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 74:sc= 0.453 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 -5:sc= -0.0602 USER MOD Single : B 701 MET CE :methyl 157:sc= -0.108 (180deg=-0.739) USER MOD Single : B 716 LYS NZ :NH3+ 166:sc= 1.01 (180deg=0.57) USER MOD Single : B 720 THR OG1 : rot 77:sc= 1.07 USER MOD Single : B 722 HIS : no HE2:sc= 0.0416! C(o=0.042!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 64.560 -16.501 4.233 1.00 1.00 N ATOM 137 CA ILE A 966 63.830 -15.476 3.484 1.00 1.00 C ATOM 138 C ILE A 966 63.570 -14.186 4.275 1.00 1.00 C ATOM 139 O ILE A 966 63.660 -13.091 3.720 1.00 1.00 O ATOM 140 CB ILE A 966 62.491 -16.049 3.017 1.00 1.00 C ATOM 141 CG1 ILE A 966 62.742 -17.133 1.965 1.00 1.00 C ATOM 142 CG2 ILE A 966 61.643 -14.930 2.405 1.00 1.00 C ATOM 143 CD1 ILE A 966 61.446 -17.901 1.698 1.00 1.00 C ATOM 0 HA ILE A 966 64.467 -15.203 2.643 1.00 1.00 H new ATOM 0 HB ILE A 966 61.963 -16.481 3.867 1.00 1.00 H new ATOM 0 HG12 ILE A 966 63.105 -16.681 1.042 1.00 1.00 H new ATOM 0 HG13 ILE A 966 63.517 -17.817 2.311 1.00 1.00 H new ATOM 0 HG21 ILE A 966 60.689 -15.338 2.072 1.00 1.00 H new ATOM 0 HG22 ILE A 966 61.466 -14.157 3.153 1.00 1.00 H new ATOM 0 HG23 ILE A 966 62.170 -14.498 1.554 1.00 1.00 H new ATOM 0 HD11 ILE A 966 61.628 -18.672 0.949 1.00 1.00 H new ATOM 0 HD12 ILE A 966 61.102 -18.366 2.622 1.00 1.00 H new ATOM 0 HD13 ILE A 966 60.684 -17.213 1.333 1.00 1.00 H new ATOM 155 N TRP A 967 63.179 -14.314 5.541 1.00 1.00 N ATOM 156 CA TRP A 967 62.839 -13.129 6.334 1.00 1.00 C ATOM 157 C TRP A 967 63.954 -12.084 6.295 1.00 1.00 C ATOM 158 O TRP A 967 63.698 -10.909 6.040 1.00 1.00 O ATOM 159 CB TRP A 967 62.613 -13.517 7.797 1.00 1.00 C ATOM 160 CG TRP A 967 62.855 -14.979 7.984 1.00 1.00 C ATOM 161 CD1 TRP A 967 63.934 -15.499 8.613 1.00 1.00 C ATOM 162 CD2 TRP A 967 62.042 -16.111 7.561 1.00 1.00 C ATOM 163 NE1 TRP A 967 63.839 -16.875 8.605 1.00 1.00 N ATOM 164 CE2 TRP A 967 62.690 -17.305 7.968 1.00 1.00 C ATOM 165 CE3 TRP A 967 60.822 -16.222 6.872 1.00 1.00 C ATOM 166 CZ2 TRP A 967 62.145 -18.560 7.699 1.00 1.00 C ATOM 167 CZ3 TRP A 967 60.269 -17.485 6.601 1.00 1.00 C ATOM 168 CH2 TRP A 967 60.929 -18.652 7.014 1.00 1.00 C ATOM 0 H TRP A 967 63.090 -15.203 6.033 1.00 1.00 H new ATOM 0 HA TRP A 967 61.932 -12.707 5.900 1.00 1.00 H new ATOM 0 HB2 TRP A 967 63.281 -12.945 8.440 1.00 1.00 H new ATOM 0 HB3 TRP A 967 61.594 -13.268 8.094 1.00 1.00 H new ATOM 0 HD1 TRP A 967 64.740 -14.929 9.051 1.00 1.00 H new ATOM 0 HE1 TRP A 967 64.532 -17.499 9.019 1.00 1.00 H new ATOM 0 HE3 TRP A 967 60.306 -15.330 6.549 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 62.658 -19.455 8.018 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 59.330 -17.558 6.072 1.00 1.00 H new ATOM 0 HH2 TRP A 967 60.499 -19.620 6.803 1.00 1.00 H new ATOM 179 N TRP A 968 65.175 -12.498 6.608 1.00 1.00 N ATOM 180 CA TRP A 968 66.296 -11.560 6.665 1.00 1.00 C ATOM 181 C TRP A 968 66.491 -10.836 5.337 1.00 1.00 C ATOM 182 O TRP A 968 66.785 -9.640 5.329 1.00 1.00 O ATOM 183 CB TRP A 968 67.581 -12.295 7.033 1.00 1.00 C ATOM 184 CG TRP A 968 67.410 -12.936 8.369 1.00 1.00 C ATOM 185 CD1 TRP A 968 67.384 -14.265 8.572 1.00 1.00 C ATOM 186 CD2 TRP A 968 67.212 -12.318 9.673 1.00 1.00 C ATOM 187 NE1 TRP A 968 67.198 -14.515 9.917 1.00 1.00 N ATOM 188 CE2 TRP A 968 67.081 -13.344 10.641 1.00 1.00 C ATOM 189 CE3 TRP A 968 67.137 -10.984 10.107 1.00 1.00 C ATOM 190 CZ2 TRP A 968 66.883 -13.055 11.991 1.00 1.00 C ATOM 191 CZ3 TRP A 968 66.937 -10.689 11.466 1.00 1.00 C ATOM 192 CH2 TRP A 968 66.811 -11.722 12.405 1.00 1.00 C ATOM 0 H TRP A 968 65.416 -13.465 6.825 1.00 1.00 H new ATOM 0 HA TRP A 968 66.063 -10.819 7.429 1.00 1.00 H new ATOM 0 HB2 TRP A 968 67.812 -13.049 6.281 1.00 1.00 H new ATOM 0 HB3 TRP A 968 68.420 -11.599 7.054 1.00 1.00 H new ATOM 0 HD1 TRP A 968 67.492 -15.017 7.805 1.00 1.00 H new ATOM 0 HE1 TRP A 968 67.153 -15.448 10.326 1.00 1.00 H new ATOM 0 HE3 TRP A 968 67.234 -10.181 9.392 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 66.786 -13.855 12.710 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 66.880 -9.660 11.789 1.00 1.00 H new ATOM 0 HH2 TRP A 968 66.658 -11.488 13.448 1.00 1.00 H new ATOM 203 N VAL A 969 66.299 -11.525 4.218 1.00 1.00 N ATOM 204 CA VAL A 969 66.434 -10.866 2.924 1.00 1.00 C ATOM 205 C VAL A 969 65.359 -9.793 2.803 1.00 1.00 C ATOM 206 O VAL A 969 65.618 -8.667 2.377 1.00 1.00 O ATOM 207 CB VAL A 969 66.279 -11.886 1.793 1.00 1.00 C ATOM 208 CG1 VAL A 969 66.218 -11.154 0.452 1.00 1.00 C ATOM 209 CG2 VAL A 969 67.477 -12.838 1.801 1.00 1.00 C ATOM 0 H VAL A 969 66.055 -12.515 4.178 1.00 1.00 H new ATOM 0 HA VAL A 969 67.422 -10.411 2.848 1.00 1.00 H new ATOM 0 HB VAL A 969 65.361 -12.455 1.938 1.00 1.00 H new ATOM 0 HG11 VAL A 969 66.108 -11.880 -0.354 1.00 1.00 H new ATOM 0 HG12 VAL A 969 65.366 -10.474 0.447 1.00 1.00 H new ATOM 0 HG13 VAL A 969 67.137 -10.586 0.305 1.00 1.00 H new ATOM 0 HG21 VAL A 969 67.369 -13.565 0.996 1.00 1.00 H new ATOM 0 HG22 VAL A 969 68.395 -12.269 1.655 1.00 1.00 H new ATOM 0 HG23 VAL A 969 67.521 -13.359 2.757 1.00 1.00 H new ATOM 219 N LEU A 970 64.150 -10.173 3.194 1.00 1.00 N ATOM 220 CA LEU A 970 63.009 -9.266 3.147 1.00 1.00 C ATOM 221 C LEU A 970 63.247 -8.072 4.069 1.00 1.00 C ATOM 222 O LEU A 970 62.944 -6.933 3.713 1.00 1.00 O ATOM 223 CB LEU A 970 61.734 -10.009 3.574 1.00 1.00 C ATOM 224 CG LEU A 970 60.526 -9.063 3.554 1.00 1.00 C ATOM 225 CD1 LEU A 970 60.353 -8.460 2.157 1.00 1.00 C ATOM 226 CD2 LEU A 970 59.263 -9.849 3.922 1.00 1.00 C ATOM 0 H LEU A 970 63.933 -11.105 3.548 1.00 1.00 H new ATOM 0 HA LEU A 970 62.888 -8.904 2.126 1.00 1.00 H new ATOM 0 HB2 LEU A 970 61.555 -10.850 2.904 1.00 1.00 H new ATOM 0 HB3 LEU A 970 61.864 -10.420 4.575 1.00 1.00 H new ATOM 0 HG LEU A 970 60.690 -8.260 4.273 1.00 1.00 H new ATOM 0 HD11 LEU A 970 59.493 -7.790 2.154 1.00 1.00 H new ATOM 0 HD12 LEU A 970 61.249 -7.901 1.888 1.00 1.00 H new ATOM 0 HD13 LEU A 970 60.193 -9.259 1.433 1.00 1.00 H new ATOM 0 HD21 LEU A 970 58.402 -9.181 3.909 1.00 1.00 H new ATOM 0 HD22 LEU A 970 59.111 -10.651 3.200 1.00 1.00 H new ATOM 0 HD23 LEU A 970 59.377 -10.275 4.919 1.00 1.00 H new ATOM 238 N VAL A 971 63.780 -8.337 5.258 1.00 1.00 N ATOM 239 CA VAL A 971 64.043 -7.278 6.229 1.00 1.00 C ATOM 240 C VAL A 971 65.078 -6.292 5.698 1.00 1.00 C ATOM 241 O VAL A 971 64.915 -5.077 5.830 1.00 1.00 O ATOM 242 CB VAL A 971 64.542 -7.886 7.542 1.00 1.00 C ATOM 243 CG1 VAL A 971 64.976 -6.766 8.492 1.00 1.00 C ATOM 244 CG2 VAL A 971 63.416 -8.694 8.193 1.00 1.00 C ATOM 0 H VAL A 971 64.038 -9.272 5.572 1.00 1.00 H new ATOM 0 HA VAL A 971 63.111 -6.740 6.404 1.00 1.00 H new ATOM 0 HB VAL A 971 65.389 -8.540 7.338 1.00 1.00 H new ATOM 0 HG11 VAL A 971 65.331 -7.199 9.427 1.00 1.00 H new ATOM 0 HG12 VAL A 971 65.778 -6.189 8.032 1.00 1.00 H new ATOM 0 HG13 VAL A 971 64.128 -6.112 8.694 1.00 1.00 H new ATOM 0 HG21 VAL A 971 63.772 -9.127 9.128 1.00 1.00 H new ATOM 0 HG22 VAL A 971 62.569 -8.039 8.396 1.00 1.00 H new ATOM 0 HG23 VAL A 971 63.105 -9.492 7.519 1.00 1.00 H new ATOM 254 N GLY A 972 66.152 -6.817 5.114 1.00 1.00 N ATOM 255 CA GLY A 972 67.212 -5.963 4.590 1.00 1.00 C ATOM 256 C GLY A 972 66.682 -5.045 3.496 1.00 1.00 C ATOM 257 O GLY A 972 67.075 -3.884 3.402 1.00 1.00 O ATOM 0 H GLY A 972 66.310 -7.817 4.993 1.00 1.00 H new ATOM 0 HA2 GLY A 972 67.635 -5.366 5.398 1.00 1.00 H new ATOM 0 HA3 GLY A 972 68.018 -6.580 4.193 1.00 1.00 H new ATOM 261 N VAL A 973 65.789 -5.577 2.673 1.00 1.00 N ATOM 262 CA VAL A 973 65.211 -4.802 1.584 1.00 1.00 C ATOM 263 C VAL A 973 64.441 -3.608 2.138 1.00 1.00 C ATOM 264 O VAL A 973 64.567 -2.496 1.627 1.00 1.00 O ATOM 265 CB VAL A 973 64.270 -5.679 0.757 1.00 1.00 C ATOM 266 CG1 VAL A 973 63.512 -4.811 -0.248 1.00 1.00 C ATOM 267 CG2 VAL A 973 65.087 -6.734 0.007 1.00 1.00 C ATOM 0 H VAL A 973 65.450 -6.537 2.738 1.00 1.00 H new ATOM 0 HA VAL A 973 66.019 -4.442 0.947 1.00 1.00 H new ATOM 0 HB VAL A 973 63.557 -6.172 1.418 1.00 1.00 H new ATOM 0 HG11 VAL A 973 62.842 -5.437 -0.837 1.00 1.00 H new ATOM 0 HG12 VAL A 973 62.931 -4.059 0.286 1.00 1.00 H new ATOM 0 HG13 VAL A 973 64.222 -4.317 -0.911 1.00 1.00 H new ATOM 0 HG21 VAL A 973 64.418 -7.360 -0.583 1.00 1.00 H new ATOM 0 HG22 VAL A 973 65.799 -6.240 -0.654 1.00 1.00 H new ATOM 0 HG23 VAL A 973 65.626 -7.354 0.723 1.00 1.00 H new ATOM 277 N LEU A 974 63.639 -3.836 3.173 1.00 1.00 N ATOM 278 CA LEU A 974 62.857 -2.756 3.767 1.00 1.00 C ATOM 279 C LEU A 974 63.752 -1.669 4.366 1.00 1.00 C ATOM 280 O LEU A 974 63.490 -0.478 4.204 1.00 1.00 O ATOM 281 CB LEU A 974 61.947 -3.323 4.861 1.00 1.00 C ATOM 282 CG LEU A 974 60.850 -4.184 4.225 1.00 1.00 C ATOM 283 CD1 LEU A 974 60.088 -4.926 5.321 1.00 1.00 C ATOM 284 CD2 LEU A 974 59.872 -3.305 3.432 1.00 1.00 C ATOM 0 H LEU A 974 63.514 -4.747 3.614 1.00 1.00 H new ATOM 0 HA LEU A 974 62.260 -2.303 2.975 1.00 1.00 H new ATOM 0 HB2 LEU A 974 62.532 -3.920 5.561 1.00 1.00 H new ATOM 0 HB3 LEU A 974 61.499 -2.510 5.433 1.00 1.00 H new ATOM 0 HG LEU A 974 61.313 -4.899 3.545 1.00 1.00 H new ATOM 0 HD11 LEU A 974 59.307 -5.539 4.870 1.00 1.00 H new ATOM 0 HD12 LEU A 974 60.777 -5.565 5.874 1.00 1.00 H new ATOM 0 HD13 LEU A 974 59.635 -4.205 6.002 1.00 1.00 H new ATOM 0 HD21 LEU A 974 59.099 -3.931 2.987 1.00 1.00 H new ATOM 0 HD22 LEU A 974 59.410 -2.579 4.101 1.00 1.00 H new ATOM 0 HD23 LEU A 974 60.412 -2.779 2.644 1.00 1.00 H new ATOM 296 N GLY A 975 64.809 -2.089 5.059 1.00 1.00 N ATOM 297 CA GLY A 975 65.727 -1.133 5.680 1.00 1.00 C ATOM 298 C GLY A 975 66.453 -0.298 4.629 1.00 1.00 C ATOM 299 O GLY A 975 66.584 0.916 4.775 1.00 1.00 O ATOM 0 H GLY A 975 65.050 -3.069 5.204 1.00 1.00 H new ATOM 0 HA2 GLY A 975 65.173 -0.476 6.350 1.00 1.00 H new ATOM 0 HA3 GLY A 975 66.455 -1.668 6.289 1.00 1.00 H new ATOM 303 N GLY A 976 66.908 -0.947 3.569 1.00 1.00 N ATOM 304 CA GLY A 976 67.604 -0.242 2.498 1.00 1.00 C ATOM 305 C GLY A 976 66.679 0.789 1.837 1.00 1.00 C ATOM 306 O GLY A 976 67.088 1.915 1.563 1.00 1.00 O ATOM 0 H GLY A 976 66.811 -1.952 3.425 1.00 1.00 H new ATOM 0 HA2 GLY A 976 68.486 0.257 2.898 1.00 1.00 H new ATOM 0 HA3 GLY A 976 67.953 -0.956 1.752 1.00 1.00 H new ATOM 310 N LEU A 977 65.429 0.404 1.596 1.00 1.00 N ATOM 311 CA LEU A 977 64.455 1.317 0.981 1.00 1.00 C ATOM 312 C LEU A 977 64.184 2.530 1.886 1.00 1.00 C ATOM 313 O LEU A 977 64.088 3.657 1.403 1.00 1.00 O ATOM 314 CB LEU A 977 63.143 0.566 0.710 1.00 1.00 C ATOM 315 CG LEU A 977 62.101 1.505 0.083 1.00 1.00 C ATOM 316 CD1 LEU A 977 62.652 2.113 -1.207 1.00 1.00 C ATOM 317 CD2 LEU A 977 60.831 0.713 -0.241 1.00 1.00 C ATOM 0 H LEU A 977 65.064 -0.523 1.813 1.00 1.00 H new ATOM 0 HA LEU A 977 64.871 1.680 0.041 1.00 1.00 H new ATOM 0 HB2 LEU A 977 63.331 -0.275 0.043 1.00 1.00 H new ATOM 0 HB3 LEU A 977 62.755 0.154 1.641 1.00 1.00 H new ATOM 0 HG LEU A 977 61.872 2.303 0.790 1.00 1.00 H new ATOM 0 HD11 LEU A 977 61.906 2.777 -1.644 1.00 1.00 H new ATOM 0 HD12 LEU A 977 63.556 2.679 -0.985 1.00 1.00 H new ATOM 0 HD13 LEU A 977 62.887 1.317 -1.913 1.00 1.00 H new ATOM 0 HD21 LEU A 977 60.091 1.378 -0.686 1.00 1.00 H new ATOM 0 HD22 LEU A 977 61.070 -0.086 -0.943 1.00 1.00 H new ATOM 0 HD23 LEU A 977 60.427 0.282 0.675 1.00 1.00 H new ATOM 329 N LEU A 978 64.050 2.300 3.188 1.00 1.00 N ATOM 330 CA LEU A 978 63.774 3.409 4.109 1.00 1.00 C ATOM 331 C LEU A 978 64.921 4.416 4.101 1.00 1.00 C ATOM 332 O LEU A 978 64.690 5.626 4.113 1.00 1.00 O ATOM 333 CB LEU A 978 63.566 2.877 5.530 1.00 1.00 C ATOM 334 CG LEU A 978 62.244 2.107 5.602 1.00 1.00 C ATOM 335 CD1 LEU A 978 62.152 1.377 6.943 1.00 1.00 C ATOM 336 CD2 LEU A 978 61.055 3.071 5.468 1.00 1.00 C ATOM 0 H LEU A 978 64.125 1.382 3.626 1.00 1.00 H new ATOM 0 HA LEU A 978 62.865 3.910 3.775 1.00 1.00 H new ATOM 0 HB2 LEU A 978 64.394 2.225 5.810 1.00 1.00 H new ATOM 0 HB3 LEU A 978 63.556 3.703 6.241 1.00 1.00 H new ATOM 0 HG LEU A 978 62.212 1.388 4.784 1.00 1.00 H new ATOM 0 HD11 LEU A 978 61.211 0.829 6.995 1.00 1.00 H new ATOM 0 HD12 LEU A 978 62.984 0.679 7.035 1.00 1.00 H new ATOM 0 HD13 LEU A 978 62.195 2.102 7.756 1.00 1.00 H new ATOM 0 HD21 LEU A 978 60.123 2.509 5.521 1.00 1.00 H new ATOM 0 HD22 LEU A 978 61.085 3.801 6.277 1.00 1.00 H new ATOM 0 HD23 LEU A 978 61.112 3.589 4.510 1.00 1.00 H new ATOM 348 N LEU A 979 66.146 3.921 4.078 1.00 1.00 N ATOM 349 CA LEU A 979 67.292 4.827 4.064 1.00 1.00 C ATOM 350 C LEU A 979 67.257 5.690 2.795 1.00 1.00 C ATOM 351 O LEU A 979 67.531 6.890 2.855 1.00 1.00 O ATOM 352 CB LEU A 979 68.595 4.025 4.108 1.00 1.00 C ATOM 353 CG LEU A 979 68.748 3.362 5.484 1.00 1.00 C ATOM 354 CD1 LEU A 979 69.926 2.388 5.448 1.00 1.00 C ATOM 355 CD2 LEU A 979 68.999 4.423 6.566 1.00 1.00 C ATOM 0 H LEU A 979 66.375 2.927 4.069 1.00 1.00 H new ATOM 0 HA LEU A 979 67.243 5.474 4.940 1.00 1.00 H new ATOM 0 HB2 LEU A 979 68.593 3.266 3.326 1.00 1.00 H new ATOM 0 HB3 LEU A 979 69.444 4.681 3.913 1.00 1.00 H new ATOM 0 HG LEU A 979 67.829 2.827 5.722 1.00 1.00 H new ATOM 0 HD11 LEU A 979 70.037 1.915 6.424 1.00 1.00 H new ATOM 0 HD12 LEU A 979 69.743 1.623 4.693 1.00 1.00 H new ATOM 0 HD13 LEU A 979 70.839 2.930 5.201 1.00 1.00 H new ATOM 0 HD21 LEU A 979 69.105 3.936 7.535 1.00 1.00 H new ATOM 0 HD22 LEU A 979 69.912 4.971 6.333 1.00 1.00 H new ATOM 0 HD23 LEU A 979 68.158 5.116 6.598 1.00 1.00 H new ATOM 367 N LEU A 980 66.920 5.090 1.657 1.00 1.00 N ATOM 368 CA LEU A 980 66.861 5.853 0.406 1.00 1.00 C ATOM 369 C LEU A 980 65.807 6.954 0.481 1.00 1.00 C ATOM 370 O LEU A 980 66.028 8.062 -0.007 1.00 1.00 O ATOM 371 CB LEU A 980 66.524 4.949 -0.783 1.00 1.00 C ATOM 372 CG LEU A 980 67.692 4.013 -1.090 1.00 1.00 C ATOM 373 CD1 LEU A 980 67.268 3.040 -2.188 1.00 1.00 C ATOM 374 CD2 LEU A 980 68.907 4.819 -1.564 1.00 1.00 C ATOM 0 H LEU A 980 66.688 4.101 1.570 1.00 1.00 H new ATOM 0 HA LEU A 980 67.848 6.294 0.264 1.00 1.00 H new ATOM 0 HB2 LEU A 980 65.631 4.365 -0.562 1.00 1.00 H new ATOM 0 HB3 LEU A 980 66.298 5.558 -1.658 1.00 1.00 H new ATOM 0 HG LEU A 980 67.964 3.466 -0.187 1.00 1.00 H new ATOM 0 HD11 LEU A 980 68.094 2.366 -2.416 1.00 1.00 H new ATOM 0 HD12 LEU A 980 66.410 2.460 -1.849 1.00 1.00 H new ATOM 0 HD13 LEU A 980 66.997 3.598 -3.084 1.00 1.00 H new ATOM 0 HD21 LEU A 980 69.732 4.140 -1.779 1.00 1.00 H new ATOM 0 HD22 LEU A 980 68.647 5.372 -2.467 1.00 1.00 H new ATOM 0 HD23 LEU A 980 69.207 5.518 -0.783 1.00 1.00 H new ATOM 386 N THR A 981 64.656 6.640 1.060 1.00 1.00 N ATOM 387 CA THR A 981 63.577 7.620 1.146 1.00 1.00 C ATOM 388 C THR A 981 64.001 8.836 1.966 1.00 1.00 C ATOM 389 O THR A 981 63.776 9.975 1.557 1.00 1.00 O ATOM 390 CB THR A 981 62.343 6.979 1.785 1.00 1.00 C ATOM 391 OG1 THR A 981 62.069 5.743 1.137 1.00 1.00 O ATOM 392 CG2 THR A 981 61.143 7.919 1.637 1.00 1.00 C ATOM 0 H THR A 981 64.445 5.731 1.471 1.00 1.00 H new ATOM 0 HA THR A 981 63.340 7.951 0.135 1.00 1.00 H new ATOM 0 HB THR A 981 62.528 6.800 2.844 1.00 1.00 H new ATOM 0 HG1 THR A 981 62.726 5.073 1.419 1.00 1.00 H new ATOM 0 HG21 THR A 981 60.264 7.462 2.092 1.00 1.00 H new ATOM 0 HG22 THR A 981 61.358 8.865 2.134 1.00 1.00 H new ATOM 0 HG23 THR A 981 60.951 8.100 0.579 1.00 1.00 H new ATOM 400 N ILE A 982 64.603 8.599 3.123 1.00 1.00 N ATOM 401 CA ILE A 982 65.025 9.701 3.978 1.00 1.00 C ATOM 402 C ILE A 982 66.082 10.561 3.290 1.00 1.00 C ATOM 403 O ILE A 982 66.013 11.790 3.341 1.00 1.00 O ATOM 404 CB ILE A 982 65.590 9.154 5.288 1.00 1.00 C ATOM 405 CG1 ILE A 982 64.461 8.508 6.096 1.00 1.00 C ATOM 406 CG2 ILE A 982 66.208 10.299 6.093 1.00 1.00 C ATOM 407 CD1 ILE A 982 65.052 7.720 7.265 1.00 1.00 C ATOM 0 H ILE A 982 64.808 7.669 3.488 1.00 1.00 H new ATOM 0 HA ILE A 982 64.153 10.323 4.181 1.00 1.00 H new ATOM 0 HB ILE A 982 66.356 8.408 5.074 1.00 1.00 H new ATOM 0 HG12 ILE A 982 63.782 9.275 6.468 1.00 1.00 H new ATOM 0 HG13 ILE A 982 63.876 7.846 5.457 1.00 1.00 H new ATOM 0 HG21 ILE A 982 66.611 9.910 7.028 1.00 1.00 H new ATOM 0 HG22 ILE A 982 67.010 10.759 5.515 1.00 1.00 H new ATOM 0 HG23 ILE A 982 65.444 11.045 6.310 1.00 1.00 H new ATOM 0 HD11 ILE A 982 64.247 7.261 7.839 1.00 1.00 H new ATOM 0 HD12 ILE A 982 65.714 6.943 6.882 1.00 1.00 H new ATOM 0 HD13 ILE A 982 65.618 8.393 7.909 1.00 1.00 H new ATOM 419 N LEU A 983 67.053 9.924 2.645 1.00 1.00 N ATOM 420 CA LEU A 983 68.102 10.668 1.956 1.00 1.00 C ATOM 421 C LEU A 983 67.515 11.503 0.818 1.00 1.00 C ATOM 422 O LEU A 983 67.904 12.655 0.622 1.00 1.00 O ATOM 423 CB LEU A 983 69.147 9.698 1.394 1.00 1.00 C ATOM 424 CG LEU A 983 69.933 9.059 2.546 1.00 1.00 C ATOM 425 CD1 LEU A 983 70.812 7.933 1.999 1.00 1.00 C ATOM 426 CD2 LEU A 983 70.820 10.106 3.235 1.00 1.00 C ATOM 0 H LEU A 983 67.136 8.909 2.584 1.00 1.00 H new ATOM 0 HA LEU A 983 68.575 11.338 2.674 1.00 1.00 H new ATOM 0 HB2 LEU A 983 68.658 8.925 0.802 1.00 1.00 H new ATOM 0 HB3 LEU A 983 69.827 10.228 0.727 1.00 1.00 H new ATOM 0 HG LEU A 983 69.227 8.659 3.274 1.00 1.00 H new ATOM 0 HD11 LEU A 983 71.371 7.478 2.817 1.00 1.00 H new ATOM 0 HD12 LEU A 983 70.184 7.179 1.525 1.00 1.00 H new ATOM 0 HD13 LEU A 983 71.508 8.339 1.265 1.00 1.00 H new ATOM 0 HD21 LEU A 983 71.371 9.637 4.050 1.00 1.00 H new ATOM 0 HD22 LEU A 983 71.523 10.519 2.512 1.00 1.00 H new ATOM 0 HD23 LEU A 983 70.196 10.906 3.633 1.00 1.00 H new ATOM 438 N VAL A 984 66.588 10.919 0.063 1.00 1.00 N ATOM 439 CA VAL A 984 65.975 11.625 -1.060 1.00 1.00 C ATOM 440 C VAL A 984 65.212 12.858 -0.584 1.00 1.00 C ATOM 441 O VAL A 984 65.336 13.937 -1.165 1.00 1.00 O ATOM 442 CB VAL A 984 65.019 10.690 -1.802 1.00 1.00 C ATOM 443 CG1 VAL A 984 64.224 11.484 -2.839 1.00 1.00 C ATOM 444 CG2 VAL A 984 65.824 9.597 -2.510 1.00 1.00 C ATOM 0 H VAL A 984 66.247 9.968 0.206 1.00 1.00 H new ATOM 0 HA VAL A 984 66.771 11.948 -1.731 1.00 1.00 H new ATOM 0 HB VAL A 984 64.332 10.236 -1.088 1.00 1.00 H new ATOM 0 HG11 VAL A 984 63.544 10.815 -3.366 1.00 1.00 H new ATOM 0 HG12 VAL A 984 63.650 12.264 -2.338 1.00 1.00 H new ATOM 0 HG13 VAL A 984 64.910 11.940 -3.553 1.00 1.00 H new ATOM 0 HG21 VAL A 984 65.144 8.930 -3.039 1.00 1.00 H new ATOM 0 HG22 VAL A 984 66.511 10.054 -3.222 1.00 1.00 H new ATOM 0 HG23 VAL A 984 66.391 9.028 -1.773 1.00 1.00 H new ATOM 454 N LEU A 985 64.428 12.697 0.474 1.00 1.00 N ATOM 455 CA LEU A 985 63.655 13.810 1.013 1.00 1.00 C ATOM 456 C LEU A 985 64.587 14.906 1.516 1.00 1.00 C ATOM 457 O LEU A 985 64.331 16.088 1.300 1.00 1.00 O ATOM 458 CB LEU A 985 62.767 13.324 2.161 1.00 1.00 C ATOM 459 CG LEU A 985 61.658 12.421 1.610 1.00 1.00 C ATOM 460 CD1 LEU A 985 60.918 11.761 2.774 1.00 1.00 C ATOM 461 CD2 LEU A 985 60.665 13.240 0.773 1.00 1.00 C ATOM 0 H LEU A 985 64.310 11.815 0.973 1.00 1.00 H new ATOM 0 HA LEU A 985 63.027 14.214 0.219 1.00 1.00 H new ATOM 0 HB2 LEU A 985 63.365 12.778 2.890 1.00 1.00 H new ATOM 0 HB3 LEU A 985 62.330 14.176 2.682 1.00 1.00 H new ATOM 0 HG LEU A 985 62.107 11.658 0.974 1.00 1.00 H new ATOM 0 HD11 LEU A 985 60.128 11.118 2.385 1.00 1.00 H new ATOM 0 HD12 LEU A 985 61.618 11.164 3.358 1.00 1.00 H new ATOM 0 HD13 LEU A 985 60.479 12.530 3.409 1.00 1.00 H new ATOM 0 HD21 LEU A 985 59.884 12.583 0.389 1.00 1.00 H new ATOM 0 HD22 LEU A 985 60.215 14.013 1.396 1.00 1.00 H new ATOM 0 HD23 LEU A 985 61.190 13.706 -0.061 1.00 1.00 H new ATOM 473 N ALA A 986 65.659 14.516 2.195 1.00 1.00 N ATOM 474 CA ALA A 986 66.593 15.507 2.720 1.00 1.00 C ATOM 475 C ALA A 986 67.229 16.316 1.586 1.00 1.00 C ATOM 476 O ALA A 986 67.388 17.532 1.696 1.00 1.00 O ATOM 477 CB ALA A 986 67.692 14.808 3.527 1.00 1.00 C ATOM 0 H ALA A 986 65.901 13.545 2.392 1.00 1.00 H new ATOM 0 HA ALA A 986 66.039 16.189 3.365 1.00 1.00 H new ATOM 0 HB1 ALA A 986 68.387 15.552 3.917 1.00 1.00 H new ATOM 0 HB2 ALA A 986 67.243 14.262 4.356 1.00 1.00 H new ATOM 0 HB3 ALA A 986 68.230 14.112 2.883 1.00 1.00 H new ATOM 483 N MET A 987 67.592 15.636 0.503 1.00 1.00 N ATOM 484 CA MET A 987 68.215 16.316 -0.634 1.00 1.00 C ATOM 485 C MET A 987 67.240 17.301 -1.281 1.00 1.00 C ATOM 486 O MET A 987 67.615 18.419 -1.632 1.00 1.00 O ATOM 487 CB MET A 987 68.666 15.287 -1.671 1.00 1.00 C ATOM 488 CG MET A 987 69.917 14.567 -1.162 1.00 1.00 C ATOM 489 SD MET A 987 70.439 13.323 -2.368 1.00 1.00 S ATOM 490 CE MET A 987 71.667 12.496 -1.324 1.00 1.00 C ATOM 0 H MET A 987 67.469 14.630 0.386 1.00 1.00 H new ATOM 0 HA MET A 987 69.079 16.871 -0.269 1.00 1.00 H new ATOM 0 HB2 MET A 987 67.869 14.567 -1.856 1.00 1.00 H new ATOM 0 HB3 MET A 987 68.877 15.779 -2.620 1.00 1.00 H new ATOM 0 HG2 MET A 987 70.720 15.286 -0.996 1.00 1.00 H new ATOM 0 HG3 MET A 987 69.710 14.093 -0.203 1.00 1.00 H new ATOM 0 HE1 MET A 987 72.124 11.677 -1.879 1.00 1.00 H new ATOM 0 HE2 MET A 987 72.436 13.211 -1.032 1.00 1.00 H new ATOM 0 HE3 MET A 987 71.180 12.102 -0.432 1.00 1.00 H new ATOM 500 N TRP A 988 65.987 16.879 -1.422 1.00 1.00 N ATOM 501 CA TRP A 988 64.965 17.738 -2.020 1.00 1.00 C ATOM 502 C TRP A 988 64.731 18.970 -1.147 1.00 1.00 C ATOM 503 O TRP A 988 64.609 20.082 -1.658 1.00 1.00 O ATOM 504 CB TRP A 988 63.654 16.957 -2.172 1.00 1.00 C ATOM 505 CG TRP A 988 62.529 17.896 -2.494 1.00 1.00 C ATOM 506 CD1 TRP A 988 62.642 19.044 -3.208 1.00 1.00 C ATOM 507 CD2 TRP A 988 61.126 17.785 -2.121 1.00 1.00 C ATOM 508 NE1 TRP A 988 61.394 19.639 -3.297 1.00 1.00 N ATOM 509 CE2 TRP A 988 60.428 18.901 -2.641 1.00 1.00 C ATOM 510 CE3 TRP A 988 60.395 16.831 -1.388 1.00 1.00 C ATOM 511 CZ2 TRP A 988 59.055 19.066 -2.441 1.00 1.00 C ATOM 512 CZ3 TRP A 988 59.015 16.993 -1.184 1.00 1.00 C ATOM 513 CH2 TRP A 988 58.347 18.108 -1.710 1.00 1.00 C ATOM 0 H TRP A 988 65.655 15.958 -1.135 1.00 1.00 H new ATOM 0 HA TRP A 988 65.310 18.061 -3.002 1.00 1.00 H new ATOM 0 HB2 TRP A 988 63.754 16.213 -2.962 1.00 1.00 H new ATOM 0 HB3 TRP A 988 63.435 16.417 -1.251 1.00 1.00 H new ATOM 0 HD1 TRP A 988 63.555 19.431 -3.637 1.00 1.00 H new ATOM 0 HE1 TRP A 988 61.211 20.515 -3.787 1.00 1.00 H new ATOM 0 HE3 TRP A 988 60.899 15.968 -0.979 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 58.545 19.927 -2.848 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 58.465 16.255 -0.619 1.00 1.00 H new ATOM 0 HH2 TRP A 988 57.285 18.227 -1.550 1.00 1.00 H new ATOM 524 N LYS A 989 64.645 18.778 0.160 1.00 1.00 N ATOM 525 CA LYS A 989 64.393 19.893 1.065 1.00 1.00 C ATOM 526 C LYS A 989 65.515 20.923 1.007 1.00 1.00 C ATOM 527 O LYS A 989 65.283 22.125 1.153 1.00 1.00 O ATOM 528 CB LYS A 989 64.252 19.373 2.497 1.00 1.00 C ATOM 529 CG LYS A 989 63.851 20.520 3.427 1.00 1.00 C ATOM 530 CD LYS A 989 63.654 19.978 4.843 1.00 1.00 C ATOM 531 CE LYS A 989 63.230 21.119 5.770 1.00 1.00 C ATOM 532 NZ LYS A 989 63.031 20.588 7.148 1.00 1.00 N ATOM 0 H LYS A 989 64.744 17.871 0.616 1.00 1.00 H new ATOM 0 HA LYS A 989 63.469 20.378 0.751 1.00 1.00 H new ATOM 0 HB2 LYS A 989 63.502 18.583 2.535 1.00 1.00 H new ATOM 0 HB3 LYS A 989 65.193 18.935 2.829 1.00 1.00 H new ATOM 0 HG2 LYS A 989 64.621 21.291 3.425 1.00 1.00 H new ATOM 0 HG3 LYS A 989 62.932 20.986 3.073 1.00 1.00 H new ATOM 0 HD2 LYS A 989 62.896 19.195 4.842 1.00 1.00 H new ATOM 0 HD3 LYS A 989 64.578 19.527 5.203 1.00 1.00 H new ATOM 0 HE2 LYS A 989 63.991 21.900 5.775 1.00 1.00 H new ATOM 0 HE3 LYS A 989 62.308 21.574 5.407 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 62.743 21.362 7.780 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 62.291 19.858 7.135 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 63.921 20.173 7.492 1.00 1.00 H new ATOM 546 N VAL A 990 66.732 20.439 0.804 1.00 1.00 N ATOM 547 CA VAL A 990 67.887 21.317 0.739 1.00 1.00 C ATOM 548 C VAL A 990 67.917 21.994 -0.609 1.00 1.00 C ATOM 549 O VAL A 990 68.790 22.815 -0.890 1.00 1.00 O ATOM 550 CB VAL A 990 69.172 20.512 0.946 1.00 1.00 C ATOM 551 CG1 VAL A 990 70.381 21.451 0.929 1.00 1.00 C ATOM 552 CG2 VAL A 990 69.112 19.791 2.294 1.00 1.00 C ATOM 0 H VAL A 990 66.943 19.448 0.682 1.00 1.00 H new ATOM 0 HA VAL A 990 67.816 22.069 1.525 1.00 1.00 H new ATOM 0 HB VAL A 990 69.269 19.782 0.143 1.00 1.00 H new ATOM 0 HG11 VAL A 990 71.293 20.873 1.077 1.00 1.00 H new ATOM 0 HG12 VAL A 990 70.429 21.965 -0.031 1.00 1.00 H new ATOM 0 HG13 VAL A 990 70.283 22.185 1.729 1.00 1.00 H new ATOM 0 HG21 VAL A 990 70.027 19.218 2.441 1.00 1.00 H new ATOM 0 HG22 VAL A 990 69.010 20.524 3.094 1.00 1.00 H new ATOM 0 HG23 VAL A 990 68.256 19.117 2.308 1.00 1.00 H new ATOM 562 N GLY A 991 66.951 21.648 -1.446 1.00 1.00 N ATOM 563 CA GLY A 991 66.859 22.222 -2.764 1.00 1.00 C ATOM 564 C GLY A 991 67.987 21.692 -3.614 1.00 1.00 C ATOM 565 O GLY A 991 68.258 22.224 -4.691 1.00 1.00 O ATOM 0 H GLY A 991 66.221 20.970 -1.228 1.00 1.00 H new ATOM 0 HA2 GLY A 991 65.899 21.973 -3.216 1.00 1.00 H new ATOM 0 HA3 GLY A 991 66.912 23.309 -2.705 1.00 1.00 H new ATOM 569 N PHE A 992 68.677 20.672 -3.128 1.00 1.00 N ATOM 570 CA PHE A 992 69.806 20.121 -3.847 1.00 1.00 C ATOM 571 C PHE A 992 69.353 19.763 -5.264 1.00 1.00 C ATOM 572 O PHE A 992 70.014 20.096 -6.246 1.00 1.00 O ATOM 573 CB PHE A 992 70.287 18.861 -3.109 1.00 1.00 C ATOM 574 CG PHE A 992 71.771 18.591 -3.321 1.00 1.00 C ATOM 575 CD1 PHE A 992 72.451 19.018 -4.474 1.00 1.00 C ATOM 576 CD2 PHE A 992 72.472 17.897 -2.325 1.00 1.00 C ATOM 577 CE1 PHE A 992 73.818 18.752 -4.621 1.00 1.00 C ATOM 578 CE2 PHE A 992 73.838 17.631 -2.476 1.00 1.00 C ATOM 579 CZ PHE A 992 74.510 18.059 -3.624 1.00 1.00 C ATOM 0 H PHE A 992 68.473 20.213 -2.241 1.00 1.00 H new ATOM 0 HA PHE A 992 70.623 20.841 -3.901 1.00 1.00 H new ATOM 0 HB2 PHE A 992 70.090 18.971 -2.043 1.00 1.00 H new ATOM 0 HB3 PHE A 992 69.712 18.001 -3.452 1.00 1.00 H new ATOM 0 HD1 PHE A 992 71.919 19.552 -5.248 1.00 1.00 H new ATOM 0 HD2 PHE A 992 71.955 17.566 -1.436 1.00 1.00 H new ATOM 0 HE1 PHE A 992 74.339 19.083 -5.507 1.00 1.00 H new ATOM 0 HE2 PHE A 992 74.372 17.095 -1.705 1.00 1.00 H new ATOM 0 HZ PHE A 992 75.564 17.854 -3.741 1.00 1.00 H new ATOM 589 N PHE A 993 68.190 19.122 -5.372 1.00 1.00 N ATOM 590 CA PHE A 993 67.674 18.783 -6.699 1.00 1.00 C ATOM 591 C PHE A 993 66.859 19.951 -7.265 1.00 1.00 C ATOM 592 O PHE A 993 66.554 19.982 -8.457 1.00 1.00 O ATOM 593 CB PHE A 993 66.808 17.527 -6.652 1.00 1.00 C ATOM 594 CG PHE A 993 67.685 16.317 -6.430 1.00 1.00 C ATOM 595 CD1 PHE A 993 68.527 15.865 -7.454 1.00 1.00 C ATOM 596 CD2 PHE A 993 67.659 15.649 -5.200 1.00 1.00 C ATOM 597 CE1 PHE A 993 69.341 14.745 -7.249 1.00 1.00 C ATOM 598 CE2 PHE A 993 68.474 14.529 -4.995 1.00 1.00 C ATOM 599 CZ PHE A 993 69.315 14.077 -6.020 1.00 1.00 C ATOM 0 H PHE A 993 67.604 18.835 -4.588 1.00 1.00 H new ATOM 0 HA PHE A 993 68.527 18.588 -7.348 1.00 1.00 H new ATOM 0 HB2 PHE A 993 66.074 17.609 -5.851 1.00 1.00 H new ATOM 0 HB3 PHE A 993 66.253 17.421 -7.584 1.00 1.00 H new ATOM 0 HD1 PHE A 993 68.548 16.381 -8.402 1.00 1.00 H new ATOM 0 HD2 PHE A 993 67.011 15.997 -4.410 1.00 1.00 H new ATOM 0 HE1 PHE A 993 69.989 14.396 -8.039 1.00 1.00 H new ATOM 0 HE2 PHE A 993 68.454 14.013 -4.046 1.00 1.00 H new ATOM 0 HZ PHE A 993 69.943 13.213 -5.862 1.00 1.00 H new ATOM 804 N ASP B 692 76.647 -15.997 6.838 1.00 1.00 N ATOM 805 CA ASP B 692 76.030 -15.481 8.056 1.00 1.00 C ATOM 806 C ASP B 692 74.846 -14.571 7.721 1.00 1.00 C ATOM 807 O ASP B 692 74.869 -13.825 6.739 1.00 1.00 O ATOM 808 CB ASP B 692 77.061 -14.700 8.866 1.00 1.00 C ATOM 809 CG ASP B 692 78.079 -15.655 9.484 1.00 1.00 C ATOM 810 OD1 ASP B 692 77.825 -16.848 9.487 1.00 1.00 O ATOM 811 OD2 ASP B 692 79.104 -15.176 9.936 1.00 1.00 O ATOM 0 HA ASP B 692 75.666 -16.325 8.642 1.00 1.00 H new ATOM 0 HB2 ASP B 692 77.569 -13.981 8.224 1.00 1.00 H new ATOM 0 HB3 ASP B 692 76.562 -14.131 9.651 1.00 1.00 H new ATOM 816 N ILE B 693 73.800 -14.671 8.533 1.00 1.00 N ATOM 817 CA ILE B 693 72.572 -13.909 8.330 1.00 1.00 C ATOM 818 C ILE B 693 72.839 -12.403 8.390 1.00 1.00 C ATOM 819 O ILE B 693 72.266 -11.628 7.614 1.00 1.00 O ATOM 820 CB ILE B 693 71.550 -14.286 9.410 1.00 1.00 C ATOM 821 CG1 ILE B 693 71.100 -15.733 9.196 1.00 1.00 C ATOM 822 CG2 ILE B 693 70.330 -13.361 9.327 1.00 1.00 C ATOM 823 CD1 ILE B 693 70.311 -16.206 10.416 1.00 1.00 C ATOM 0 H ILE B 693 73.778 -15.282 9.350 1.00 1.00 H new ATOM 0 HA ILE B 693 72.180 -14.151 7.342 1.00 1.00 H new ATOM 0 HB ILE B 693 72.013 -14.181 10.391 1.00 1.00 H new ATOM 0 HG12 ILE B 693 70.483 -15.805 8.300 1.00 1.00 H new ATOM 0 HG13 ILE B 693 71.967 -16.375 9.038 1.00 1.00 H new ATOM 0 HG21 ILE B 693 69.611 -13.637 10.098 1.00 1.00 H new ATOM 0 HG22 ILE B 693 70.645 -12.329 9.478 1.00 1.00 H new ATOM 0 HG23 ILE B 693 69.865 -13.459 8.346 1.00 1.00 H new ATOM 0 HD11 ILE B 693 69.990 -17.237 10.265 1.00 1.00 H new ATOM 0 HD12 ILE B 693 70.943 -16.149 11.302 1.00 1.00 H new ATOM 0 HD13 ILE B 693 69.436 -15.570 10.553 1.00 1.00 H new ATOM 835 N LEU B 694 73.670 -11.972 9.330 1.00 1.00 N ATOM 836 CA LEU B 694 73.963 -10.542 9.457 1.00 1.00 C ATOM 837 C LEU B 694 74.672 -10.018 8.202 1.00 1.00 C ATOM 838 O LEU B 694 74.386 -8.924 7.715 1.00 1.00 O ATOM 839 CB LEU B 694 74.829 -10.267 10.688 1.00 1.00 C ATOM 840 CG LEU B 694 73.939 -10.203 11.927 1.00 1.00 C ATOM 841 CD1 LEU B 694 73.239 -11.551 12.118 1.00 1.00 C ATOM 842 CD2 LEU B 694 74.804 -9.908 13.154 1.00 1.00 C ATOM 0 H LEU B 694 74.146 -12.572 10.004 1.00 1.00 H new ATOM 0 HA LEU B 694 73.013 -10.021 9.572 1.00 1.00 H new ATOM 0 HB2 LEU B 694 75.577 -11.052 10.803 1.00 1.00 H new ATOM 0 HB3 LEU B 694 75.369 -9.328 10.565 1.00 1.00 H new ATOM 0 HG LEU B 694 73.194 -9.417 11.803 1.00 1.00 H new ATOM 0 HD11 LEU B 694 72.603 -11.509 13.002 1.00 1.00 H new ATOM 0 HD12 LEU B 694 72.629 -11.772 11.242 1.00 1.00 H new ATOM 0 HD13 LEU B 694 73.986 -12.334 12.246 1.00 1.00 H new ATOM 0 HD21 LEU B 694 74.173 -9.861 14.041 1.00 1.00 H new ATOM 0 HD22 LEU B 694 75.544 -10.699 13.276 1.00 1.00 H new ATOM 0 HD23 LEU B 694 75.312 -8.953 13.020 1.00 1.00 H new ATOM 854 N VAL B 695 75.605 -10.811 7.691 1.00 1.00 N ATOM 855 CA VAL B 695 76.371 -10.426 6.503 1.00 1.00 C ATOM 856 C VAL B 695 75.467 -10.278 5.283 1.00 1.00 C ATOM 857 O VAL B 695 75.582 -9.314 4.528 1.00 1.00 O ATOM 858 CB VAL B 695 77.454 -11.474 6.215 1.00 1.00 C ATOM 859 CG1 VAL B 695 78.121 -11.171 4.871 1.00 1.00 C ATOM 860 CG2 VAL B 695 78.513 -11.447 7.319 1.00 1.00 C ATOM 0 H VAL B 695 75.852 -11.723 8.076 1.00 1.00 H new ATOM 0 HA VAL B 695 76.837 -9.461 6.704 1.00 1.00 H new ATOM 0 HB VAL B 695 76.991 -12.460 6.181 1.00 1.00 H new ATOM 0 HG11 VAL B 695 78.890 -11.917 4.670 1.00 1.00 H new ATOM 0 HG12 VAL B 695 77.373 -11.198 4.079 1.00 1.00 H new ATOM 0 HG13 VAL B 695 78.577 -10.181 4.906 1.00 1.00 H new ATOM 0 HG21 VAL B 695 79.278 -12.194 7.107 1.00 1.00 H new ATOM 0 HG22 VAL B 695 78.971 -10.459 7.359 1.00 1.00 H new ATOM 0 HG23 VAL B 695 78.045 -11.669 8.278 1.00 1.00 H new ATOM 870 N VAL B 696 74.571 -11.238 5.086 1.00 1.00 N ATOM 871 CA VAL B 696 73.666 -11.186 3.948 1.00 1.00 C ATOM 872 C VAL B 696 72.738 -9.978 4.051 1.00 1.00 C ATOM 873 O VAL B 696 72.510 -9.267 3.073 1.00 1.00 O ATOM 874 CB VAL B 696 72.824 -12.467 3.887 1.00 1.00 C ATOM 875 CG1 VAL B 696 71.749 -12.322 2.809 1.00 1.00 C ATOM 876 CG2 VAL B 696 73.718 -13.658 3.544 1.00 1.00 C ATOM 0 H VAL B 696 74.453 -12.051 5.691 1.00 1.00 H new ATOM 0 HA VAL B 696 74.264 -11.097 3.041 1.00 1.00 H new ATOM 0 HB VAL B 696 72.354 -12.631 4.857 1.00 1.00 H new ATOM 0 HG11 VAL B 696 71.151 -13.233 2.766 1.00 1.00 H new ATOM 0 HG12 VAL B 696 71.105 -11.476 3.049 1.00 1.00 H new ATOM 0 HG13 VAL B 696 72.224 -12.154 1.842 1.00 1.00 H new ATOM 0 HG21 VAL B 696 73.115 -14.565 3.502 1.00 1.00 H new ATOM 0 HG22 VAL B 696 74.191 -13.491 2.576 1.00 1.00 H new ATOM 0 HG23 VAL B 696 74.487 -13.768 4.309 1.00 1.00 H new ATOM 886 N LEU B 697 72.182 -9.767 5.241 1.00 1.00 N ATOM 887 CA LEU B 697 71.256 -8.661 5.456 1.00 1.00 C ATOM 888 C LEU B 697 71.926 -7.308 5.237 1.00 1.00 C ATOM 889 O LEU B 697 71.352 -6.421 4.608 1.00 1.00 O ATOM 890 CB LEU B 697 70.693 -8.740 6.880 1.00 1.00 C ATOM 891 CG LEU B 697 69.734 -7.566 7.143 1.00 1.00 C ATOM 892 CD1 LEU B 697 68.573 -8.056 8.008 1.00 1.00 C ATOM 893 CD2 LEU B 697 70.457 -6.434 7.895 1.00 1.00 C ATOM 0 H LEU B 697 72.355 -10.343 6.065 1.00 1.00 H new ATOM 0 HA LEU B 697 70.449 -8.749 4.728 1.00 1.00 H new ATOM 0 HB2 LEU B 697 70.168 -9.685 7.018 1.00 1.00 H new ATOM 0 HB3 LEU B 697 71.509 -8.720 7.602 1.00 1.00 H new ATOM 0 HG LEU B 697 69.373 -7.189 6.186 1.00 1.00 H new ATOM 0 HD11 LEU B 697 67.888 -7.230 8.199 1.00 1.00 H new ATOM 0 HD12 LEU B 697 68.043 -8.854 7.488 1.00 1.00 H new ATOM 0 HD13 LEU B 697 68.959 -8.434 8.955 1.00 1.00 H new ATOM 0 HD21 LEU B 697 69.762 -5.613 8.072 1.00 1.00 H new ATOM 0 HD22 LEU B 697 70.826 -6.809 8.850 1.00 1.00 H new ATOM 0 HD23 LEU B 697 71.296 -6.077 7.297 1.00 1.00 H new ATOM 905 N LEU B 698 73.140 -7.159 5.754 1.00 1.00 N ATOM 906 CA LEU B 698 73.876 -5.905 5.600 1.00 1.00 C ATOM 907 C LEU B 698 74.188 -5.644 4.133 1.00 1.00 C ATOM 908 O LEU B 698 74.055 -4.520 3.646 1.00 1.00 O ATOM 909 CB LEU B 698 75.179 -5.948 6.407 1.00 1.00 C ATOM 910 CG LEU B 698 74.856 -5.901 7.906 1.00 1.00 C ATOM 911 CD1 LEU B 698 76.119 -6.199 8.717 1.00 1.00 C ATOM 912 CD2 LEU B 698 74.323 -4.512 8.291 1.00 1.00 C ATOM 0 H LEU B 698 73.633 -7.881 6.279 1.00 1.00 H new ATOM 0 HA LEU B 698 73.251 -5.095 5.976 1.00 1.00 H new ATOM 0 HB2 LEU B 698 75.734 -6.856 6.172 1.00 1.00 H new ATOM 0 HB3 LEU B 698 75.815 -5.106 6.135 1.00 1.00 H new ATOM 0 HG LEU B 698 74.095 -6.650 8.123 1.00 1.00 H new ATOM 0 HD11 LEU B 698 75.885 -6.164 9.781 1.00 1.00 H new ATOM 0 HD12 LEU B 698 76.491 -7.191 8.459 1.00 1.00 H new ATOM 0 HD13 LEU B 698 76.882 -5.455 8.489 1.00 1.00 H new ATOM 0 HD21 LEU B 698 74.097 -4.492 9.357 1.00 1.00 H new ATOM 0 HD22 LEU B 698 75.077 -3.758 8.065 1.00 1.00 H new ATOM 0 HD23 LEU B 698 73.416 -4.300 7.724 1.00 1.00 H new ATOM 924 N SER B 699 74.601 -6.697 3.437 1.00 1.00 N ATOM 925 CA SER B 699 74.936 -6.593 2.024 1.00 1.00 C ATOM 926 C SER B 699 73.718 -6.164 1.195 1.00 1.00 C ATOM 927 O SER B 699 73.847 -5.373 0.256 1.00 1.00 O ATOM 928 CB SER B 699 75.449 -7.948 1.537 1.00 1.00 C ATOM 929 OG SER B 699 74.484 -8.943 1.843 1.00 1.00 O ATOM 0 H SER B 699 74.712 -7.632 3.829 1.00 1.00 H new ATOM 0 HA SER B 699 75.707 -5.833 1.899 1.00 1.00 H new ATOM 0 HB2 SER B 699 75.631 -7.918 0.463 1.00 1.00 H new ATOM 0 HB3 SER B 699 76.399 -8.185 2.015 1.00 1.00 H new ATOM 0 HG SER B 699 73.754 -8.543 2.361 1.00 1.00 H new ATOM 935 N VAL B 700 72.539 -6.681 1.538 1.00 1.00 N ATOM 936 CA VAL B 700 71.324 -6.315 0.805 1.00 1.00 C ATOM 937 C VAL B 700 71.024 -4.830 0.995 1.00 1.00 C ATOM 938 O VAL B 700 70.721 -4.115 0.044 1.00 1.00 O ATOM 939 CB VAL B 700 70.135 -7.143 1.299 1.00 1.00 C ATOM 940 CG1 VAL B 700 68.846 -6.638 0.652 1.00 1.00 C ATOM 941 CG2 VAL B 700 70.336 -8.610 0.923 1.00 1.00 C ATOM 0 H VAL B 700 72.398 -7.341 2.302 1.00 1.00 H new ATOM 0 HA VAL B 700 71.485 -6.518 -0.254 1.00 1.00 H new ATOM 0 HB VAL B 700 70.064 -7.046 2.382 1.00 1.00 H new ATOM 0 HG11 VAL B 700 68.004 -7.231 1.008 1.00 1.00 H new ATOM 0 HG12 VAL B 700 68.691 -5.592 0.918 1.00 1.00 H new ATOM 0 HG13 VAL B 700 68.923 -6.730 -0.431 1.00 1.00 H new ATOM 0 HG21 VAL B 700 69.487 -9.196 1.277 1.00 1.00 H new ATOM 0 HG22 VAL B 700 70.413 -8.701 -0.160 1.00 1.00 H new ATOM 0 HG23 VAL B 700 71.251 -8.982 1.384 1.00 1.00 H new ATOM 951 N MET B 701 71.123 -4.381 2.237 1.00 1.00 N ATOM 952 CA MET B 701 70.858 -2.980 2.538 1.00 1.00 C ATOM 953 C MET B 701 71.853 -2.079 1.820 1.00 1.00 C ATOM 954 O MET B 701 71.470 -1.045 1.274 1.00 1.00 O ATOM 955 CB MET B 701 70.899 -2.727 4.045 1.00 1.00 C ATOM 956 CG MET B 701 69.586 -3.186 4.673 1.00 1.00 C ATOM 957 SD MET B 701 69.693 -3.044 6.477 1.00 1.00 S ATOM 958 CE MET B 701 69.705 -1.234 6.580 1.00 1.00 C ATOM 0 H MET B 701 71.380 -4.954 3.041 1.00 1.00 H new ATOM 0 HA MET B 701 69.856 -2.743 2.181 1.00 1.00 H new ATOM 0 HB2 MET B 701 71.736 -3.264 4.492 1.00 1.00 H new ATOM 0 HB3 MET B 701 71.058 -1.667 4.243 1.00 1.00 H new ATOM 0 HG2 MET B 701 68.761 -2.580 4.299 1.00 1.00 H new ATOM 0 HG3 MET B 701 69.377 -4.218 4.391 1.00 1.00 H new ATOM 0 HE1 MET B 701 69.362 -0.923 7.567 1.00 1.00 H new ATOM 0 HE2 MET B 701 70.718 -0.867 6.416 1.00 1.00 H new ATOM 0 HE3 MET B 701 69.042 -0.822 5.819 1.00 1.00 H new ATOM 968 N GLY B 702 73.118 -2.483 1.774 1.00 1.00 N ATOM 969 CA GLY B 702 74.135 -1.705 1.072 1.00 1.00 C ATOM 970 C GLY B 702 73.830 -1.653 -0.428 1.00 1.00 C ATOM 971 O GLY B 702 73.976 -0.611 -1.069 1.00 1.00 O ATOM 0 H GLY B 702 73.463 -3.338 2.211 1.00 1.00 H new ATOM 0 HA2 GLY B 702 74.171 -0.694 1.477 1.00 1.00 H new ATOM 0 HA3 GLY B 702 75.117 -2.149 1.234 1.00 1.00 H new ATOM 975 N ALA B 703 73.416 -2.798 -0.984 1.00 1.00 N ATOM 976 CA ALA B 703 73.101 -2.897 -2.407 1.00 1.00 C ATOM 977 C ALA B 703 71.961 -1.956 -2.758 1.00 1.00 C ATOM 978 O ALA B 703 71.963 -1.327 -3.813 1.00 1.00 O ATOM 979 CB ALA B 703 72.670 -4.331 -2.743 1.00 1.00 C ATOM 0 H ALA B 703 73.292 -3.668 -0.466 1.00 1.00 H new ATOM 0 HA ALA B 703 73.990 -2.628 -2.978 1.00 1.00 H new ATOM 0 HB1 ALA B 703 72.436 -4.401 -3.805 1.00 1.00 H new ATOM 0 HB2 ALA B 703 73.480 -5.020 -2.504 1.00 1.00 H new ATOM 0 HB3 ALA B 703 71.787 -4.592 -2.159 1.00 1.00 H new ATOM 985 N ILE B 704 70.997 -1.854 -1.862 1.00 1.00 N ATOM 986 CA ILE B 704 69.871 -0.969 -2.111 1.00 1.00 C ATOM 987 C ILE B 704 70.364 0.461 -2.225 1.00 1.00 C ATOM 988 O ILE B 704 69.915 1.208 -3.100 1.00 1.00 O ATOM 989 CB ILE B 704 68.821 -1.031 -1.004 1.00 1.00 C ATOM 990 CG1 ILE B 704 68.094 -2.388 -0.987 1.00 1.00 C ATOM 991 CG2 ILE B 704 67.824 0.102 -1.206 1.00 1.00 C ATOM 992 CD1 ILE B 704 67.415 -2.683 -2.343 1.00 1.00 C ATOM 0 H ILE B 704 70.968 -2.358 -0.976 1.00 1.00 H new ATOM 0 HA ILE B 704 69.405 -1.301 -3.039 1.00 1.00 H new ATOM 0 HB ILE B 704 69.321 -0.921 -0.041 1.00 1.00 H new ATOM 0 HG12 ILE B 704 68.806 -3.180 -0.755 1.00 1.00 H new ATOM 0 HG13 ILE B 704 67.345 -2.391 -0.195 1.00 1.00 H new ATOM 0 HG21 ILE B 704 67.069 0.067 -0.420 1.00 1.00 H new ATOM 0 HG22 ILE B 704 68.346 1.058 -1.165 1.00 1.00 H new ATOM 0 HG23 ILE B 704 67.342 -0.007 -2.177 1.00 1.00 H new ATOM 0 HD11 ILE B 704 66.911 -3.649 -2.295 1.00 1.00 H new ATOM 0 HD12 ILE B 704 66.685 -1.903 -2.562 1.00 1.00 H new ATOM 0 HD13 ILE B 704 68.169 -2.705 -3.130 1.00 1.00 H new ATOM 1004 N LEU B 705 71.287 0.841 -1.339 1.00 1.00 N ATOM 1005 CA LEU B 705 71.820 2.192 -1.375 1.00 1.00 C ATOM 1006 C LEU B 705 72.534 2.457 -2.711 1.00 1.00 C ATOM 1007 O LEU B 705 72.354 3.511 -3.325 1.00 1.00 O ATOM 1008 CB LEU B 705 72.828 2.416 -0.236 1.00 1.00 C ATOM 1009 CG LEU B 705 72.135 2.905 1.047 1.00 1.00 C ATOM 1010 CD1 LEU B 705 71.301 1.777 1.662 1.00 1.00 C ATOM 1011 CD2 LEU B 705 73.197 3.352 2.057 1.00 1.00 C ATOM 0 H LEU B 705 71.670 0.244 -0.606 1.00 1.00 H new ATOM 0 HA LEU B 705 70.979 2.876 -1.260 1.00 1.00 H new ATOM 0 HB2 LEU B 705 73.359 1.486 -0.031 1.00 1.00 H new ATOM 0 HB3 LEU B 705 73.574 3.147 -0.548 1.00 1.00 H new ATOM 0 HG LEU B 705 71.479 3.740 0.799 1.00 1.00 H new ATOM 0 HD11 LEU B 705 70.816 2.136 2.569 1.00 1.00 H new ATOM 0 HD12 LEU B 705 70.543 1.455 0.948 1.00 1.00 H new ATOM 0 HD13 LEU B 705 71.950 0.936 1.906 1.00 1.00 H new ATOM 0 HD21 LEU B 705 72.709 3.699 2.968 1.00 1.00 H new ATOM 0 HD22 LEU B 705 73.851 2.512 2.293 1.00 1.00 H new ATOM 0 HD23 LEU B 705 73.787 4.163 1.630 1.00 1.00 H new ATOM 1023 N LEU B 706 73.338 1.507 -3.175 1.00 1.00 N ATOM 1024 CA LEU B 706 74.051 1.710 -4.449 1.00 1.00 C ATOM 1025 C LEU B 706 73.057 1.874 -5.605 1.00 1.00 C ATOM 1026 O LEU B 706 73.226 2.742 -6.474 1.00 1.00 O ATOM 1027 CB LEU B 706 74.982 0.518 -4.738 1.00 1.00 C ATOM 1028 CG LEU B 706 75.760 0.732 -6.046 1.00 1.00 C ATOM 1029 CD1 LEU B 706 76.590 2.014 -5.968 1.00 1.00 C ATOM 1030 CD2 LEU B 706 76.683 -0.467 -6.278 1.00 1.00 C ATOM 0 H LEU B 706 73.515 0.615 -2.713 1.00 1.00 H new ATOM 0 HA LEU B 706 74.646 2.619 -4.362 1.00 1.00 H new ATOM 0 HB2 LEU B 706 75.681 0.389 -3.912 1.00 1.00 H new ATOM 0 HB3 LEU B 706 74.396 -0.398 -4.805 1.00 1.00 H new ATOM 0 HG LEU B 706 75.056 0.825 -6.873 1.00 1.00 H new ATOM 0 HD11 LEU B 706 77.135 2.152 -6.902 1.00 1.00 H new ATOM 0 HD12 LEU B 706 75.930 2.866 -5.804 1.00 1.00 H new ATOM 0 HD13 LEU B 706 77.298 1.940 -5.142 1.00 1.00 H new ATOM 0 HD21 LEU B 706 77.239 -0.324 -7.204 1.00 1.00 H new ATOM 0 HD22 LEU B 706 77.381 -0.555 -5.445 1.00 1.00 H new ATOM 0 HD23 LEU B 706 76.087 -1.377 -6.350 1.00 1.00 H new ATOM 1042 N ILE B 707 72.029 1.024 -5.611 1.00 1.00 N ATOM 1043 CA ILE B 707 71.019 1.071 -6.671 1.00 1.00 C ATOM 1044 C ILE B 707 70.260 2.400 -6.670 1.00 1.00 C ATOM 1045 O ILE B 707 70.116 3.038 -7.713 1.00 1.00 O ATOM 1046 CB ILE B 707 70.010 -0.069 -6.471 1.00 1.00 C ATOM 1047 CG1 ILE B 707 70.714 -1.400 -6.716 1.00 1.00 C ATOM 1048 CG2 ILE B 707 68.854 0.085 -7.469 1.00 1.00 C ATOM 1049 CD1 ILE B 707 69.816 -2.544 -6.264 1.00 1.00 C ATOM 0 H ILE B 707 71.874 0.304 -4.905 1.00 1.00 H new ATOM 0 HA ILE B 707 71.536 0.966 -7.625 1.00 1.00 H new ATOM 0 HB ILE B 707 69.616 -0.037 -5.455 1.00 1.00 H new ATOM 0 HG12 ILE B 707 70.952 -1.508 -7.774 1.00 1.00 H new ATOM 0 HG13 ILE B 707 71.658 -1.429 -6.172 1.00 1.00 H new ATOM 0 HG21 ILE B 707 68.139 -0.725 -7.325 1.00 1.00 H new ATOM 0 HG22 ILE B 707 68.357 1.041 -7.305 1.00 1.00 H new ATOM 0 HG23 ILE B 707 69.244 0.049 -8.486 1.00 1.00 H new ATOM 0 HD11 ILE B 707 70.321 -3.494 -6.440 1.00 1.00 H new ATOM 0 HD12 ILE B 707 69.600 -2.439 -5.201 1.00 1.00 H new ATOM 0 HD13 ILE B 707 68.883 -2.519 -6.828 1.00 1.00 H new ATOM 1061 N GLY B 708 69.797 2.832 -5.494 1.00 1.00 N ATOM 1062 CA GLY B 708 69.071 4.102 -5.392 1.00 1.00 C ATOM 1063 C GLY B 708 69.997 5.300 -5.627 1.00 1.00 C ATOM 1064 O GLY B 708 69.605 6.285 -6.248 1.00 1.00 O ATOM 0 H GLY B 708 69.909 2.331 -4.612 1.00 1.00 H new ATOM 0 HA2 GLY B 708 68.261 4.119 -6.121 1.00 1.00 H new ATOM 0 HA3 GLY B 708 68.614 4.182 -4.406 1.00 1.00 H new ATOM 1068 N LEU B 709 71.220 5.221 -5.107 1.00 1.00 N ATOM 1069 CA LEU B 709 72.199 6.295 -5.248 1.00 1.00 C ATOM 1070 C LEU B 709 72.696 6.484 -6.683 1.00 1.00 C ATOM 1071 O LEU B 709 72.972 7.605 -7.096 1.00 1.00 O ATOM 1072 CB LEU B 709 73.385 6.047 -4.321 1.00 1.00 C ATOM 1073 CG LEU B 709 72.957 6.250 -2.856 1.00 1.00 C ATOM 1074 CD1 LEU B 709 74.064 5.741 -1.928 1.00 1.00 C ATOM 1075 CD2 LEU B 709 72.704 7.741 -2.576 1.00 1.00 C ATOM 0 H LEU B 709 71.558 4.416 -4.580 1.00 1.00 H new ATOM 0 HA LEU B 709 71.686 7.216 -4.970 1.00 1.00 H new ATOM 0 HB2 LEU B 709 73.762 5.034 -4.462 1.00 1.00 H new ATOM 0 HB3 LEU B 709 74.200 6.728 -4.569 1.00 1.00 H new ATOM 0 HG LEU B 709 72.037 5.694 -2.676 1.00 1.00 H new ATOM 0 HD11 LEU B 709 73.763 5.884 -0.890 1.00 1.00 H new ATOM 0 HD12 LEU B 709 74.235 4.681 -2.114 1.00 1.00 H new ATOM 0 HD13 LEU B 709 74.983 6.296 -2.119 1.00 1.00 H new ATOM 0 HD21 LEU B 709 72.402 7.870 -1.537 1.00 1.00 H new ATOM 0 HD22 LEU B 709 73.617 8.306 -2.761 1.00 1.00 H new ATOM 0 HD23 LEU B 709 71.913 8.105 -3.231 1.00 1.00 H new ATOM 1087 N ALA B 710 72.874 5.392 -7.426 1.00 1.00 N ATOM 1088 CA ALA B 710 73.417 5.502 -8.778 1.00 1.00 C ATOM 1089 C ALA B 710 72.645 6.518 -9.624 1.00 1.00 C ATOM 1090 O ALA B 710 73.246 7.467 -10.131 1.00 1.00 O ATOM 1091 CB ALA B 710 73.449 4.131 -9.465 1.00 1.00 C ATOM 0 H ALA B 710 72.656 4.443 -7.124 1.00 1.00 H new ATOM 0 HA ALA B 710 74.440 5.868 -8.688 1.00 1.00 H new ATOM 0 HB1 ALA B 710 73.857 4.237 -10.470 1.00 1.00 H new ATOM 0 HB2 ALA B 710 74.076 3.450 -8.889 1.00 1.00 H new ATOM 0 HB3 ALA B 710 72.437 3.730 -9.525 1.00 1.00 H new ATOM 1097 N PRO B 711 71.350 6.378 -9.783 1.00 1.00 N ATOM 1098 CA PRO B 711 70.559 7.363 -10.580 1.00 1.00 C ATOM 1099 C PRO B 711 70.777 8.800 -10.103 1.00 1.00 C ATOM 1100 O PRO B 711 70.955 9.715 -10.909 1.00 1.00 O ATOM 1101 CB PRO B 711 69.104 6.953 -10.337 1.00 1.00 C ATOM 1102 CG PRO B 711 69.144 5.521 -9.919 1.00 1.00 C ATOM 1103 CD PRO B 711 70.504 5.287 -9.261 1.00 1.00 C ATOM 0 HA PRO B 711 70.850 7.350 -11.630 1.00 1.00 H new ATOM 0 HB2 PRO B 711 68.648 7.572 -9.565 1.00 1.00 H new ATOM 0 HB3 PRO B 711 68.507 7.079 -11.240 1.00 1.00 H new ATOM 0 HG2 PRO B 711 68.335 5.299 -9.223 1.00 1.00 H new ATOM 0 HG3 PRO B 711 69.013 4.864 -10.779 1.00 1.00 H new ATOM 0 HD2 PRO B 711 70.432 5.324 -8.174 1.00 1.00 H new ATOM 0 HD3 PRO B 711 70.909 4.309 -9.521 1.00 1.00 H new ATOM 1111 N LEU B 712 70.787 8.981 -8.785 1.00 1.00 N ATOM 1112 CA LEU B 712 71.010 10.298 -8.193 1.00 1.00 C ATOM 1113 C LEU B 712 72.418 10.807 -8.492 1.00 1.00 C ATOM 1114 O LEU B 712 72.607 11.985 -8.795 1.00 1.00 O ATOM 1115 CB LEU B 712 70.789 10.237 -6.683 1.00 1.00 C ATOM 1116 CG LEU B 712 69.292 10.364 -6.374 1.00 1.00 C ATOM 1117 CD1 LEU B 712 68.527 9.229 -7.055 1.00 1.00 C ATOM 1118 CD2 LEU B 712 69.080 10.283 -4.860 1.00 1.00 C ATOM 0 H LEU B 712 70.643 8.233 -8.107 1.00 1.00 H new ATOM 0 HA LEU B 712 70.296 10.993 -8.636 1.00 1.00 H new ATOM 0 HB2 LEU B 712 71.173 9.297 -6.287 1.00 1.00 H new ATOM 0 HB3 LEU B 712 71.341 11.039 -6.192 1.00 1.00 H new ATOM 0 HG LEU B 712 68.925 11.320 -6.747 1.00 1.00 H new ATOM 0 HD11 LEU B 712 67.464 9.322 -6.833 1.00 1.00 H new ATOM 0 HD12 LEU B 712 68.679 9.283 -8.133 1.00 1.00 H new ATOM 0 HD13 LEU B 712 68.892 8.271 -6.685 1.00 1.00 H new ATOM 0 HD21 LEU B 712 68.017 10.373 -4.636 1.00 1.00 H new ATOM 0 HD22 LEU B 712 69.449 9.326 -4.492 1.00 1.00 H new ATOM 0 HD23 LEU B 712 69.623 11.093 -4.373 1.00 1.00 H new ATOM 1130 N LEU B 713 73.403 9.915 -8.403 1.00 1.00 N ATOM 1131 CA LEU B 713 74.788 10.295 -8.667 1.00 1.00 C ATOM 1132 C LEU B 713 74.958 10.748 -10.109 1.00 1.00 C ATOM 1133 O LEU B 713 75.652 11.724 -10.379 1.00 1.00 O ATOM 1134 CB LEU B 713 75.732 9.125 -8.372 1.00 1.00 C ATOM 1135 CG LEU B 713 75.803 8.889 -6.858 1.00 1.00 C ATOM 1136 CD1 LEU B 713 76.515 7.564 -6.592 1.00 1.00 C ATOM 1137 CD2 LEU B 713 76.573 10.028 -6.172 1.00 1.00 C ATOM 0 H LEU B 713 73.270 8.935 -8.153 1.00 1.00 H new ATOM 0 HA LEU B 713 75.041 11.126 -8.009 1.00 1.00 H new ATOM 0 HB2 LEU B 713 75.379 8.224 -8.874 1.00 1.00 H new ATOM 0 HB3 LEU B 713 76.726 9.339 -8.764 1.00 1.00 H new ATOM 0 HG LEU B 713 74.791 8.859 -6.455 1.00 1.00 H new ATOM 0 HD11 LEU B 713 76.569 7.389 -5.517 1.00 1.00 H new ATOM 0 HD12 LEU B 713 75.961 6.752 -7.064 1.00 1.00 H new ATOM 0 HD13 LEU B 713 77.523 7.603 -7.005 1.00 1.00 H new ATOM 0 HD21 LEU B 713 76.614 9.845 -5.098 1.00 1.00 H new ATOM 0 HD22 LEU B 713 77.586 10.074 -6.571 1.00 1.00 H new ATOM 0 HD23 LEU B 713 76.066 10.974 -6.359 1.00 1.00 H new ATOM 1149 N ILE B 714 74.320 10.041 -11.035 1.00 1.00 N ATOM 1150 CA ILE B 714 74.417 10.403 -12.441 1.00 1.00 C ATOM 1151 C ILE B 714 73.809 11.782 -12.646 1.00 1.00 C ATOM 1152 O ILE B 714 74.381 12.630 -13.332 1.00 1.00 O ATOM 1153 CB ILE B 714 73.673 9.380 -13.305 1.00 1.00 C ATOM 1154 CG1 ILE B 714 74.391 8.016 -13.248 1.00 1.00 C ATOM 1155 CG2 ILE B 714 73.591 9.878 -14.751 1.00 1.00 C ATOM 1156 CD1 ILE B 714 75.833 8.118 -13.775 1.00 1.00 C ATOM 0 H ILE B 714 73.739 9.226 -10.840 1.00 1.00 H new ATOM 0 HA ILE B 714 75.466 10.414 -12.736 1.00 1.00 H new ATOM 0 HB ILE B 714 72.661 9.257 -12.918 1.00 1.00 H new ATOM 0 HG12 ILE B 714 74.402 7.652 -12.221 1.00 1.00 H new ATOM 0 HG13 ILE B 714 73.837 7.286 -13.839 1.00 1.00 H new ATOM 0 HG21 ILE B 714 73.061 9.145 -15.359 1.00 1.00 H new ATOM 0 HG22 ILE B 714 73.057 10.828 -14.779 1.00 1.00 H new ATOM 0 HG23 ILE B 714 74.598 10.016 -15.146 1.00 1.00 H new ATOM 0 HD11 ILE B 714 76.310 7.140 -13.721 1.00 1.00 H new ATOM 0 HD12 ILE B 714 75.819 8.458 -14.811 1.00 1.00 H new ATOM 0 HD13 ILE B 714 76.393 8.829 -13.167 1.00 1.00 H new ATOM 1168 N TRP B 715 72.657 12.004 -12.025 1.00 1.00 N ATOM 1169 CA TRP B 715 71.966 13.281 -12.111 1.00 1.00 C ATOM 1170 C TRP B 715 72.864 14.382 -11.541 1.00 1.00 C ATOM 1171 O TRP B 715 73.054 15.433 -12.152 1.00 1.00 O ATOM 1172 CB TRP B 715 70.669 13.137 -11.291 1.00 1.00 C ATOM 1173 CG TRP B 715 69.802 14.361 -11.334 1.00 1.00 C ATOM 1174 CD1 TRP B 715 70.008 15.471 -12.080 1.00 1.00 C ATOM 1175 CD2 TRP B 715 68.556 14.585 -10.608 1.00 1.00 C ATOM 1176 NE1 TRP B 715 68.977 16.369 -11.835 1.00 1.00 N ATOM 1177 CE2 TRP B 715 68.059 15.863 -10.941 1.00 1.00 C ATOM 1178 CE3 TRP B 715 67.821 13.805 -9.693 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 66.874 16.356 -10.390 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 66.628 14.295 -9.137 1.00 1.00 C ATOM 1181 CH2 TRP B 715 66.156 15.569 -9.485 1.00 1.00 C ATOM 0 H TRP B 715 72.180 11.308 -11.452 1.00 1.00 H new ATOM 0 HA TRP B 715 71.731 13.550 -13.141 1.00 1.00 H new ATOM 0 HB2 TRP B 715 70.102 12.285 -11.667 1.00 1.00 H new ATOM 0 HB3 TRP B 715 70.925 12.917 -10.254 1.00 1.00 H new ATOM 0 HD1 TRP B 715 70.836 15.632 -12.754 1.00 1.00 H new ATOM 0 HE1 TRP B 715 68.908 17.291 -12.265 1.00 1.00 H new ATOM 0 HE3 TRP B 715 68.178 12.824 -9.417 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 66.515 17.338 -10.661 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 66.072 13.688 -8.438 1.00 1.00 H new ATOM 0 HH2 TRP B 715 65.239 15.942 -9.054 1.00 1.00 H new ATOM 1192 N LYS B 716 73.412 14.121 -10.360 1.00 1.00 N ATOM 1193 CA LYS B 716 74.283 15.081 -9.690 1.00 1.00 C ATOM 1194 C LYS B 716 75.530 15.388 -10.528 1.00 1.00 C ATOM 1195 O LYS B 716 75.923 16.546 -10.665 1.00 1.00 O ATOM 1196 CB LYS B 716 74.701 14.506 -8.331 1.00 1.00 C ATOM 1197 CG LYS B 716 75.560 15.493 -7.502 1.00 1.00 C ATOM 1198 CD LYS B 716 74.717 16.654 -6.933 1.00 1.00 C ATOM 1199 CE LYS B 716 74.804 17.901 -7.829 1.00 1.00 C ATOM 1200 NZ LYS B 716 73.529 18.669 -7.741 1.00 1.00 N ATOM 0 H LYS B 716 73.269 13.252 -9.846 1.00 1.00 H new ATOM 0 HA LYS B 716 73.735 16.014 -9.556 1.00 1.00 H new ATOM 0 HB2 LYS B 716 73.809 14.242 -7.763 1.00 1.00 H new ATOM 0 HB3 LYS B 716 75.263 13.585 -8.488 1.00 1.00 H new ATOM 0 HG2 LYS B 716 76.039 14.957 -6.683 1.00 1.00 H new ATOM 0 HG3 LYS B 716 76.356 15.896 -8.128 1.00 1.00 H new ATOM 0 HD2 LYS B 716 73.677 16.341 -6.843 1.00 1.00 H new ATOM 0 HD3 LYS B 716 75.064 16.900 -5.929 1.00 1.00 H new ATOM 0 HE2 LYS B 716 75.640 18.527 -7.518 1.00 1.00 H new ATOM 0 HE3 LYS B 716 74.993 17.607 -8.861 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 73.666 19.617 -8.147 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 72.786 18.170 -8.270 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 73.245 18.757 -6.744 1.00 1.00 H new ATOM 1214 N LEU B 717 76.166 14.351 -11.074 1.00 1.00 N ATOM 1215 CA LEU B 717 77.375 14.559 -11.869 1.00 1.00 C ATOM 1216 C LEU B 717 77.071 15.409 -13.097 1.00 1.00 C ATOM 1217 O LEU B 717 77.825 16.321 -13.431 1.00 1.00 O ATOM 1218 CB LEU B 717 77.951 13.203 -12.302 1.00 1.00 C ATOM 1219 CG LEU B 717 79.207 13.399 -13.161 1.00 1.00 C ATOM 1220 CD1 LEU B 717 80.252 14.206 -12.387 1.00 1.00 C ATOM 1221 CD2 LEU B 717 79.791 12.030 -13.513 1.00 1.00 C ATOM 0 H LEU B 717 75.872 13.379 -10.983 1.00 1.00 H new ATOM 0 HA LEU B 717 78.108 15.085 -11.257 1.00 1.00 H new ATOM 0 HB2 LEU B 717 78.195 12.608 -11.422 1.00 1.00 H new ATOM 0 HB3 LEU B 717 77.202 12.647 -12.865 1.00 1.00 H new ATOM 0 HG LEU B 717 78.939 13.938 -14.070 1.00 1.00 H new ATOM 0 HD11 LEU B 717 81.140 14.340 -13.005 1.00 1.00 H new ATOM 0 HD12 LEU B 717 79.840 15.181 -12.128 1.00 1.00 H new ATOM 0 HD13 LEU B 717 80.522 13.673 -11.476 1.00 1.00 H new ATOM 0 HD21 LEU B 717 80.684 12.162 -14.124 1.00 1.00 H new ATOM 0 HD22 LEU B 717 80.052 11.500 -12.597 1.00 1.00 H new ATOM 0 HD23 LEU B 717 79.053 11.452 -14.069 1.00 1.00 H new ATOM 1233 N LEU B 718 75.981 15.090 -13.780 1.00 1.00 N ATOM 1234 CA LEU B 718 75.619 15.823 -14.985 1.00 1.00 C ATOM 1235 C LEU B 718 75.368 17.289 -14.667 1.00 1.00 C ATOM 1236 O LEU B 718 75.806 18.174 -15.405 1.00 1.00 O ATOM 1237 CB LEU B 718 74.367 15.214 -15.616 1.00 1.00 C ATOM 1238 CG LEU B 718 74.700 13.835 -16.200 1.00 1.00 C ATOM 1239 CD1 LEU B 718 73.407 13.134 -16.618 1.00 1.00 C ATOM 1240 CD2 LEU B 718 75.619 13.983 -17.420 1.00 1.00 C ATOM 0 H LEU B 718 75.339 14.339 -13.525 1.00 1.00 H new ATOM 0 HA LEU B 718 76.449 15.753 -15.689 1.00 1.00 H new ATOM 0 HB2 LEU B 718 73.579 15.122 -14.868 1.00 1.00 H new ATOM 0 HB3 LEU B 718 73.988 15.870 -16.400 1.00 1.00 H new ATOM 0 HG LEU B 718 75.212 13.243 -15.441 1.00 1.00 H new ATOM 0 HD11 LEU B 718 73.642 12.154 -17.033 1.00 1.00 H new ATOM 0 HD12 LEU B 718 72.761 13.014 -15.749 1.00 1.00 H new ATOM 0 HD13 LEU B 718 72.895 13.734 -17.371 1.00 1.00 H new ATOM 0 HD21 LEU B 718 75.848 12.997 -17.825 1.00 1.00 H new ATOM 0 HD22 LEU B 718 75.119 14.581 -18.182 1.00 1.00 H new ATOM 0 HD23 LEU B 718 76.544 14.476 -17.121 1.00 1.00 H new ATOM 1252 N ILE B 719 74.679 17.553 -13.565 1.00 1.00 N ATOM 1253 CA ILE B 719 74.403 18.928 -13.178 1.00 1.00 C ATOM 1254 C ILE B 719 75.700 19.671 -12.880 1.00 1.00 C ATOM 1255 O ILE B 719 75.869 20.823 -13.282 1.00 1.00 O ATOM 1256 CB ILE B 719 73.506 18.945 -11.939 1.00 1.00 C ATOM 1257 CG1 ILE B 719 72.118 18.425 -12.310 1.00 1.00 C ATOM 1258 CG2 ILE B 719 73.398 20.370 -11.399 1.00 1.00 C ATOM 1259 CD1 ILE B 719 71.311 18.161 -11.037 1.00 1.00 C ATOM 0 H ILE B 719 74.306 16.845 -12.932 1.00 1.00 H new ATOM 0 HA ILE B 719 73.896 19.427 -14.004 1.00 1.00 H new ATOM 0 HB ILE B 719 73.938 18.305 -11.169 1.00 1.00 H new ATOM 0 HG12 ILE B 719 71.601 19.153 -12.936 1.00 1.00 H new ATOM 0 HG13 ILE B 719 72.206 17.508 -12.893 1.00 1.00 H new ATOM 0 HG21 ILE B 719 72.758 20.377 -10.517 1.00 1.00 H new ATOM 0 HG22 ILE B 719 74.390 20.734 -11.131 1.00 1.00 H new ATOM 0 HG23 ILE B 719 72.969 21.017 -12.164 1.00 1.00 H new ATOM 0 HD11 ILE B 719 70.321 17.790 -11.304 1.00 1.00 H new ATOM 0 HD12 ILE B 719 71.825 17.417 -10.428 1.00 1.00 H new ATOM 0 HD13 ILE B 719 71.211 19.087 -10.471 1.00 1.00 H new ATOM 1271 N THR B 720 76.604 19.026 -12.152 1.00 1.00 N ATOM 1272 CA THR B 720 77.863 19.674 -11.791 1.00 1.00 C ATOM 1273 C THR B 720 78.647 20.070 -13.039 1.00 1.00 C ATOM 1274 O THR B 720 79.168 21.185 -13.118 1.00 1.00 O ATOM 1275 CB THR B 720 78.708 18.731 -10.934 1.00 1.00 C ATOM 1276 OG1 THR B 720 77.913 18.209 -9.882 1.00 1.00 O ATOM 1277 CG2 THR B 720 79.889 19.498 -10.343 1.00 1.00 C ATOM 0 H THR B 720 76.495 18.073 -11.805 1.00 1.00 H new ATOM 0 HA THR B 720 77.632 20.575 -11.223 1.00 1.00 H new ATOM 0 HB THR B 720 79.078 17.913 -11.553 1.00 1.00 H new ATOM 0 HG1 THR B 720 77.329 17.505 -10.232 1.00 1.00 H new ATOM 0 HG21 THR B 720 80.491 18.825 -9.732 1.00 1.00 H new ATOM 0 HG22 THR B 720 80.501 19.901 -11.150 1.00 1.00 H new ATOM 0 HG23 THR B 720 79.519 20.316 -9.725 1.00 1.00 H new ATOM 1285 N ILE B 721 78.762 19.160 -13.999 1.00 1.00 N ATOM 1286 CA ILE B 721 79.522 19.441 -15.213 1.00 1.00 C ATOM 1287 C ILE B 721 78.918 20.605 -15.999 1.00 1.00 C ATOM 1288 O ILE B 721 79.641 21.475 -16.484 1.00 1.00 O ATOM 1289 CB ILE B 721 79.560 18.196 -16.103 1.00 1.00 C ATOM 1290 CG1 ILE B 721 80.397 17.106 -15.426 1.00 1.00 C ATOM 1291 CG2 ILE B 721 80.187 18.551 -17.454 1.00 1.00 C ATOM 1292 CD1 ILE B 721 80.194 15.780 -16.161 1.00 1.00 C ATOM 0 H ILE B 721 78.344 18.230 -13.963 1.00 1.00 H new ATOM 0 HA ILE B 721 80.533 19.718 -14.914 1.00 1.00 H new ATOM 0 HB ILE B 721 78.544 17.832 -16.257 1.00 1.00 H new ATOM 0 HG12 ILE B 721 81.451 17.383 -15.436 1.00 1.00 H new ATOM 0 HG13 ILE B 721 80.104 17.004 -14.381 1.00 1.00 H new ATOM 0 HG21 ILE B 721 80.214 17.664 -18.087 1.00 1.00 H new ATOM 0 HG22 ILE B 721 79.592 19.325 -17.939 1.00 1.00 H new ATOM 0 HG23 ILE B 721 81.202 18.917 -17.299 1.00 1.00 H new ATOM 0 HD11 ILE B 721 80.789 15.003 -15.681 1.00 1.00 H new ATOM 0 HD12 ILE B 721 79.140 15.503 -16.128 1.00 1.00 H new ATOM 0 HD13 ILE B 721 80.508 15.888 -17.199 1.00 1.00 H new ATOM 1304 N HIS B 722 77.593 20.620 -16.117 1.00 1.00 N ATOM 1305 CA HIS B 722 76.935 21.703 -16.845 1.00 1.00 C ATOM 1306 C HIS B 722 77.294 23.055 -16.204 1.00 1.00 C ATOM 1307 O HIS B 722 77.533 24.047 -16.901 1.00 1.00 O ATOM 1308 CB HIS B 722 75.415 21.510 -16.837 1.00 1.00 C ATOM 1309 CG HIS B 722 75.037 20.402 -17.787 1.00 1.00 C ATOM 1310 ND1 HIS B 722 74.716 19.122 -17.355 1.00 1.00 N ATOM 1311 CD2 HIS B 722 74.936 20.370 -19.155 1.00 1.00 C ATOM 1312 CE1 HIS B 722 74.444 18.382 -18.447 1.00 1.00 C ATOM 1313 NE2 HIS B 722 74.563 19.094 -19.570 1.00 1.00 N ATOM 0 H HIS B 722 76.966 19.915 -15.729 1.00 1.00 H new ATOM 0 HA HIS B 722 77.282 21.690 -17.878 1.00 1.00 H new ATOM 0 HB2 HIS B 722 75.075 21.270 -15.830 1.00 1.00 H new ATOM 0 HB3 HIS B 722 74.920 22.436 -17.128 1.00 1.00 H new ATOM 0 HD1 HIS B 722 74.691 18.801 -16.387 1.00 1.00 H new ATOM 0 HD2 HIS B 722 75.118 21.208 -19.811 1.00 1.00 H new ATOM 0 HE1 HIS B 722 74.164 17.339 -18.418 1.00 1.00 H new