932 4.453 -7.008 1.00 1.00 H new ATOM 0 HA ALA B 710 74.674 5.947 -8.577 1.00 1.00 H new ATOM 0 HB1 ALA B 710 74.250 4.221 -10.311 1.00 1.00 H new ATOM 0 HB2 ALA B 710 74.482 3.507 -8.697 1.00 1.00 H new ATOM 0 HB3 ALA B 710 72.845 3.650 -9.380 1.00 1.00 H new ATOM 1097 N PRO B 711 71.594 6.226 -9.755 1.00 1.00 N ATOM 1098 CA PRO B 711 70.764 7.121 -10.610 1.00 1.00 C ATOM 1099 C PRO B 711 70.865 8.589 -10.189 1.00 1.00 C ATOM 1100 O PRO B 711 70.990 9.476 -11.035 1.00 1.00 O ATOM 1101 CB PRO B 711 69.334 6.622 -10.389 1.00 1.00 C ATOM 1102 CG PRO B 711 69.463 5.219 -9.907 1.00 1.00 C ATOM 1103 CD PRO B 711 70.807 5.123 -9.187 1.00 1.00 C ATOM 0 HA PRO B 711 71.090 7.087 -11.650 1.00 1.00 H new ATOM 0 HB2 PRO B 711 68.813 7.240 -9.658 1.00 1.00 H new ATOM 0 HB3 PRO B 711 68.757 6.666 -11.313 1.00 1.00 H new ATOM 0 HG2 PRO B 711 68.644 4.964 -9.234 1.00 1.00 H new ATOM 0 HG3 PRO B 711 69.420 4.518 -10.741 1.00 1.00 H new ATOM 0 HD2 PRO B 711 70.691 5.230 -8.109 1.00 1.00 H new ATOM 0 HD3 PRO B 711 71.286 4.160 -9.362 1.00 1.00 H new ATOM 1111 N LEU B 712 70.821 8.837 -8.878 1.00 1.00 N ATOM 1112 CA LEU B 712 70.916 10.201 -8.361 1.00 1.00 C ATOM 1113 C LEU B 712 72.282 10.817 -8.664 1.00 1.00 C ATOM 1114 O LEU B 712 72.369 11.974 -9.072 1.00 1.00 O ATOM 1115 CB LEU B 712 70.676 10.197 -6.847 1.00 1.00 C ATOM 1116 CG LEU B 712 69.211 9.846 -6.555 1.00 1.00 C ATOM 1117 CD1 LEU B 712 69.020 9.638 -5.052 1.00 1.00 C ATOM 1118 CD2 LEU B 712 68.284 10.973 -7.026 1.00 1.00 C ATOM 0 H LEU B 712 70.721 8.117 -8.162 1.00 1.00 H new ATOM 0 HA LEU B 712 70.155 10.805 -8.855 1.00 1.00 H new ATOM 0 HB2 LEU B 712 71.336 9.474 -6.367 1.00 1.00 H new ATOM 0 HB3 LEU B 712 70.916 11.175 -6.429 1.00 1.00 H new ATOM 0 HG LEU B 712 68.962 8.931 -7.092 1.00 1.00 H new ATOM 0 HD11 LEU B 712 67.979 9.389 -4.849 1.00 1.00 H new ATOM 0 HD12 LEU B 712 69.661 8.824 -4.713 1.00 1.00 H new ATOM 0 HD13 LEU B 712 69.285 10.553 -4.522 1.00 1.00 H new ATOM 0 HD21 LEU B 712 67.249 10.707 -6.811 1.00 1.00 H new ATOM 0 HD22 LEU B 712 68.538 11.895 -6.503 1.00 1.00 H new ATOM 0 HD23 LEU B 712 68.405 11.119 -8.099 1.00 1.00 H new ATOM 1130 N LEU B 713 73.342 10.042 -8.475 1.00 1.00 N ATOM 1131 CA LEU B 713 74.687 10.538 -8.749 1.00 1.00 C ATOM 1132 C LEU B 713 74.869 10.863 -10.222 1.00 1.00 C ATOM 1133 O LEU B 713 75.477 11.880 -10.562 1.00 1.00 O ATOM 1134 CB LEU B 713 75.760 9.549 -8.281 1.00 1.00 C ATOM 1135 CG LEU B 713 76.154 9.832 -6.818 1.00 1.00 C ATOM 1136 CD1 LEU B 713 74.957 9.686 -5.876 1.00 1.00 C ATOM 1137 CD2 LEU B 713 77.241 8.842 -6.398 1.00 1.00 C ATOM 0 H LEU B 713 73.300 9.080 -8.138 1.00 1.00 H new ATOM 0 HA LEU B 713 74.808 11.460 -8.180 1.00 1.00 H new ATOM 0 HB2 LEU B 713 75.387 8.529 -8.373 1.00 1.00 H new ATOM 0 HB3 LEU B 713 76.638 9.626 -8.922 1.00 1.00 H new ATOM 0 HG LEU B 713 76.516 10.858 -6.753 1.00 1.00 H new ATOM 0 HD11 LEU B 713 75.272 9.893 -4.853 1.00 1.00 H new ATOM 0 HD12 LEU B 713 74.178 10.391 -6.166 1.00 1.00 H new ATOM 0 HD13 LEU B 713 74.567 8.670 -5.937 1.00 1.00 H new ATOM 0 HD21 LEU B 713 77.527 9.033 -5.364 1.00 1.00 H new ATOM 0 HD22 LEU B 713 76.860 7.824 -6.487 1.00 1.00 H new ATOM 0 HD23 LEU B 713 78.111 8.962 -7.044 1.00 1.00 H new ATOM 1149 N ILE B 714 74.333 10.016 -11.097 1.00 1.00 N ATOM 1150 CA ILE B 714 74.458 10.267 -12.525 1.00 1.00 C ATOM 1151 C ILE B 714 73.741 11.566 -12.868 1.00 1.00 C ATOM 1152 O ILE B 714 74.275 12.410 -13.585 1.00 1.00 O ATOM 1153 CB ILE B 714 73.843 9.114 -13.320 1.00 1.00 C ATOM 1154 CG1 ILE B 714 74.693 7.858 -13.127 1.00 1.00 C ATOM 1155 CG2 ILE B 714 73.804 9.482 -14.806 1.00 1.00 C ATOM 1156 CD1 ILE B 714 73.945 6.645 -13.685 1.00 1.00 C ATOM 0 H ILE B 714 73.820 9.170 -10.849 1.00 1.00 H new ATOM 0 HA ILE B 714 75.513 10.348 -12.785 1.00 1.00 H new ATOM 0 HB ILE B 714 72.829 8.926 -12.967 1.00 1.00 H new ATOM 0 HG12 ILE B 714 75.651 7.973 -13.634 1.00 1.00 H new ATOM 0 HG13 ILE B 714 74.908 7.711 -12.069 1.00 1.00 H new ATOM 0 HG21 ILE B 714 73.366 8.661 -15.373 1.00 1.00 H new ATOM 0 HG22 ILE B 714 73.201 10.380 -14.943 1.00 1.00 H new ATOM 0 HG23 ILE B 714 74.817 9.668 -15.161 1.00 1.00 H new ATOM 0 HD11 ILE B 714 74.551 5.749 -13.548 1.00 1.00 H new ATOM 0 HD12 ILE B 714 72.998 6.527 -13.158 1.00 1.00 H new ATOM 0 HD13 ILE B 714 73.753 6.793 -14.748 1.00 1.00 H new ATOM 1168 N TRP B 715 72.542 11.735 -12.318 1.00 1.00 N ATOM 1169 CA TRP B 715 71.756 12.943 -12.527 1.00 1.00 C ATOM 1170 C TRP B 715 72.489 14.154 -11.942 1.00 1.00 C ATOM 1171 O TRP B 715 72.629 15.190 -12.593 1.00 1.00 O ATOM 1172 CB TRP B 715 70.396 12.712 -11.846 1.00 1.00 C ATOM 1173 CG TRP B 715 69.633 13.980 -11.613 1.00 1.00 C ATOM 1174 CD1 TRP B 715 69.742 15.131 -12.315 1.00 1.00 C ATOM 1175 CD2 TRP B 715 68.606 14.212 -10.608 1.00 1.00 C ATOM 1176 NE1 TRP B 715 68.865 16.065 -11.778 1.00 1.00 N ATOM 1177 CE2 TRP B 715 68.138 15.538 -10.729 1.00 1.00 C ATOM 1178 CE3 TRP B 715 68.050 13.399 -9.604 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 67.145 16.042 -9.884 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 67.053 13.899 -8.755 1.00 1.00 C ATOM 1181 CH2 TRP B 715 66.601 15.218 -8.894 1.00 1.00 C ATOM 0 H TRP B 715 72.092 11.043 -11.719 1.00 1.00 H new ATOM 0 HA TRP B 715 71.609 13.150 -13.587 1.00 1.00 H new ATOM 0 HB2 TRP B 715 69.797 12.042 -12.463 1.00 1.00 H new ATOM 0 HB3 TRP B 715 70.555 12.210 -10.892 1.00 1.00 H new ATOM 0 HD1 TRP B 715 70.402 15.297 -13.154 1.00 1.00 H new ATOM 0 HE1 TRP B 715 68.770 17.022 -12.117 1.00 1.00 H new ATOM 0 HE3 TRP B 715 68.394 12.382 -9.486 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 66.801 17.060 -9.995 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 66.631 13.264 -7.990 1.00 1.00 H new ATOM 0 HH2 TRP B 715 65.833 15.598 -8.237 1.00 1.00 H new ATOM 1192 N LYS B 716 72.947 14.012 -10.706 1.00 1.00 N ATOM 1193 CA LYS B 716 73.650 15.091 -10.025 1.00 1.00 C ATOM 1194 C LYS B 716 74.925 15.464 -10.781 1.00 1.00 C ATOM 1195 O LYS B 716 75.250 16.644 -10.917 1.00 1.00 O ATOM 1196 CB LYS B 716 74.000 14.644 -8.596 1.00 1.00 C ATOM 1197 CG LYS B 716 74.610 15.803 -7.779 1.00 1.00 C ATOM 1198 CD LYS B 716 73.532 16.544 -6.956 1.00 1.00 C ATOM 1199 CE LYS B 716 72.640 17.412 -7.850 1.00 1.00 C ATOM 1200 NZ LYS B 716 72.056 18.512 -7.034 1.00 1.00 N ATOM 0 H LYS B 716 72.845 13.160 -10.154 1.00 1.00 H new ATOM 0 HA LYS B 716 73.004 15.969 -9.989 1.00 1.00 H new ATOM 0 HB2 LYS B 716 73.103 14.278 -8.097 1.00 1.00 H new ATOM 0 HB3 LYS B 716 74.705 13.813 -8.635 1.00 1.00 H new ATOM 0 HG2 LYS B 716 75.377 15.413 -7.109 1.00 1.00 H new ATOM 0 HG3 LYS B 716 75.102 16.505 -8.452 1.00 1.00 H new ATOM 0 HD2 LYS B 716 72.918 15.819 -6.422 1.00 1.00 H new ATOM 0 HD3 LYS B 716 74.013 17.169 -6.204 1.00 1.00 H new ATOM 0 HE2 LYS B 716 73.221 17.824 -8.675 1.00 1.00 H new ATOM 0 HE3 LYS B 716 71.846 16.808 -8.290 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 72.323 19.429 -7.446 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 71.020 18.425 -7.025 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 72.417 18.452 -6.061 1.00 1.00 H new ATOM 1214 N LEU B 717 75.653 14.462 -11.261 1.00 1.00 N ATOM 1215 CA LEU B 717 76.891 14.730 -11.983 1.00 1.00 C ATOM 1216 C LEU B 717 76.611 15.531 -13.246 1.00 1.00 C ATOM 1217 O LEU B 717 77.328 16.478 -13.559 1.00 1.00 O ATOM 1218 CB LEU B 717 77.577 13.407 -12.347 1.00 1.00 C ATOM 1219 CG LEU B 717 78.879 13.664 -13.119 1.00 1.00 C ATOM 1220 CD1 LEU B 717 79.818 14.544 -12.289 1.00 1.00 C ATOM 1221 CD2 LEU B 717 79.571 12.328 -13.408 1.00 1.00 C ATOM 0 H LEU B 717 75.414 13.475 -11.166 1.00 1.00 H new ATOM 0 HA LEU B 717 77.549 15.314 -11.340 1.00 1.00 H new ATOM 0 HB2 LEU B 717 77.792 12.842 -11.440 1.00 1.00 H new ATOM 0 HB3 LEU B 717 76.905 12.797 -12.951 1.00 1.00 H new ATOM 0 HG LEU B 717 78.642 14.172 -14.054 1.00 1.00 H new ATOM 0 HD11 LEU B 717 80.738 14.720 -12.846 1.00 1.00 H new ATOM 0 HD12 LEU B 717 79.333 15.497 -12.079 1.00 1.00 H new ATOM 0 HD13 LEU B 717 80.052 14.042 -11.350 1.00 1.00 H new ATOM 0 HD21 LEU B 717 80.496 12.508 -13.956 1.00 1.00 H new ATOM 0 HD22 LEU B 717 79.798 11.825 -12.468 1.00 1.00 H new ATOM 0 HD23 LEU B 717 78.912 11.699 -14.006 1.00 1.00 H new ATOM 1233 N LEU B 718 75.578 15.138 -13.979 1.00 1.00 N ATOM 1234 CA LEU B 718 75.244 15.823 -15.217 1.00 1.00 C ATOM 1235 C LEU B 718 74.888 17.284 -14.951 1.00 1.00 C ATOM 1236 O LEU B 718 75.321 18.173 -15.683 1.00 1.00 O ATOM 1237 CB LEU B 718 74.070 15.121 -15.905 1.00 1.00 C ATOM 1238 CG LEU B 718 74.522 13.756 -16.442 1.00 1.00 C ATOM 1239 CD1 LEU B 718 73.297 12.966 -16.912 1.00 1.00 C ATOM 1240 CD2 LEU B 718 75.492 13.939 -17.621 1.00 1.00 C ATOM 0 H LEU B 718 74.965 14.359 -13.741 1.00 1.00 H new ATOM 0 HA LEU B 718 76.116 15.792 -15.870 1.00 1.00 H new ATOM 0 HB2 LEU B 718 73.249 14.991 -15.200 1.00 1.00 H new ATOM 0 HB3 LEU B 718 73.694 15.737 -16.722 1.00 1.00 H new ATOM 0 HG LEU B 718 75.032 13.214 -15.646 1.00 1.00 H new ATOM 0 HD11 LEU B 718 73.614 11.996 -17.294 1.00 1.00 H new ATOM 0 HD12 LEU B 718 72.615 12.821 -16.075 1.00 1.00 H new ATOM 0 HD13 LEU B 718 72.789 13.519 -17.702 1.00 1.00 H new ATOM 0 HD21 LEU B 718 75.804 12.962 -17.991 1.00 1.00 H new ATOM 0 HD22 LEU B 718 74.994 14.488 -18.420 1.00 1.00 H new ATOM 0 HD23 LEU B 718 76.367 14.497 -17.289 1.00 1.00 H new ATOM 1252 N ILE B 719 74.115 17.537 -13.900 1.00 1.00 N ATOM 1253 CA ILE B 719 73.739 18.911 -13.576 1.00 1.00 C ATOM 1254 C ILE B 719 74.975 19.725 -13.217 1.00 1.00 C ATOM 1255 O ILE B 719 75.126 20.868 -13.652 1.00 1.00 O ATOM 1256 CB ILE B 719 72.758 18.928 -12.397 1.00 1.00 C ATOM 1257 CG1 ILE B 719 71.415 18.300 -12.811 1.00 1.00 C ATOM 1258 CG2 ILE B 719 72.547 20.363 -11.915 1.00 1.00 C ATOM 1259 CD1 ILE B 719 70.759 19.071 -13.972 1.00 1.00 C ATOM 0 H ILE B 719 73.743 16.827 -13.269 1.00 1.00 H new ATOM 0 HA ILE B 719 73.259 19.352 -14.450 1.00 1.00 H new ATOM 0 HB ILE B 719 73.177 18.340 -11.580 1.00 1.00 H new ATOM 0 HG12 ILE B 719 71.574 17.263 -13.107 1.00 1.00 H new ATOM 0 HG13 ILE B 719 70.740 18.287 -11.955 1.00 1.00 H new ATOM 0 HG21 ILE B 719 71.849 20.367 -11.078 1.00 1.00 H new ATOM 0 HG22 ILE B 719 73.500 20.783 -11.595 1.00 1.00 H new ATOM 0 HG23 ILE B 719 72.141 20.964 -12.729 1.00 1.00 H new ATOM 0 HD11 ILE B 719 69.813 18.597 -14.235 1.00 1.00 H new ATOM 0 HD12 ILE B 719 70.576 20.101 -13.667 1.00 1.00 H new ATOM 0 HD13 ILE B 719 71.423 19.061 -14.836 1.00 1.00 H new ATOM 1271 N THR B 720 75.852 19.141 -12.406 1.00 1.00 N ATOM 1272 CA THR B 720 77.057 19.841 -11.982 1.00 1.00 C ATOM 1273 C THR B 720 77.901 20.239 -13.191 1.00 1.00 C ATOM 1274 O THR B 720 78.416 21.355 -13.242 1.00 1.00 O ATOM 1275 CB THR B 720 77.875 18.950 -11.047 1.00 1.00 C ATOM 1276 OG1 THR B 720 78.025 17.669 -11.642 1.00 1.00 O ATOM 1277 CG2 THR B 720 77.148 18.810 -9.707 1.00 1.00 C ATOM 0 H THR B 720 75.752 18.197 -12.034 1.00 1.00 H new ATOM 0 HA THR B 720 76.763 20.746 -11.451 1.00 1.00 H new ATOM 0 HB THR B 720 78.856 19.395 -10.879 1.00 1.00 H new ATOM 0 HG1 THR B 720 77.508 17.632 -12.474 1.00 1.00 H new ATOM 0 HG21 THR B 720 77.732 18.175 -9.041 1.00 1.00 H new ATOM 0 HG22 THR B 720 77.026 19.794 -9.255 1.00 1.00 H new ATOM 0 HG23 THR B 720 76.168 18.361 -9.870 1.00 1.00 H new ATOM 1285 N ILE B 721 78.077 19.340 -14.155 1.00 1.00 N ATOM 1286 CA ILE B 721 78.907 19.675 -15.307 1.00 1.00 C ATOM 1287 C ILE B 721 78.324 20.856 -16.084 1.00 1.00 C ATOM 1288 O ILE B 721 79.050 21.791 -16.445 1.00 1.00 O ATOM 1289 CB ILE B 721 79.011 18.457 -16.240 1.00 1.00 C ATOM 1290 CG1 ILE B 721 79.815 17.331 -15.567 1.00 1.00 C ATOM 1291 CG2 ILE B 721 79.684 18.860 -17.555 1.00 1.00 C ATOM 1292 CD1 ILE B 721 81.247 17.785 -15.228 1.00 1.00 C ATOM 0 H ILE B 721 77.671 18.404 -14.165 1.00 1.00 H new ATOM 0 HA ILE B 721 79.896 19.954 -14.943 1.00 1.00 H new ATOM 0 HB ILE B 721 78.005 18.093 -16.448 1.00 1.00 H new ATOM 0 HG12 ILE B 721 79.307 17.014 -14.656 1.00 1.00 H new ATOM 0 HG13 ILE B 721 79.854 16.465 -16.228 1.00 1.00 H new ATOM 0 HG21 ILE B 721 79.753 17.991 -18.209 1.00 1.00 H new ATOM 0 HG22 ILE B 721 79.094 19.636 -18.043 1.00 1.00 H new ATOM 0 HG23 ILE B 721 80.685 19.241 -17.350 1.00 1.00 H new ATOM 0 HD11 ILE B 721 81.786 16.965 -14.754 1.00 1.00 H new ATOM 0 HD12 ILE B 721 81.762 18.077 -16.143 1.00 1.00 H new ATOM 0 HD13 ILE B 721 81.208 18.635 -14.547 1.00 1.00 H new ATOM 1304 N HIS B 722 77.013 20.825 -16.300 1.00 1.00 N ATOM 1305 CA HIS B 722 76.351 21.922 -16.999 1.00 1.00 C ATOM 1306 C HIS B 722 76.525 23.215 -16.204 1.00 1.00 C ATOM 1307 O HIS B 722 76.752 24.285 -16.774 1.00 1.00 O ATOM 1308 CB HIS B 722 74.861 21.616 -17.171 1.00 1.00 C ATOM 1309 CG HIS B 722 74.688 20.573 -18.243 1.00 1.00 C ATOM 1310 ND1 HIS B 722 74.887 19.225 -18.000 1.00 1.00 N ATOM 1311 CD2 HIS B 722 74.353 20.669 -19.573 1.00 1.00 C ATOM 1312 CE1 HIS B 722 74.679 18.569 -19.155 1.00 1.00 C ATOM 1313 NE2 HIS B 722 74.352 19.401 -20.148 1.00 1.00 N ATOM 0 H HIS B 722 76.396 20.067 -16.007 1.00 1.00 H new ATOM 0 HA HIS B 722 76.802 22.039 -17.984 1.00 1.00 H new ATOM 0 HB2 HIS B 722 74.440 21.261 -16.230 1.00 1.00 H new ATOM 0 HB3 HIS B 722 74.320 22.523 -17.440 1.00 1.00 H new ATOM 0 HD1 HIS B 722 75.145 18.805 -17.107 1.00 1.00 H new ATOM 0 HD2 HIS B 722 74.125 21.588 -20.093 1.00 1.00 H new ATOM 0 HE1 HIS B 722 74.766 17.498 -19.267 1.00 1.00 H new