USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 558 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 76:sc= 0.75 USER MOD Single : A 987 MET CE :methyl 179:sc= 0 (180deg=-0.000963) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 994 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 699 SER OG : rot 76:sc= 0.656 USER MOD Single : B 701 MET CE :methyl 157:sc= -0.0938 (180deg=-0.76) USER MOD Single : B 716 LYS NZ :NH3+ -114:sc= -0.0459 (180deg=-0.83) USER MOD Single : B 720 THR OG1 : rot 92:sc= 0.936 USER MOD Single : B 722 HIS : no HE2:sc= 0.822 K(o=0.82,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 32.023 -18.851 -1.019 1.00 1.00 N ATOM 137 CA ILE A 966 31.872 -17.630 -0.235 1.00 1.00 C ATOM 138 C ILE A 966 33.221 -16.948 -0.014 1.00 1.00 C ATOM 139 O ILE A 966 33.280 -15.784 0.388 1.00 1.00 O ATOM 140 CB ILE A 966 31.220 -17.952 1.112 1.00 1.00 C ATOM 141 CG1 ILE A 966 32.070 -18.975 1.875 1.00 1.00 C ATOM 142 CG2 ILE A 966 29.822 -18.525 0.877 1.00 1.00 C ATOM 143 CD1 ILE A 966 31.499 -19.155 3.281 1.00 1.00 C ATOM 0 HA ILE A 966 31.232 -16.944 -0.791 1.00 1.00 H new ATOM 0 HB ILE A 966 31.147 -17.038 1.701 1.00 1.00 H new ATOM 0 HG12 ILE A 966 32.074 -19.928 1.347 1.00 1.00 H new ATOM 0 HG13 ILE A 966 33.105 -18.637 1.930 1.00 1.00 H new ATOM 0 HG21 ILE A 966 29.357 -18.755 1.836 1.00 1.00 H new ATOM 0 HG22 ILE A 966 29.214 -17.794 0.345 1.00 1.00 H new ATOM 0 HG23 ILE A 966 29.897 -19.436 0.283 1.00 1.00 H new ATOM 0 HD11 ILE A 966 32.100 -19.882 3.828 1.00 1.00 H new ATOM 0 HD12 ILE A 966 31.518 -18.200 3.806 1.00 1.00 H new ATOM 0 HD13 ILE A 966 30.471 -19.512 3.213 1.00 1.00 H new ATOM 155 N TRP A 967 34.302 -17.680 -0.266 1.00 1.00 N ATOM 156 CA TRP A 967 35.640 -17.128 -0.081 1.00 1.00 C ATOM 157 C TRP A 967 35.832 -15.892 -0.954 1.00 1.00 C ATOM 158 O TRP A 967 36.438 -14.909 -0.527 1.00 1.00 O ATOM 159 CB TRP A 967 36.694 -18.178 -0.437 1.00 1.00 C ATOM 160 CG TRP A 967 36.669 -19.276 0.578 1.00 1.00 C ATOM 161 CD1 TRP A 967 36.130 -20.502 0.385 1.00 1.00 C ATOM 162 CD2 TRP A 967 37.195 -19.271 1.937 1.00 1.00 C ATOM 163 NE1 TRP A 967 36.294 -21.250 1.537 1.00 1.00 N ATOM 164 CE2 TRP A 967 36.944 -20.534 2.524 1.00 1.00 C ATOM 165 CE3 TRP A 967 37.859 -18.301 2.709 1.00 1.00 C ATOM 166 CZ2 TRP A 967 37.339 -20.824 3.831 1.00 1.00 C ATOM 167 CZ3 TRP A 967 38.257 -18.590 4.025 1.00 1.00 C ATOM 168 CH2 TRP A 967 37.997 -19.848 4.584 1.00 1.00 C ATOM 0 H TRP A 967 34.280 -18.645 -0.595 1.00 1.00 H new ATOM 0 HA TRP A 967 35.755 -16.843 0.965 1.00 1.00 H new ATOM 0 HB2 TRP A 967 36.499 -18.582 -1.430 1.00 1.00 H new ATOM 0 HB3 TRP A 967 37.683 -17.720 -0.468 1.00 1.00 H new ATOM 0 HD1 TRP A 967 35.650 -20.841 -0.521 1.00 1.00 H new ATOM 0 HE1 TRP A 967 35.974 -22.213 1.645 1.00 1.00 H new ATOM 0 HE3 TRP A 967 38.064 -17.328 2.288 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 37.138 -21.796 4.257 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 38.766 -17.838 4.609 1.00 1.00 H new ATOM 0 HH2 TRP A 967 38.305 -20.063 5.596 1.00 1.00 H new ATOM 179 N TRP A 968 35.305 -15.944 -2.174 1.00 1.00 N ATOM 180 CA TRP A 968 35.422 -14.815 -3.091 1.00 1.00 C ATOM 181 C TRP A 968 34.744 -13.578 -2.505 1.00 1.00 C ATOM 182 O TRP A 968 35.247 -12.462 -2.634 1.00 1.00 O ATOM 183 CB TRP A 968 34.785 -15.161 -4.438 1.00 1.00 C ATOM 184 CG TRP A 968 35.615 -16.196 -5.129 1.00 1.00 C ATOM 185 CD1 TRP A 968 35.310 -17.510 -5.207 1.00 1.00 C ATOM 186 CD2 TRP A 968 36.879 -16.028 -5.838 1.00 1.00 C ATOM 187 NE1 TRP A 968 36.303 -18.161 -5.916 1.00 1.00 N ATOM 188 CE2 TRP A 968 37.290 -17.290 -6.326 1.00 1.00 C ATOM 189 CE3 TRP A 968 37.700 -14.916 -6.102 1.00 1.00 C ATOM 190 CZ2 TRP A 968 38.472 -17.443 -7.050 1.00 1.00 C ATOM 191 CZ3 TRP A 968 38.892 -15.068 -6.832 1.00 1.00 C ATOM 192 CH2 TRP A 968 39.276 -16.330 -7.304 1.00 1.00 C ATOM 0 H TRP A 968 34.798 -16.746 -2.547 1.00 1.00 H new ATOM 0 HA TRP A 968 36.481 -14.601 -3.239 1.00 1.00 H new ATOM 0 HB2 TRP A 968 33.771 -15.532 -4.289 1.00 1.00 H new ATOM 0 HB3 TRP A 968 34.709 -14.267 -5.057 1.00 1.00 H new ATOM 0 HD1 TRP A 968 34.433 -17.976 -4.784 1.00 1.00 H new ATOM 0 HE1 TRP A 968 36.305 -19.162 -6.112 1.00 1.00 H new ATOM 0 HE3 TRP A 968 37.413 -13.939 -5.741 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 38.764 -18.418 -7.412 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 39.515 -14.208 -7.030 1.00 1.00 H new ATOM 0 HH2 TRP A 968 40.193 -16.442 -7.864 1.00 1.00 H new ATOM 203 N VAL A 969 33.602 -13.790 -1.855 1.00 1.00 N ATOM 204 CA VAL A 969 32.859 -12.692 -1.245 1.00 1.00 C ATOM 205 C VAL A 969 33.680 -12.049 -0.131 1.00 1.00 C ATOM 206 O VAL A 969 33.747 -10.827 -0.019 1.00 1.00 O ATOM 207 CB VAL A 969 31.531 -13.202 -0.679 1.00 1.00 C ATOM 208 CG1 VAL A 969 30.873 -12.097 0.152 1.00 1.00 C ATOM 209 CG2 VAL A 969 30.604 -13.583 -1.834 1.00 1.00 C ATOM 0 H VAL A 969 33.173 -14.708 -1.738 1.00 1.00 H new ATOM 0 HA VAL A 969 32.657 -11.945 -2.012 1.00 1.00 H new ATOM 0 HB VAL A 969 31.713 -14.073 -0.049 1.00 1.00 H new ATOM 0 HG11 VAL A 969 29.927 -12.459 0.555 1.00 1.00 H new ATOM 0 HG12 VAL A 969 31.534 -11.816 0.972 1.00 1.00 H new ATOM 0 HG13 VAL A 969 30.689 -11.228 -0.479 1.00 1.00 H new ATOM 0 HG21 VAL A 969 29.657 -13.947 -1.436 1.00 1.00 H new ATOM 0 HG22 VAL A 969 30.423 -12.708 -2.459 1.00 1.00 H new ATOM 0 HG23 VAL A 969 31.071 -14.366 -2.432 1.00 1.00 H new ATOM 219 N LEU A 970 34.302 -12.886 0.691 1.00 1.00 N ATOM 220 CA LEU A 970 35.119 -12.397 1.798 1.00 1.00 C ATOM 221 C LEU A 970 36.285 -11.569 1.266 1.00 1.00 C ATOM 222 O LEU A 970 36.619 -10.520 1.820 1.00 1.00 O ATOM 223 CB LEU A 970 35.651 -13.581 2.621 1.00 1.00 C ATOM 224 CG LEU A 970 36.532 -13.082 3.778 1.00 1.00 C ATOM 225 CD1 LEU A 970 35.731 -12.132 4.672 1.00 1.00 C ATOM 226 CD2 LEU A 970 37.002 -14.282 4.606 1.00 1.00 C ATOM 0 H LEU A 970 34.258 -13.902 0.614 1.00 1.00 H new ATOM 0 HA LEU A 970 34.502 -11.767 2.438 1.00 1.00 H new ATOM 0 HB2 LEU A 970 34.817 -14.161 3.016 1.00 1.00 H new ATOM 0 HB3 LEU A 970 36.227 -14.248 1.979 1.00 1.00 H new ATOM 0 HG LEU A 970 37.393 -12.551 3.372 1.00 1.00 H new ATOM 0 HD11 LEU A 970 36.362 -11.783 5.489 1.00 1.00 H new ATOM 0 HD12 LEU A 970 35.393 -11.278 4.085 1.00 1.00 H new ATOM 0 HD13 LEU A 970 34.867 -12.657 5.079 1.00 1.00 H new ATOM 0 HD21 LEU A 970 37.627 -13.934 5.428 1.00 1.00 H new ATOM 0 HD22 LEU A 970 36.136 -14.809 5.007 1.00 1.00 H new ATOM 0 HD23 LEU A 970 37.577 -14.958 3.973 1.00 1.00 H new ATOM 238 N VAL A 971 36.902 -12.046 0.192 1.00 1.00 N ATOM 239 CA VAL A 971 38.031 -11.340 -0.404 1.00 1.00 C ATOM 240 C VAL A 971 37.599 -9.959 -0.891 1.00 1.00 C ATOM 241 O VAL A 971 38.289 -8.965 -0.659 1.00 1.00 O ATOM 242 CB VAL A 971 38.589 -12.147 -1.577 1.00 1.00 C ATOM 243 CG1 VAL A 971 39.626 -11.309 -2.326 1.00 1.00 C ATOM 244 CG2 VAL A 971 39.251 -13.422 -1.049 1.00 1.00 C ATOM 0 H VAL A 971 36.643 -12.912 -0.282 1.00 1.00 H new ATOM 0 HA VAL A 971 38.805 -11.220 0.354 1.00 1.00 H new ATOM 0 HB VAL A 971 37.777 -12.411 -2.254 1.00 1.00 H new ATOM 0 HG11 VAL A 971 40.024 -11.884 -3.162 1.00 1.00 H new ATOM 0 HG12 VAL A 971 39.156 -10.400 -2.702 1.00 1.00 H new ATOM 0 HG13 VAL A 971 40.438 -11.045 -1.649 1.00 1.00 H new ATOM 0 HG21 VAL A 971 39.649 -13.998 -1.884 1.00 1.00 H new ATOM 0 HG22 VAL A 971 40.063 -13.157 -0.372 1.00 1.00 H new ATOM 0 HG23 VAL A 971 38.513 -14.020 -0.515 1.00 1.00 H new ATOM 254 N GLY A 972 36.455 -9.901 -1.564 1.00 1.00 N ATOM 255 CA GLY A 972 35.944 -8.632 -2.071 1.00 1.00 C ATOM 256 C GLY A 972 35.625 -7.687 -0.918 1.00 1.00 C ATOM 257 O GLY A 972 35.839 -6.477 -1.011 1.00 1.00 O ATOM 0 H GLY A 972 35.868 -10.710 -1.770 1.00 1.00 H new ATOM 0 HA2 GLY A 972 36.681 -8.174 -2.731 1.00 1.00 H new ATOM 0 HA3 GLY A 972 35.047 -8.806 -2.666 1.00 1.00 H new ATOM 261 N VAL A 973 35.115 -8.250 0.170 1.00 1.00 N ATOM 262 CA VAL A 973 34.769 -7.455 1.342 1.00 1.00 C ATOM 263 C VAL A 973 36.015 -6.796 1.926 1.00 1.00 C ATOM 264 O VAL A 973 36.002 -5.615 2.276 1.00 1.00 O ATOM 265 CB VAL A 973 34.116 -8.346 2.403 1.00 1.00 C ATOM 266 CG1 VAL A 973 33.936 -7.555 3.701 1.00 1.00 C ATOM 267 CG2 VAL A 973 32.747 -8.819 1.903 1.00 1.00 C ATOM 0 H VAL A 973 34.932 -9.249 0.266 1.00 1.00 H new ATOM 0 HA VAL A 973 34.067 -6.678 1.038 1.00 1.00 H new ATOM 0 HB VAL A 973 34.755 -9.209 2.590 1.00 1.00 H new ATOM 0 HG11 VAL A 973 33.471 -8.192 4.454 1.00 1.00 H new ATOM 0 HG12 VAL A 973 34.909 -7.219 4.060 1.00 1.00 H new ATOM 0 HG13 VAL A 973 33.300 -6.690 3.515 1.00 1.00 H new ATOM 0 HG21 VAL A 973 32.283 -9.453 2.658 1.00 1.00 H new ATOM 0 HG22 VAL A 973 32.110 -7.955 1.714 1.00 1.00 H new ATOM 0 HG23 VAL A 973 32.873 -9.386 0.981 1.00 1.00 H new ATOM 277 N LEU A 974 37.091 -7.568 2.035 1.00 1.00 N ATOM 278 CA LEU A 974 38.340 -7.050 2.583 1.00 1.00 C ATOM 279 C LEU A 974 38.890 -5.925 1.711 1.00 1.00 C ATOM 280 O LEU A 974 39.365 -4.909 2.220 1.00 1.00 O ATOM 281 CB LEU A 974 39.376 -8.171 2.672 1.00 1.00 C ATOM 282 CG LEU A 974 38.966 -9.172 3.756 1.00 1.00 C ATOM 283 CD1 LEU A 974 39.878 -10.398 3.681 1.00 1.00 C ATOM 284 CD2 LEU A 974 39.086 -8.531 5.146 1.00 1.00 C ATOM 0 H LEU A 974 37.124 -8.548 1.753 1.00 1.00 H new ATOM 0 HA LEU A 974 38.136 -6.657 3.579 1.00 1.00 H new ATOM 0 HB2 LEU A 974 39.461 -8.677 1.710 1.00 1.00 H new ATOM 0 HB3 LEU A 974 40.357 -7.755 2.901 1.00 1.00 H new ATOM 0 HG LEU A 974 37.930 -9.469 3.593 1.00 1.00 H new ATOM 0 HD11 LEU A 974 39.590 -11.114 4.451 1.00 1.00 H new ATOM 0 HD12 LEU A 974 39.783 -10.863 2.700 1.00 1.00 H new ATOM 0 HD13 LEU A 974 40.912 -10.092 3.839 1.00 1.00 H new ATOM 0 HD21 LEU A 974 38.791 -9.254 5.907 1.00 1.00 H new ATOM 0 HD22 LEU A 974 40.118 -8.224 5.317 1.00 1.00 H new ATOM 0 HD23 LEU A 974 38.434 -7.659 5.202 1.00 1.00 H new ATOM 296 N GLY A 975 38.820 -6.110 0.398 1.00 1.00 N ATOM 297 CA GLY A 975 39.316 -5.096 -0.525 1.00 1.00 C ATOM 298 C GLY A 975 38.534 -3.797 -0.371 1.00 1.00 C ATOM 299 O GLY A 975 39.108 -2.709 -0.414 1.00 1.00 O ATOM 0 H GLY A 975 38.430 -6.941 -0.047 1.00 1.00 H new ATOM 0 HA2 GLY A 975 40.374 -4.913 -0.338 1.00 1.00 H new ATOM 0 HA3 GLY A 975 39.231 -5.458 -1.550 1.00 1.00 H new ATOM 303 N GLY A 976 37.222 -3.914 -0.180 1.00 1.00 N ATOM 304 CA GLY A 976 36.383 -2.734 -0.009 1.00 1.00 C ATOM 305 C GLY A 976 36.765 -1.985 1.266 1.00 1.00 C ATOM 306 O GLY A 976 36.790 -0.755 1.293 1.00 1.00 O ATOM 0 H GLY A 976 36.723 -4.803 -0.140 1.00 1.00 H new ATOM 0 HA2 GLY A 976 36.492 -2.076 -0.871 1.00 1.00 H new ATOM 0 HA3 GLY A 976 35.335 -3.029 0.036 1.00 1.00 H new ATOM 310 N LEU A 977 37.071 -2.742 2.318 1.00 1.00 N ATOM 311 CA LEU A 977 37.465 -2.148 3.594 1.00 1.00 C ATOM 312 C LEU A 977 38.757 -1.360 3.424 1.00 1.00 C ATOM 313 O LEU A 977 38.914 -0.272 3.980 1.00 1.00 O ATOM 314 CB LEU A 977 37.665 -3.240 4.648 1.00 1.00 C ATOM 315 CG LEU A 977 36.310 -3.849 5.030 1.00 1.00 C ATOM 316 CD1 LEU A 977 36.536 -5.091 5.896 1.00 1.00 C ATOM 317 CD2 LEU A 977 35.470 -2.829 5.812 1.00 1.00 C ATOM 0 H LEU A 977 37.054 -3.762 2.313 1.00 1.00 H new ATOM 0 HA LEU A 977 36.673 -1.476 3.924 1.00 1.00 H new ATOM 0 HB2 LEU A 977 38.326 -4.015 4.261 1.00 1.00 H new ATOM 0 HB3 LEU A 977 38.148 -2.822 5.531 1.00 1.00 H new ATOM 0 HG LEU A 977 35.777 -4.124 4.120 1.00 1.00 H new ATOM 0 HD11 LEU A 977 35.574 -5.525 6.168 1.00 1.00 H new ATOM 0 HD12 LEU A 977 37.119 -5.823 5.337 1.00 1.00 H new ATOM 0 HD13 LEU A 977 37.076 -4.811 6.800 1.00 1.00 H new ATOM 0 HD21 LEU A 977 34.511 -3.274 6.077 1.00 1.00 H new ATOM 0 HD22 LEU A 977 36.000 -2.541 6.720 1.00 1.00 H new ATOM 0 HD23 LEU A 977 35.302 -1.946 5.195 1.00 1.00 H new ATOM 329 N LEU A 978 39.675 -1.922 2.648 1.00 1.00 N ATOM 330 CA LEU A 978 40.961 -1.283 2.393 1.00 1.00 C ATOM 331 C LEU A 978 40.758 0.052 1.680 1.00 1.00 C ATOM 332 O LEU A 978 41.427 1.038 1.988 1.00 1.00 O ATOM 333 CB LEU A 978 41.833 -2.206 1.533 1.00 1.00 C ATOM 334 CG LEU A 978 43.185 -1.544 1.228 1.00 1.00 C ATOM 335 CD1 LEU A 978 43.905 -1.193 2.531 1.00 1.00 C ATOM 336 CD2 LEU A 978 44.045 -2.520 0.424 1.00 1.00 C ATOM 0 H LEU A 978 39.553 -2.822 2.183 1.00 1.00 H new ATOM 0 HA LEU A 978 41.459 -1.098 3.345 1.00 1.00 H new ATOM 0 HB2 LEU A 978 41.994 -3.151 2.052 1.00 1.00 H new ATOM 0 HB3 LEU A 978 41.317 -2.438 0.601 1.00 1.00 H new ATOM 0 HG LEU A 978 43.019 -0.630 0.657 1.00 1.00 H new ATOM 0 HD11 LEU A 978 44.862 -0.724 2.303 1.00 1.00 H new ATOM 0 HD12 LEU A 978 43.292 -0.503 3.111 1.00 1.00 H new ATOM 0 HD13 LEU A 978 44.074 -2.101 3.109 1.00 1.00 H new ATOM 0 HD21 LEU A 978 45.008 -2.059 0.202 1.00 1.00 H new ATOM 0 HD22 LEU A 978 44.203 -3.429 1.004 1.00 1.00 H new ATOM 0 HD23 LEU A 978 43.538 -2.768 -0.509 1.00 1.00 H new ATOM 348 N LEU A 979 39.842 0.077 0.719 1.00 1.00 N ATOM 349 CA LEU A 979 39.578 1.299 -0.032 1.00 1.00 C ATOM 350 C LEU A 979 39.088 2.402 0.904 1.00 1.00 C ATOM 351 O LEU A 979 39.535 3.548 0.813 1.00 1.00 O ATOM 352 CB LEU A 979 38.514 1.007 -1.099 1.00 1.00 C ATOM 353 CG LEU A 979 38.177 2.283 -1.892 1.00 1.00 C ATOM 354 CD1 LEU A 979 37.483 1.894 -3.197 1.00 1.00 C ATOM 355 CD2 LEU A 979 37.242 3.208 -1.091 1.00 1.00 C ATOM 0 H LEU A 979 39.275 -0.725 0.443 1.00 1.00 H new ATOM 0 HA LEU A 979 40.498 1.637 -0.510 1.00 1.00 H new ATOM 0 HB2 LEU A 979 38.875 0.235 -1.778 1.00 1.00 H new ATOM 0 HB3 LEU A 979 37.613 0.618 -0.625 1.00 1.00 H new ATOM 0 HG LEU A 979 39.107 2.816 -2.092 1.00 1.00 H new ATOM 0 HD11 LEU A 979 37.242 2.794 -3.763 1.00 1.00 H new ATOM 0 HD12 LEU A 979 38.146 1.261 -3.787 1.00 1.00 H new ATOM 0 HD13 LEU A 979 36.566 1.349 -2.973 1.00 1.00 H new ATOM 0 HD21 LEU A 979 37.023 4.100 -1.678 1.00 1.00 H new ATOM 0 HD22 LEU A 979 36.313 2.682 -0.869 1.00 1.00 H new ATOM 0 HD23 LEU A 979 37.727 3.497 -0.159 1.00 1.00 H new ATOM 367 N LEU A 980 38.176 2.048 1.802 1.00 1.00 N ATOM 368 CA LEU A 980 37.640 3.014 2.759 1.00 1.00 C ATOM 369 C LEU A 980 38.748 3.517 3.682 1.00 1.00 C ATOM 370 O LEU A 980 38.821 4.704 4.002 1.00 1.00 O ATOM 371 CB LEU A 980 36.525 2.359 3.583 1.00 1.00 C ATOM 372 CG LEU A 980 35.939 3.356 4.591 1.00 1.00 C ATOM 373 CD1 LEU A 980 35.367 4.569 3.851 1.00 1.00 C ATOM 374 CD2 LEU A 980 34.823 2.671 5.384 1.00 1.00 C ATOM 0 H LEU A 980 37.793 1.107 1.889 1.00 1.00 H new ATOM 0 HA LEU A 980 37.231 3.864 2.213 1.00 1.00 H new ATOM 0 HB2 LEU A 980 35.738 2.000 2.919 1.00 1.00 H new ATOM 0 HB3 LEU A 980 36.918 1.490 4.110 1.00 1.00 H new ATOM 0 HG LEU A 980 36.725 3.689 5.269 1.00 1.00 H new ATOM 0 HD11 LEU A 980 34.952 5.273 4.572 1.00 1.00 H new ATOM 0 HD12 LEU A 980 36.160 5.056 3.283 1.00 1.00 H new ATOM 0 HD13 LEU A 980 34.581 4.242 3.170 1.00 1.00 H new ATOM 0 HD21 LEU A 980 34.402 3.375 6.102 1.00 1.00 H new ATOM 0 HD22 LEU A 980 34.041 2.340 4.700 1.00 1.00 H new ATOM 0 HD23 LEU A 980 35.229 1.810 5.915 1.00 1.00 H new ATOM 386 N THR A 981 39.593 2.589 4.116 1.00 1.00 N ATOM 387 CA THR A 981 40.695 2.908 5.020 1.00 1.00 C ATOM 388 C THR A 981 41.680 3.891 4.386 1.00 1.00 C ATOM 389 O THR A 981 42.142 4.819 5.041 1.00 1.00 O ATOM 390 CB THR A 981 41.437 1.626 5.405 1.00 1.00 C ATOM 391 OG1 THR A 981 40.557 0.766 6.115 1.00 1.00 O ATOM 392 CG2 THR A 981 42.641 1.974 6.284 1.00 1.00 C ATOM 0 H THR A 981 39.536 1.604 3.856 1.00 1.00 H new ATOM 0 HA THR A 981 40.270 3.377 5.907 1.00 1.00 H new ATOM 0 HB THR A 981 41.785 1.122 4.503 1.00 1.00 H new ATOM 0 HG1 THR A 981 39.934 0.345 5.487 1.00 1.00 H new ATOM 0 HG21 THR A 981 43.168 1.060 6.557 1.00 1.00 H new ATOM 0 HG22 THR A 981 43.315 2.631 5.734 1.00 1.00 H new ATOM 0 HG23 THR A 981 42.298 2.479 7.187 1.00 1.00 H new ATOM 400 N ILE A 982 42.024 3.669 3.126 1.00 1.00 N ATOM 401 CA ILE A 982 42.985 4.536 2.448 1.00 1.00 C ATOM 402 C ILE A 982 42.472 5.970 2.340 1.00 1.00 C ATOM 403 O ILE A 982 43.224 6.920 2.570 1.00 1.00 O ATOM 404 CB ILE A 982 43.277 3.997 1.047 1.00 1.00 C ATOM 405 CG1 ILE A 982 44.048 2.679 1.160 1.00 1.00 C ATOM 406 CG2 ILE A 982 44.118 5.017 0.274 1.00 1.00 C ATOM 407 CD1 ILE A 982 44.106 1.996 -0.207 1.00 1.00 C ATOM 0 H ILE A 982 41.659 2.906 2.555 1.00 1.00 H new ATOM 0 HA ILE A 982 43.898 4.544 3.043 1.00 1.00 H new ATOM 0 HB ILE A 982 42.339 3.825 0.519 1.00 1.00 H new ATOM 0 HG12 ILE A 982 45.057 2.867 1.526 1.00 1.00 H new ATOM 0 HG13 ILE A 982 43.563 2.024 1.884 1.00 1.00 H new ATOM 0 HG21 ILE A 982 44.327 4.634 -0.725 1.00 1.00 H new ATOM 0 HG22 ILE A 982 43.570 5.956 0.195 1.00 1.00 H new ATOM 0 HG23 ILE A 982 45.057 5.188 0.801 1.00 1.00 H new ATOM 0 HD11 ILE A 982 44.656 1.058 -0.122 1.00 1.00 H new ATOM 0 HD12 ILE A 982 43.093 1.793 -0.556 1.00 1.00 H new ATOM 0 HD13 ILE A 982 44.611 2.649 -0.919 1.00 1.00 H new ATOM 419 N LEU A 983 41.205 6.132 1.983 1.00 1.00 N ATOM 420 CA LEU A 983 40.639 7.469 1.846 1.00 1.00 C ATOM 421 C LEU A 983 40.656 8.214 3.179 1.00 1.00 C ATOM 422 O LEU A 983 40.945 9.411 3.221 1.00 1.00 O ATOM 423 CB LEU A 983 39.201 7.400 1.317 1.00 1.00 C ATOM 424 CG LEU A 983 39.198 6.938 -0.145 1.00 1.00 C ATOM 425 CD1 LEU A 983 37.755 6.721 -0.604 1.00 1.00 C ATOM 426 CD2 LEU A 983 39.861 7.995 -1.042 1.00 1.00 C ATOM 0 H LEU A 983 40.558 5.369 1.786 1.00 1.00 H new ATOM 0 HA LEU A 983 41.257 8.013 1.132 1.00 1.00 H new ATOM 0 HB2 LEU A 983 38.614 6.711 1.925 1.00 1.00 H new ATOM 0 HB3 LEU A 983 38.728 8.379 1.398 1.00 1.00 H new ATOM 0 HG LEU A 983 39.759 6.006 -0.222 1.00 1.00 H new ATOM 0 HD11 LEU A 983 37.749 6.392 -1.643 1.00 1.00 H new ATOM 0 HD12 LEU A 983 37.285 5.960 0.020 1.00 1.00 H new ATOM 0 HD13 LEU A 983 37.201 7.655 -0.516 1.00 1.00 H new ATOM 0 HD21 LEU A 983 39.851 7.652 -2.077 1.00 1.00 H new ATOM 0 HD22 LEU A 983 39.312 8.933 -0.965 1.00 1.00 H new ATOM 0 HD23 LEU A 983 40.891 8.150 -0.721 1.00 1.00 H new ATOM 438 N VAL A 984 40.326 7.516 4.262 1.00 1.00 N ATOM 439 CA VAL A 984 40.290 8.153 5.576 1.00 1.00 C ATOM 440 C VAL A 984 41.664 8.686 5.984 1.00 1.00 C ATOM 441 O VAL A 984 41.786 9.829 6.430 1.00 1.00 O ATOM 442 CB VAL A 984 39.805 7.143 6.620 1.00 1.00 C ATOM 443 CG1 VAL A 984 39.983 7.726 8.022 1.00 1.00 C ATOM 444 CG2 VAL A 984 38.325 6.839 6.381 1.00 1.00 C ATOM 0 H VAL A 984 40.083 6.525 4.258 1.00 1.00 H new ATOM 0 HA VAL A 984 39.604 8.998 5.521 1.00 1.00 H new ATOM 0 HB VAL A 984 40.387 6.226 6.534 1.00 1.00 H new ATOM 0 HG11 VAL A 984 39.637 7.005 8.763 1.00 1.00 H new ATOM 0 HG12 VAL A 984 41.037 7.945 8.194 1.00 1.00 H new ATOM 0 HG13 VAL A 984 39.402 8.644 8.111 1.00 1.00 H new ATOM 0 HG21 VAL A 984 37.977 6.120 7.123 1.00 1.00 H new ATOM 0 HG22 VAL A 984 37.746 7.759 6.467 1.00 1.00 H new ATOM 0 HG23 VAL A 984 38.196 6.421 5.383 1.00 1.00 H new ATOM 454 N LEU A 985 42.697 7.867 5.825 1.00 1.00 N ATOM 455 CA LEU A 985 44.047 8.294 6.182 1.00 1.00 C ATOM 456 C LEU A 985 44.514 9.462 5.319 1.00 1.00 C ATOM 457 O LEU A 985 45.137 10.395 5.824 1.00 1.00 O ATOM 458 CB LEU A 985 45.030 7.125 6.076 1.00 1.00 C ATOM 459 CG LEU A 985 45.065 6.361 7.406 1.00 1.00 C ATOM 460 CD1 LEU A 985 43.664 5.879 7.785 1.00 1.00 C ATOM 461 CD2 LEU A 985 45.993 5.152 7.268 1.00 1.00 C ATOM 0 H LEU A 985 42.630 6.918 5.457 1.00 1.00 H new ATOM 0 HA LEU A 985 44.019 8.636 7.217 1.00 1.00 H new ATOM 0 HB2 LEU A 985 44.730 6.457 5.269 1.00 1.00 H new ATOM 0 HB3 LEU A 985 46.026 7.495 5.831 1.00 1.00 H new ATOM 0 HG LEU A 985 45.431 7.029 8.186 1.00 1.00 H new ATOM 0 HD11 LEU A 985 43.708 5.339 8.731 1.00 1.00 H new ATOM 0 HD12 LEU A 985 42.999 6.737 7.888 1.00 1.00 H new ATOM 0 HD13 LEU A 985 43.284 5.217 7.007 1.00 1.00 H new ATOM 0 HD21 LEU A 985 46.021 4.606 8.211 1.00 1.00 H new ATOM 0 HD22 LEU A 985 45.622 4.497 6.480 1.00 1.00 H new ATOM 0 HD23 LEU A 985 46.997 5.491 7.015 1.00 1.00 H new ATOM 473 N ALA A 986 44.222 9.413 4.022 1.00 1.00 N ATOM 474 CA ALA A 986 44.643 10.488 3.130 1.00 1.00 C ATOM 475 C ALA A 986 44.017 11.815 3.553 1.00 1.00 C ATOM 476 O ALA A 986 44.697 12.841 3.606 1.00 1.00 O ATOM 477 CB ALA A 986 44.243 10.168 1.689 1.00 1.00 C ATOM 0 H ALA A 986 43.706 8.657 3.572 1.00 1.00 H new ATOM 0 HA ALA A 986 45.728 10.575 3.191 1.00 1.00 H new ATOM 0 HB1 ALA A 986 44.563 10.978 1.034 1.00 1.00 H new ATOM 0 HB2 ALA A 986 44.720 9.239 1.377 1.00 1.00 H new ATOM 0 HB3 ALA A 986 43.160 10.058 1.628 1.00 1.00 H new ATOM 483 N MET A 987 42.726 11.793 3.864 1.00 1.00 N ATOM 484 CA MET A 987 42.042 13.011 4.285 1.00 1.00 C ATOM 485 C MET A 987 42.601 13.492 5.622 1.00 1.00 C ATOM 486 O MET A 987 42.809 14.690 5.834 1.00 1.00 O ATOM 487 CB MET A 987 40.539 12.744 4.396 1.00 1.00 C ATOM 488 CG MET A 987 39.979 12.470 2.996 1.00 1.00 C ATOM 489 SD MET A 987 38.204 12.125 3.100 1.00 1.00 S ATOM 490 CE MET A 987 37.979 11.561 1.394 1.00 1.00 C ATOM 0 H MET A 987 42.139 10.959 3.834 1.00 1.00 H new ATOM 0 HA MET A 987 42.207 13.792 3.543 1.00 1.00 H new ATOM 0 HB2 MET A 987 40.355 11.891 5.049 1.00 1.00 H new ATOM 0 HB3 MET A 987 40.036 13.602 4.842 1.00 1.00 H new ATOM 0 HG2 MET A 987 40.154 13.330 2.350 1.00 1.00 H new ATOM 0 HG3 MET A 987 40.497 11.623 2.547 1.00 1.00 H new ATOM 0 HE1 MET A 987 36.939 11.275 1.240 1.00 1.00 H new ATOM 0 HE2 MET A 987 38.239 12.366 0.707 1.00 1.00 H new ATOM 0 HE3 MET A 987 38.623 10.702 1.207 1.00 1.00 H new ATOM 500 N TRP A 988 42.863 12.543 6.516 1.00 1.00 N ATOM 501 CA TRP A 988 43.417 12.864 7.825 1.00 1.00 C ATOM 502 C TRP A 988 44.798 13.499 7.672 1.00 1.00 C ATOM 503 O TRP A 988 45.138 14.454 8.364 1.00 1.00 O ATOM 504 CB TRP A 988 43.529 11.587 8.662 1.00 1.00 C ATOM 505 CG TRP A 988 44.364 11.837 9.879 1.00 1.00 C ATOM 506 CD1 TRP A 988 44.449 13.011 10.550 1.00 1.00 C ATOM 507 CD2 TRP A 988 45.239 10.906 10.578 1.00 1.00 C ATOM 508 NE1 TRP A 988 45.319 12.856 11.617 1.00 1.00 N ATOM 509 CE2 TRP A 988 45.831 11.576 11.675 1.00 1.00 C ATOM 510 CE3 TRP A 988 45.572 9.555 10.369 1.00 1.00 C ATOM 511 CZ2 TRP A 988 46.721 10.929 12.532 1.00 1.00 C ATOM 512 CZ3 TRP A 988 46.470 8.901 11.230 1.00 1.00 C ATOM 513 CH2 TRP A 988 47.043 9.586 12.309 1.00 1.00 C ATOM 0 H TRP A 988 42.701 11.549 6.358 1.00 1.00 H new ATOM 0 HA TRP A 988 42.756 13.571 8.325 1.00 1.00 H new ATOM 0 HB2 TRP A 988 42.536 11.249 8.957 1.00 1.00 H new ATOM 0 HB3 TRP A 988 43.973 10.790 8.065 1.00 1.00 H new ATOM 0 HD1 TRP A 988 43.924 13.920 10.295 1.00 1.00 H new ATOM 0 HE1 TRP A 988 45.552 13.597 12.278 1.00 1.00 H new ATOM 0 HE3 TRP A 988 45.134 9.017 9.541 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 47.159 11.462 13.363 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 46.720 7.864 11.059 1.00 1.00 H new ATOM 0 HH2 TRP A 988 47.732 9.078 12.968 1.00 1.00 H new ATOM 524 N LYS A 989 45.590 12.947 6.760 1.00 1.00 N ATOM 525 CA LYS A 989 46.940 13.446 6.518 1.00 1.00 C ATOM 526 C LYS A 989 46.884 14.780 5.774 1.00 1.00 C ATOM 527 O LYS A 989 47.886 15.484 5.666 1.00 1.00 O ATOM 528 CB LYS A 989 47.731 12.420 5.683 1.00 1.00 C ATOM 529 CG LYS A 989 48.864 11.763 6.509 1.00 1.00 C ATOM 530 CD LYS A 989 50.167 12.589 6.456 1.00 1.00 C ATOM 531 CE LYS A 989 50.118 13.759 7.446 1.00 1.00 C ATOM 532 NZ LYS A 989 51.492 14.301 7.636 1.00 1.00 N ATOM 0 H LYS A 989 45.322 12.155 6.176 1.00 1.00 H new ATOM 0 HA LYS A 989 47.438 13.596 7.476 1.00 1.00 H new ATOM 0 HB2 LYS A 989 47.053 11.649 5.316 1.00 1.00 H new ATOM 0 HB3 LYS A 989 48.156 12.912 4.809 1.00 1.00 H new ATOM 0 HG2 LYS A 989 48.543 11.657 7.545 1.00 1.00 H new ATOM 0 HG3 LYS A 989 49.055 10.759 6.130 1.00 1.00 H new ATOM 0 HD2 LYS A 989 51.018 11.948 6.687 1.00 1.00 H new ATOM 0 HD3 LYS A 989 50.320 12.969 5.446 1.00 1.00 H new ATOM 0 HE2 LYS A 989 49.455 14.539 7.072 1.00 1.00 H new ATOM 0 HE3 LYS A 989 49.711 13.426 8.401 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 51.462 15.095 8.307 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 52.111 13.554 8.011 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 51.863 14.633 6.723 1.00 1.00 H new ATOM 546 N VAL A 990 45.707 15.127 5.265 1.00 1.00 N ATOM 547 CA VAL A 990 45.546 16.384 4.545 1.00 1.00 C ATOM 548 C VAL A 990 45.164 17.487 5.525 1.00 1.00 C ATOM 549 O VAL A 990 45.301 18.675 5.234 1.00 1.00 O ATOM 550 CB VAL A 990 44.464 16.246 3.471 1.00 1.00 C ATOM 551 CG1 VAL A 990 44.054 17.633 2.975 1.00 1.00 C ATOM 552 CG2 VAL A 990 45.015 15.433 2.300 1.00 1.00 C ATOM 0 H VAL A 990 44.860 14.563 5.336 1.00 1.00 H new ATOM 0 HA VAL A 990 46.489 16.639 4.060 1.00 1.00 H new ATOM 0 HB VAL A 990 43.596 15.740 3.894 1.00 1.00 H new ATOM 0 HG11 VAL A 990 43.284 17.533 2.210 1.00 1.00 H new ATOM 0 HG12 VAL A 990 43.664 18.217 3.809 1.00 1.00 H new ATOM 0 HG13 VAL A 990 44.922 18.139 2.552 1.00 1.00 H new ATOM 0 HG21 VAL A 990 44.247 15.333 1.533 1.00 1.00 H new ATOM 0 HG22 VAL A 990 45.883 15.942 1.880 1.00 1.00 H new ATOM 0 HG23 VAL A 990 45.309 14.444 2.650 1.00 1.00 H new ATOM 562 N GLY A 991 44.689 17.076 6.697 1.00 1.00 N ATOM 563 CA GLY A 991 44.291 18.021 7.729 1.00 1.00 C ATOM 564 C GLY A 991 42.878 18.521 7.474 1.00 1.00 C ATOM 565 O GLY A 991 42.420 19.474 8.102 1.00 1.00 O ATOM 0 H GLY A 991 44.571 16.096 6.953 1.00 1.00 H new ATOM 0 HA2 GLY A 991 44.344 17.544 8.708 1.00 1.00 H new ATOM 0 HA3 GLY A 991 44.984 18.863 7.747 1.00 1.00 H new ATOM 569 N PHE A 992 42.195 17.866 6.544 1.00 1.00 N ATOM 570 CA PHE A 992 40.832 18.243 6.199 1.00 1.00 C ATOM 571 C PHE A 992 39.905 18.092 7.404 1.00 1.00 C ATOM 572 O PHE A 992 39.048 18.942 7.648 1.00 1.00 O ATOM 573 CB PHE A 992 40.341 17.375 5.032 1.00 1.00 C ATOM 574 CG PHE A 992 38.899 17.684 4.638 1.00 1.00 C ATOM 575 CD1 PHE A 992 38.349 18.981 4.747 1.00 1.00 C ATOM 576 CD2 PHE A 992 38.105 16.639 4.144 1.00 1.00 C ATOM 577 CE1 PHE A 992 37.022 19.211 4.360 1.00 1.00 C ATOM 578 CE2 PHE A 992 36.779 16.876 3.761 1.00 1.00 C ATOM 579 CZ PHE A 992 36.239 18.162 3.869 1.00 1.00 C ATOM 0 H PHE A 992 42.562 17.074 6.017 1.00 1.00 H new ATOM 0 HA PHE A 992 40.821 19.290 5.898 1.00 1.00 H new ATOM 0 HB2 PHE A 992 40.990 17.530 4.170 1.00 1.00 H new ATOM 0 HB3 PHE A 992 40.421 16.323 5.307 1.00 1.00 H new ATOM 0 HD1 PHE A 992 38.950 19.793 5.128 1.00 1.00 H new ATOM 0 HD2 PHE A 992 38.519 15.645 4.058 1.00 1.00 H new ATOM 0 HE1 PHE A 992 36.602 20.203 4.441 1.00 1.00 H new ATOM 0 HE2 PHE A 992 36.173 16.066 3.382 1.00 1.00 H new ATOM 0 HZ PHE A 992 35.217 18.345 3.573 1.00 1.00 H new ATOM 589 N PHE A 993 40.074 16.999 8.146 1.00 1.00 N ATOM 590 CA PHE A 993 39.230 16.745 9.315 1.00 1.00 C ATOM 591 C PHE A 993 39.892 17.213 10.607 1.00 1.00 C ATOM 592 O PHE A 993 39.309 17.086 11.684 1.00 1.00 O ATOM 593 CB PHE A 993 38.908 15.254 9.422 1.00 1.00 C ATOM 594 CG PHE A 993 37.883 14.889 8.375 1.00 1.00 C ATOM 595 CD1 PHE A 993 36.520 15.016 8.663 1.00 1.00 C ATOM 596 CD2 PHE A 993 38.296 14.426 7.123 1.00 1.00 C ATOM 597 CE1 PHE A 993 35.565 14.679 7.695 1.00 1.00 C ATOM 598 CE2 PHE A 993 37.343 14.088 6.152 1.00 1.00 C ATOM 599 CZ PHE A 993 35.977 14.214 6.439 1.00 1.00 C ATOM 0 H PHE A 993 40.777 16.283 7.963 1.00 1.00 H new ATOM 0 HA PHE A 993 38.310 17.314 9.179 1.00 1.00 H new ATOM 0 HB2 PHE A 993 39.814 14.664 9.282 1.00 1.00 H new ATOM 0 HB3 PHE A 993 38.527 15.023 10.417 1.00 1.00 H new ATOM 0 HD1 PHE A 993 36.204 15.374 9.632 1.00 1.00 H new ATOM 0 HD2 PHE A 993 39.349 14.329 6.903 1.00 1.00 H new ATOM 0 HE1 PHE A 993 34.513 14.777 7.917 1.00 1.00 H new ATOM 0 HE2 PHE A 993 37.661 13.731 5.184 1.00 1.00 H new ATOM 0 HZ PHE A 993 35.242 13.953 5.692 1.00 1.00 H new ATOM 609 N LYS A 994 41.101 17.756 10.501 1.00 1.00 N ATOM 610 CA LYS A 994 41.814 18.242 11.680 1.00 1.00 C ATOM 611 C LYS A 994 41.916 19.764 11.652 1.00 1.00 C ATOM 612 O LYS A 994 42.330 20.351 10.650 1.00 1.00 O ATOM 613 CB LYS A 994 43.216 17.629 11.732 1.00 1.00 C ATOM 614 CG LYS A 994 43.917 18.065 13.019 1.00 1.00 C ATOM 615 CD LYS A 994 45.293 17.407 13.105 1.00 1.00 C ATOM 616 CE LYS A 994 45.977 17.839 14.401 1.00 1.00 C ATOM 617 NZ LYS A 994 47.314 17.192 14.500 1.00 1.00 N ATOM 0 H LYS A 994 41.604 17.870 9.621 1.00 1.00 H new ATOM 0 HA LYS A 994 41.258 17.945 12.569 1.00 1.00 H new ATOM 0 HB2 LYS A 994 43.151 16.542 11.692 1.00 1.00 H new ATOM 0 HB3 LYS A 994 43.795 17.946 10.865 1.00 1.00 H new ATOM 0 HG2 LYS A 994 44.020 19.150 13.038 1.00 1.00 H new ATOM 0 HG3 LYS A 994 43.315 17.787 13.884 1.00 1.00 H new ATOM 0 HD2 LYS A 994 45.193 16.322 13.077 1.00 1.00 H new ATOM 0 HD3 LYS A 994 45.900 17.693 12.246 1.00 1.00 H new ATOM 0 HE2 LYS A 994 46.084 18.923 14.423 1.00 1.00 H new ATOM 0 HE3 LYS A 994 45.363 17.562 15.258 1.00 1.00 H new ATOM 0 HZ1 LYS A 994 47.778 17.487 15.383 1.00 1.00 H new ATOM 0 HZ2 LYS A 994 47.200 16.158 14.497 1.00 1.00 H new ATOM 0 HZ3 LYS A 994 47.899 17.478 13.689 1.00 1.00 H new ATOM 631 N ARG A 995 41.542 20.397 12.760 1.00 1.00 N ATOM 632 CA ARG A 995 41.598 21.845 12.862 1.00 1.00 C ATOM 633 C ARG A 995 42.239 22.224 14.183 1.00 1.00 C ATOM 634 O ARG A 995 42.164 21.467 15.150 1.00 1.00 O ATOM 635 CB ARG A 995 40.192 22.440 12.789 1.00 1.00 C ATOM 636 CG ARG A 995 39.619 22.252 11.382 1.00 1.00 C ATOM 637 CD ARG A 995 38.210 22.846 11.327 1.00 1.00 C ATOM 638 NE ARG A 995 37.645 22.687 9.992 1.00 1.00 N ATOM 639 CZ ARG A 995 36.589 23.395 9.605 1.00 1.00 C ATOM 640 NH1 ARG A 995 36.044 24.259 10.421 1.00 1.00 N ATOM 641 NH2 ARG A 995 36.098 23.230 8.408 1.00 1.00 N ATOM 0 H ARG A 995 41.198 19.927 13.597 1.00 1.00 H new ATOM 0 HA ARG A 995 42.187 22.238 12.034 1.00 1.00 H new ATOM 0 HB2 ARG A 995 39.545 21.958 13.522 1.00 1.00 H new ATOM 0 HB3 ARG A 995 40.223 23.500 13.040 1.00 1.00 H new ATOM 0 HG2 ARG A 995 40.260 22.739 10.647 1.00 1.00 H new ATOM 0 HG3 ARG A 995 39.590 21.193 11.127 1.00 1.00 H new ATOM 0 HD2 ARG A 995 37.572 22.353 12.060 1.00 1.00 H new ATOM 0 HD3 ARG A 995 38.243 23.903 11.592 1.00 1.00 H new ATOM 0 HE ARG A 995 38.067 22.021 9.345 1.00 1.00 H new ATOM 0 HH11 ARG A 995 36.429 24.390 11.356 1.00 1.00 H new ATOM 0 HH12 ARG A 995 35.234 24.802 10.122 1.00 1.00 H new ATOM 0 HH21 ARG A 995 36.524 22.558 7.770 1.00 1.00 H new ATOM 0 HH22 ARG A 995 35.288 23.773 8.110 1.00 1.00 H new ATOM 808 N ASP B 692 26.556 -15.898 -12.702 1.00 1.00 N ATOM 809 CA ASP B 692 28.008 -15.872 -12.746 1.00 1.00 C ATOM 810 C ASP B 692 28.567 -15.256 -11.473 1.00 1.00 C ATOM 811 O ASP B 692 27.986 -14.326 -10.914 1.00 1.00 O ATOM 812 CB ASP B 692 28.479 -15.068 -13.959 1.00 1.00 C ATOM 813 CG ASP B 692 28.184 -15.841 -15.240 1.00 1.00 C ATOM 814 OD1 ASP B 692 27.898 -17.024 -15.142 1.00 1.00 O ATOM 815 OD2 ASP B 692 28.250 -15.240 -16.298 1.00 1.00 O ATOM 0 HA ASP B 692 28.371 -16.896 -12.829 1.00 1.00 H new ATOM 0 HB2 ASP B 692 27.976 -14.101 -13.983 1.00 1.00 H new ATOM 0 HB3 ASP B 692 29.548 -14.869 -13.882 1.00 1.00 H new ATOM 820 N ILE B 693 29.696 -15.777 -11.019 1.00 1.00 N ATOM 821 CA ILE B 693 30.324 -15.264 -9.811 1.00 1.00 C ATOM 822 C ILE B 693 30.775 -13.823 -10.031 1.00 1.00 C ATOM 823 O ILE B 693 30.896 -13.052 -9.080 1.00 1.00 O ATOM 824 CB ILE B 693 31.503 -16.149 -9.385 1.00 1.00 C ATOM 825 CG1 ILE B 693 31.999 -15.715 -8.000 1.00 1.00 C ATOM 826 CG2 ILE B 693 32.637 -16.023 -10.393 1.00 1.00 C ATOM 827 CD1 ILE B 693 32.955 -16.771 -7.449 1.00 1.00 C ATOM 0 H ILE B 693 30.193 -16.548 -11.464 1.00 1.00 H new ATOM 0 HA ILE B 693 29.592 -15.281 -9.004 1.00 1.00 H new ATOM 0 HB ILE B 693 31.173 -17.187 -9.345 1.00 1.00 H new ATOM 0 HG12 ILE B 693 32.504 -14.752 -8.068 1.00 1.00 H new ATOM 0 HG13 ILE B 693 31.154 -15.585 -7.323 1.00 1.00 H new ATOM 0 HG21 ILE B 693 33.470 -16.654 -10.084 1.00 1.00 H new ATOM 0 HG22 ILE B 693 32.287 -16.339 -11.376 1.00 1.00 H new ATOM 0 HG23 ILE B 693 32.967 -14.985 -10.442 1.00 1.00 H new ATOM 0 HD11 ILE B 693 33.308 -16.464 -6.465 1.00 1.00 H new ATOM 0 HD12 ILE B 693 32.435 -17.725 -7.366 1.00 1.00 H new ATOM 0 HD13 ILE B 693 33.805 -16.879 -8.122 1.00 1.00 H new ATOM 839 N LEU B 694 31.007 -13.454 -11.291 1.00 1.00 N ATOM 840 CA LEU B 694 31.423 -12.087 -11.598 1.00 1.00 C ATOM 841 C LEU B 694 30.328 -11.116 -11.169 1.00 1.00 C ATOM 842 O LEU B 694 30.606 -10.068 -10.590 1.00 1.00 O ATOM 843 CB LEU B 694 31.675 -11.919 -13.103 1.00 1.00 C ATOM 844 CG LEU B 694 33.083 -12.407 -13.475 1.00 1.00 C ATOM 845 CD1 LEU B 694 34.146 -11.485 -12.866 1.00 1.00 C ATOM 846 CD2 LEU B 694 33.288 -13.825 -12.956 1.00 1.00 C ATOM 0 H LEU B 694 30.916 -14.069 -12.100 1.00 1.00 H new ATOM 0 HA LEU B 694 32.347 -11.878 -11.059 1.00 1.00 H new ATOM 0 HB2 LEU B 694 30.929 -12.480 -13.667 1.00 1.00 H new ATOM 0 HB3 LEU B 694 31.563 -10.871 -13.381 1.00 1.00 H new ATOM 0 HG LEU B 694 33.181 -12.394 -14.560 1.00 1.00 H new ATOM 0 HD11 LEU B 694 35.138 -11.844 -13.139 1.00 1.00 H new ATOM 0 HD12 LEU B 694 34.010 -10.472 -13.245 1.00 1.00 H new ATOM 0 HD13 LEU B 694 34.047 -11.482 -11.781 1.00 1.00 H new ATOM 0 HD21 LEU B 694 34.288 -14.169 -13.221 1.00 1.00 H new ATOM 0 HD22 LEU B 694 33.177 -13.835 -11.872 1.00 1.00 H new ATOM 0 HD23 LEU B 694 32.546 -14.487 -13.403 1.00 1.00 H new ATOM 858 N VAL B 695 29.080 -11.486 -11.445 1.00 1.00 N ATOM 859 CA VAL B 695 27.944 -10.652 -11.070 1.00 1.00 C ATOM 860 C VAL B 695 27.865 -10.543 -9.554 1.00 1.00 C ATOM 861 O VAL B 695 27.648 -9.464 -9.003 1.00 1.00 O ATOM 862 CB VAL B 695 26.646 -11.256 -11.607 1.00 1.00 C ATOM 863 CG1 VAL B 695 25.452 -10.494 -11.029 1.00 1.00 C ATOM 864 CG2 VAL B 695 26.625 -11.146 -13.134 1.00 1.00 C ATOM 0 H VAL B 695 28.832 -12.352 -11.924 1.00 1.00 H new ATOM 0 HA VAL B 695 28.079 -9.659 -11.500 1.00 1.00 H new ATOM 0 HB VAL B 695 26.587 -12.305 -11.315 1.00 1.00 H new ATOM 0 HG11 VAL B 695 24.526 -10.924 -11.411 1.00 1.00 H new ATOM 0 HG12 VAL B 695 25.465 -10.568 -9.942 1.00 1.00 H new ATOM 0 HG13 VAL B 695 25.513 -9.446 -11.322 1.00 1.00 H new ATOM 0 HG21 VAL B 695 25.700 -11.577 -13.517 1.00 1.00 H new ATOM 0 HG22 VAL B 695 26.684 -10.097 -13.424 1.00 1.00 H new ATOM 0 HG23 VAL B 695 27.476 -11.686 -13.549 1.00 1.00 H new ATOM 874 N VAL B 696 28.044 -11.677 -8.890 1.00 1.00 N ATOM 875 CA VAL B 696 27.996 -11.724 -7.434 1.00 1.00 C ATOM 876 C VAL B 696 29.105 -10.866 -6.830 1.00 1.00 C ATOM 877 O VAL B 696 28.873 -10.117 -5.880 1.00 1.00 O ATOM 878 CB VAL B 696 28.143 -13.169 -6.952 1.00 1.00 C ATOM 879 CG1 VAL B 696 28.303 -13.191 -5.431 1.00 1.00 C ATOM 880 CG2 VAL B 696 26.892 -13.958 -7.340 1.00 1.00 C ATOM 0 H VAL B 696 28.224 -12.577 -9.336 1.00 1.00 H new ATOM 0 HA VAL B 696 27.033 -11.330 -7.109 1.00 1.00 H new ATOM 0 HB VAL B 696 29.022 -13.618 -7.414 1.00 1.00 H new ATOM 0 HG11 VAL B 696 28.407 -14.221 -5.091 1.00 1.00 H new ATOM 0 HG12 VAL B 696 29.191 -12.625 -5.150 1.00 1.00 H new ATOM 0 HG13 VAL B 696 27.425 -12.743 -4.966 1.00 1.00 H new ATOM 0 HG21 VAL B 696 26.991 -14.988 -6.999 1.00 1.00 H new ATOM 0 HG22 VAL B 696 26.017 -13.505 -6.875 1.00 1.00 H new ATOM 0 HG23 VAL B 696 26.775 -13.944 -8.424 1.00 1.00 H new ATOM 890 N LEU B 697 30.311 -10.985 -7.383 1.00 1.00 N ATOM 891 CA LEU B 697 31.444 -10.219 -6.879 1.00 1.00 C ATOM 892 C LEU B 697 31.192 -8.722 -7.035 1.00 1.00 C ATOM 893 O LEU B 697 31.481 -7.936 -6.132 1.00 1.00 O ATOM 894 CB LEU B 697 32.715 -10.606 -7.646 1.00 1.00 C ATOM 895 CG LEU B 697 33.260 -11.939 -7.118 1.00 1.00 C ATOM 896 CD1 LEU B 697 34.321 -12.471 -8.084 1.00 1.00 C ATOM 897 CD2 LEU B 697 33.898 -11.747 -5.734 1.00 1.00 C ATOM 0 H LEU B 697 30.525 -11.597 -8.170 1.00 1.00 H new ATOM 0 HA LEU B 697 31.571 -10.446 -5.820 1.00 1.00 H new ATOM 0 HB2 LEU B 697 32.496 -10.689 -8.711 1.00 1.00 H new ATOM 0 HB3 LEU B 697 33.468 -9.826 -7.535 1.00 1.00 H new ATOM 0 HG LEU B 697 32.435 -12.647 -7.036 1.00 1.00 H new ATOM 0 HD11 LEU B 697 34.710 -13.418 -7.711 1.00 1.00 H new ATOM 0 HD12 LEU B 697 33.875 -12.624 -9.067 1.00 1.00 H new ATOM 0 HD13 LEU B 697 35.135 -11.750 -8.163 1.00 1.00 H new ATOM 0 HD21 LEU B 697 34.280 -12.702 -5.374 1.00 1.00 H new ATOM 0 HD22 LEU B 697 34.718 -11.033 -5.807 1.00 1.00 H new ATOM 0 HD23 LEU B 697 33.149 -11.369 -5.037 1.00 1.00 H new ATOM 909 N LEU B 698 30.650 -8.327 -8.180 1.00 1.00 N ATOM 910 CA LEU B 698 30.368 -6.921 -8.419 1.00 1.00 C ATOM 911 C LEU B 698 29.312 -6.388 -7.446 1.00 1.00 C ATOM 912 O LEU B 698 29.435 -5.276 -6.933 1.00 1.00 O ATOM 913 CB LEU B 698 29.882 -6.725 -9.857 1.00 1.00 C ATOM 914 CG LEU B 698 31.042 -6.960 -10.831 1.00 1.00 C ATOM 915 CD1 LEU B 698 30.502 -7.005 -12.259 1.00 1.00 C ATOM 916 CD2 LEU B 698 32.082 -5.833 -10.723 1.00 1.00 C ATOM 0 H LEU B 698 30.400 -8.952 -8.947 1.00 1.00 H new ATOM 0 HA LEU B 698 31.291 -6.363 -8.260 1.00 1.00 H new ATOM 0 HB2 LEU B 698 29.067 -7.416 -10.073 1.00 1.00 H new ATOM 0 HB3 LEU B 698 29.487 -5.717 -9.983 1.00 1.00 H new ATOM 0 HG LEU B 698 31.521 -7.906 -10.578 1.00 1.00 H new ATOM 0 HD11 LEU B 698 31.325 -7.172 -12.954 1.00 1.00 H new ATOM 0 HD12 LEU B 698 29.780 -7.817 -12.350 1.00 1.00 H new ATOM 0 HD13 LEU B 698 30.015 -6.058 -12.494 1.00 1.00 H new ATOM 0 HD21 LEU B 698 32.896 -6.021 -11.423 1.00 1.00 H new ATOM 0 HD22 LEU B 698 31.611 -4.879 -10.961 1.00 1.00 H new ATOM 0 HD23 LEU B 698 32.477 -5.799 -9.708 1.00 1.00 H new ATOM 928 N SER B 699 28.264 -7.180 -7.216 1.00 1.00 N ATOM 929 CA SER B 699 27.179 -6.761 -6.324 1.00 1.00 C ATOM 930 C SER B 699 27.659 -6.518 -4.891 1.00 1.00 C ATOM 931 O SER B 699 27.303 -5.510 -4.278 1.00 1.00 O ATOM 932 CB SER B 699 26.083 -7.827 -6.313 1.00 1.00 C ATOM 933 OG SER B 699 25.552 -7.962 -7.626 1.00 1.00 O ATOM 0 H SER B 699 28.142 -8.105 -7.629 1.00 1.00 H new ATOM 0 HA SER B 699 26.793 -5.817 -6.708 1.00 1.00 H new ATOM 0 HB2 SER B 699 26.488 -8.779 -5.971 1.00 1.00 H new ATOM 0 HB3 SER B 699 25.294 -7.548 -5.615 1.00 1.00 H new ATOM 0 HG SER B 699 26.185 -8.458 -8.186 1.00 1.00 H new ATOM 939 N VAL B 700 28.462 -7.436 -4.355 1.00 1.00 N ATOM 940 CA VAL B 700 28.958 -7.283 -2.988 1.00 1.00 C ATOM 941 C VAL B 700 29.898 -6.085 -2.871 1.00 1.00 C ATOM 942 O VAL B 700 29.875 -5.367 -1.870 1.00 1.00 O ATOM 943 CB VAL B 700 29.647 -8.565 -2.514 1.00 1.00 C ATOM 944 CG1 VAL B 700 30.811 -8.898 -3.435 1.00 1.00 C ATOM 945 CG2 VAL B 700 30.166 -8.373 -1.089 1.00 1.00 C ATOM 0 H VAL B 700 28.778 -8.278 -4.835 1.00 1.00 H new ATOM 0 HA VAL B 700 28.101 -7.097 -2.341 1.00 1.00 H new ATOM 0 HB VAL B 700 28.927 -9.383 -2.533 1.00 1.00 H new ATOM 0 HG11 VAL B 700 31.297 -9.811 -3.092 1.00 1.00 H new ATOM 0 HG12 VAL B 700 30.442 -9.043 -4.450 1.00 1.00 H new ATOM 0 HG13 VAL B 700 31.530 -8.079 -3.424 1.00 1.00 H new ATOM 0 HG21 VAL B 700 30.656 -9.287 -0.754 1.00 1.00 H new ATOM 0 HG22 VAL B 700 30.881 -7.550 -1.070 1.00 1.00 H new ATOM 0 HG23 VAL B 700 29.332 -8.145 -0.426 1.00 1.00 H new ATOM 955 N MET B 701 30.722 -5.876 -3.901 1.00 1.00 N ATOM 956 CA MET B 701 31.665 -4.763 -3.896 1.00 1.00 C ATOM 957 C MET B 701 30.927 -3.426 -3.864 1.00 1.00 C ATOM 958 O MET B 701 31.338 -2.492 -3.182 1.00 1.00 O ATOM 959 CB MET B 701 32.545 -4.819 -5.139 1.00 1.00 C ATOM 960 CG MET B 701 33.589 -5.926 -4.975 1.00 1.00 C ATOM 961 SD MET B 701 34.556 -6.111 -6.493 1.00 1.00 S ATOM 962 CE MET B 701 35.443 -4.544 -6.404 1.00 1.00 C ATOM 0 H MET B 701 30.753 -6.457 -4.738 1.00 1.00 H new ATOM 0 HA MET B 701 32.283 -4.848 -3.002 1.00 1.00 H new ATOM 0 HB2 MET B 701 31.934 -5.008 -6.022 1.00 1.00 H new ATOM 0 HB3 MET B 701 33.038 -3.859 -5.292 1.00 1.00 H new ATOM 0 HG2 MET B 701 34.250 -5.690 -4.141 1.00 1.00 H new ATOM 0 HG3 MET B 701 33.095 -6.867 -4.734 1.00 1.00 H new ATOM 0 HE1 MET B 701 36.363 -4.613 -6.984 1.00 1.00 H new ATOM 0 HE2 MET B 701 34.818 -3.748 -6.809 1.00 1.00 H new ATOM 0 HE3 MET B 701 35.685 -4.322 -5.365 1.00 1.00 H new ATOM 972 N GLY B 702 29.840 -3.343 -4.611 1.00 1.00 N ATOM 973 CA GLY B 702 29.049 -2.118 -4.660 1.00 1.00 C ATOM 974 C GLY B 702 28.445 -1.809 -3.285 1.00 1.00 C ATOM 975 O GLY B 702 28.352 -0.649 -2.868 1.00 1.00 O ATOM 0 H GLY B 702 29.483 -4.103 -5.190 1.00 1.00 H new ATOM 0 HA2 GLY B 702 29.676 -1.287 -4.983 1.00 1.00 H new ATOM 0 HA3 GLY B 702 28.253 -2.222 -5.398 1.00 1.00 H new ATOM 979 N ALA B 703 28.021 -2.850 -2.583 1.00 1.00 N ATOM 980 CA ALA B 703 27.428 -2.651 -1.258 1.00 1.00 C ATOM 981 C ALA B 703 28.446 -2.017 -0.298 1.00 1.00 C ATOM 982 O ALA B 703 28.126 -1.050 0.418 1.00 1.00 O ATOM 983 CB ALA B 703 26.947 -3.975 -0.676 1.00 1.00 C ATOM 0 H ALA B 703 28.072 -3.820 -2.894 1.00 1.00 H new ATOM 0 HA ALA B 703 26.576 -1.981 -1.374 1.00 1.00 H new ATOM 0 HB1 ALA B 703 26.511 -3.803 0.308 1.00 1.00 H new ATOM 0 HB2 ALA B 703 26.196 -4.411 -1.335 1.00 1.00 H new ATOM 0 HB3 ALA B 703 27.790 -4.660 -0.584 1.00 1.00 H new ATOM 989 N ILE B 704 29.686 -2.537 -0.319 1.00 1.00 N ATOM 990 CA ILE B 704 30.744 -1.985 0.541 1.00 1.00 C ATOM 991 C ILE B 704 31.014 -0.524 0.185 1.00 1.00 C ATOM 992 O ILE B 704 31.182 0.330 1.059 1.00 1.00 O ATOM 993 CB ILE B 704 32.028 -2.784 0.424 1.00 1.00 C ATOM 994 CG1 ILE B 704 31.753 -4.261 0.747 1.00 1.00 C ATOM 995 CG2 ILE B 704 33.103 -2.193 1.339 1.00 1.00 C ATOM 996 CD1 ILE B 704 31.261 -4.414 2.198 1.00 1.00 C ATOM 0 H ILE B 704 29.974 -3.319 -0.907 1.00 1.00 H new ATOM 0 HA ILE B 704 30.394 -2.047 1.571 1.00 1.00 H new ATOM 0 HB ILE B 704 32.401 -2.728 -0.599 1.00 1.00 H new ATOM 0 HG12 ILE B 704 31.005 -4.656 0.060 1.00 1.00 H new ATOM 0 HG13 ILE B 704 32.661 -4.846 0.601 1.00 1.00 H new ATOM 0 HG21 ILE B 704 34.020 -2.775 1.246 1.00 1.00 H new ATOM 0 HG22 ILE B 704 33.298 -1.160 1.051 1.00 1.00 H new ATOM 0 HG23 ILE B 704 32.758 -2.222 2.372 1.00 1.00 H new ATOM 0 HD11 ILE B 704 31.071 -5.466 2.409 1.00 1.00 H new ATOM 0 HD12 ILE B 704 32.022 -4.038 2.882 1.00 1.00 H new ATOM 0 HD13 ILE B 704 30.341 -3.846 2.332 1.00 1.00 H new ATOM 1008 N LEU B 705 31.072 -0.247 -1.111 1.00 1.00 N ATOM 1009 CA LEU B 705 31.338 1.100 -1.576 1.00 1.00 C ATOM 1010 C LEU B 705 30.261 2.067 -1.126 1.00 1.00 C ATOM 1011 O LEU B 705 30.546 3.207 -0.744 1.00 1.00 O ATOM 1012 CB LEU B 705 31.437 1.125 -3.092 1.00 1.00 C ATOM 1013 CG LEU B 705 32.703 0.393 -3.544 1.00 1.00 C ATOM 1014 CD1 LEU B 705 32.690 0.236 -5.068 1.00 1.00 C ATOM 1015 CD2 LEU B 705 33.948 1.184 -3.122 1.00 1.00 C ATOM 0 H LEU B 705 30.939 -0.935 -1.852 1.00 1.00 H new ATOM 0 HA LEU B 705 32.287 1.415 -1.141 1.00 1.00 H new ATOM 0 HB2 LEU B 705 30.558 0.653 -3.530 1.00 1.00 H new ATOM 0 HB3 LEU B 705 31.456 2.155 -3.447 1.00 1.00 H new ATOM 0 HG LEU B 705 32.730 -0.591 -3.076 1.00 1.00 H new ATOM 0 HD11 LEU B 705 33.592 -0.285 -5.388 1.00 1.00 H new ATOM 0 HD12 LEU B 705 31.813 -0.339 -5.367 1.00 1.00 H new ATOM 0 HD13 LEU B 705 32.655 1.220 -5.535 1.00 1.00 H new ATOM 0 HD21 LEU B 705 34.843 0.655 -3.448 1.00 1.00 H new ATOM 0 HD22 LEU B 705 33.924 2.173 -3.580 1.00 1.00 H new ATOM 0 HD23 LEU B 705 33.963 1.287 -2.037 1.00 1.00 H new ATOM 1027 N LEU B 706 29.021 1.615 -1.168 1.00 1.00 N ATOM 1028 CA LEU B 706 27.911 2.479 -0.749 1.00 1.00 C ATOM 1029 C LEU B 706 28.077 2.875 0.731 1.00 1.00 C ATOM 1030 O LEU B 706 27.890 4.040 1.092 1.00 1.00 O ATOM 1031 CB LEU B 706 26.581 1.721 -0.920 1.00 1.00 C ATOM 1032 CG LEU B 706 25.405 2.590 -0.462 1.00 1.00 C ATOM 1033 CD1 LEU B 706 25.377 3.904 -1.241 1.00 1.00 C ATOM 1034 CD2 LEU B 706 24.116 1.838 -0.746 1.00 1.00 C ATOM 0 H LEU B 706 28.752 0.681 -1.478 1.00 1.00 H new ATOM 0 HA LEU B 706 27.910 3.378 -1.365 1.00 1.00 H new ATOM 0 HB2 LEU B 706 26.448 1.440 -1.965 1.00 1.00 H new ATOM 0 HB3 LEU B 706 26.605 0.797 -0.342 1.00 1.00 H new ATOM 0 HG LEU B 706 25.511 2.806 0.601 1.00 1.00 H new ATOM 0 HD11 LEU B 706 24.536 4.509 -0.903 1.00 1.00 H new ATOM 0 HD12 LEU B 706 26.306 4.448 -1.071 1.00 1.00 H new ATOM 0 HD13 LEU B 706 25.269 3.694 -2.305 1.00 1.00 H new ATOM 0 HD21 LEU B 706 23.265 2.440 -0.427 1.00 1.00 H new ATOM 0 HD22 LEU B 706 24.039 1.639 -1.815 1.00 1.00 H new ATOM 0 HD23 LEU B 706 24.117 0.894 -0.200 1.00 1.00 H new ATOM 1046 N ILE B 707 28.454 1.917 1.579 1.00 1.00 N ATOM 1047 CA ILE B 707 28.656 2.205 3.010 1.00 1.00 C ATOM 1048 C ILE B 707 29.830 3.198 3.174 1.00 1.00 C ATOM 1049 O ILE B 707 29.790 4.141 3.978 1.00 1.00 O ATOM 1050 CB ILE B 707 28.945 0.923 3.812 1.00 1.00 C ATOM 1051 CG1 ILE B 707 27.792 -0.088 3.631 1.00 1.00 C ATOM 1052 CG2 ILE B 707 29.115 1.254 5.305 1.00 1.00 C ATOM 1053 CD1 ILE B 707 26.464 0.509 4.098 1.00 1.00 C ATOM 0 H ILE B 707 28.625 0.948 1.311 1.00 1.00 H new ATOM 0 HA ILE B 707 27.737 2.643 3.400 1.00 1.00 H new ATOM 0 HB ILE B 707 29.869 0.482 3.439 1.00 1.00 H new ATOM 0 HG12 ILE B 707 27.717 -0.376 2.582 1.00 1.00 H new ATOM 0 HG13 ILE B 707 28.006 -0.995 4.196 1.00 1.00 H new ATOM 0 HG21 ILE B 707 29.319 0.338 5.860 1.00 1.00 H new ATOM 0 HG22 ILE B 707 29.946 1.948 5.432 1.00 1.00 H new ATOM 0 HG23 ILE B 707 28.200 1.711 5.683 1.00 1.00 H new ATOM 0 HD11 ILE B 707 25.668 -0.223 3.960 1.00 1.00 H new ATOM 0 HD12 ILE B 707 26.535 0.774 5.153 1.00 1.00 H new ATOM 0 HD13 ILE B 707 26.241 1.402 3.514 1.00 1.00 H new ATOM 1065 N GLY B 708 30.901 2.968 2.403 1.00 1.00 N ATOM 1066 CA GLY B 708 32.093 3.853 2.483 1.00 1.00 C ATOM 1067 C GLY B 708 31.679 5.276 2.135 1.00 1.00 C ATOM 1068 O GLY B 708 32.072 6.225 2.807 1.00 1.00 O ATOM 0 H GLY B 708 30.977 2.203 1.733 1.00 1.00 H new ATOM 0 HA2 GLY B 708 32.520 3.820 3.485 1.00 1.00 H new ATOM 0 HA3 GLY B 708 32.865 3.507 1.796 1.00 1.00 H new ATOM 1072 N LEU B 709 30.853 5.409 1.086 1.00 1.00 N ATOM 1073 CA LEU B 709 30.372 6.723 0.671 1.00 1.00 C ATOM 1074 C LEU B 709 29.520 7.352 1.772 1.00 1.00 C ATOM 1075 O LEU B 709 29.639 8.545 2.067 1.00 1.00 O ATOM 1076 CB LEU B 709 29.550 6.589 -0.617 1.00 1.00 C ATOM 1077 CG LEU B 709 29.043 7.958 -1.084 1.00 1.00 C ATOM 1078 CD1 LEU B 709 30.221 8.899 -1.332 1.00 1.00 C ATOM 1079 CD2 LEU B 709 28.262 7.786 -2.391 1.00 1.00 C ATOM 0 H LEU B 709 30.512 4.631 0.521 1.00 1.00 H new ATOM 0 HA LEU B 709 31.230 7.370 0.485 1.00 1.00 H new ATOM 0 HB2 LEU B 709 30.161 6.137 -1.398 1.00 1.00 H new ATOM 0 HB3 LEU B 709 28.705 5.922 -0.447 1.00 1.00 H new ATOM 0 HG LEU B 709 28.400 8.381 -0.312 1.00 1.00 H new ATOM 0 HD11 LEU B 709 29.849 9.868 -1.663 1.00 1.00 H new ATOM 0 HD12 LEU B 709 30.787 9.024 -0.409 1.00 1.00 H new ATOM 0 HD13 LEU B 709 30.868 8.477 -2.101 1.00 1.00 H new ATOM 0 HD21 LEU B 709 27.899 8.757 -2.728 1.00 1.00 H new ATOM 0 HD22 LEU B 709 28.915 7.359 -3.152 1.00 1.00 H new ATOM 0 HD23 LEU B 709 27.416 7.120 -2.224 1.00 1.00 H new ATOM 1091 N ALA B 710 28.655 6.539 2.382 1.00 1.00 N ATOM 1092 CA ALA B 710 27.790 7.027 3.452 1.00 1.00 C ATOM 1093 C ALA B 710 28.613 7.477 4.656 1.00 1.00 C ATOM 1094 O ALA B 710 28.296 8.486 5.293 1.00 1.00 O ATOM 1095 CB ALA B 710 26.818 5.928 3.878 1.00 1.00 C ATOM 0 H ALA B 710 28.537 5.552 2.155 1.00 1.00 H new ATOM 0 HA ALA B 710 27.231 7.883 3.074 1.00 1.00 H new ATOM 0 HB1 ALA B 710 26.176 6.300 4.677 1.00 1.00 H new ATOM 0 HB2 ALA B 710 26.205 5.635 3.026 1.00 1.00 H new ATOM 0 HB3 ALA B 710 27.379 5.065 4.236 1.00 1.00 H new ATOM 1101 N ALA B 711 29.673 6.724 4.962 1.00 1.00 N ATOM 1102 CA ALA B 711 30.532 7.056 6.090 1.00 1.00 C ATOM 1103 C ALA B 711 31.216 8.400 5.857 1.00 1.00 C ATOM 1104 O ALA B 711 31.349 9.211 6.775 1.00 1.00 O ATOM 1105 CB ALA B 711 31.592 5.962 6.289 1.00 1.00 C ATOM 0 H ALA B 711 29.951 5.889 4.447 1.00 1.00 H new ATOM 0 HA ALA B 711 29.916 7.123 6.987 1.00 1.00 H new ATOM 0 HB1 ALA B 711 32.228 6.221 7.135 1.00 1.00 H new ATOM 0 HB2 ALA B 711 31.100 5.009 6.484 1.00 1.00 H new ATOM 0 HB3 ALA B 711 32.201 5.878 5.389 1.00 1.00 H new ATOM 1111 N LEU B 712 31.635 8.634 4.617 1.00 1.00 N ATOM 1112 CA LEU B 712 32.287 9.890 4.268 1.00 1.00 C ATOM 1113 C LEU B 712 31.316 11.051 4.464 1.00 1.00 C ATOM 1114 O LEU B 712 31.688 12.103 4.984 1.00 1.00 O ATOM 1115 CB LEU B 712 32.758 9.842 2.808 1.00 1.00 C ATOM 1116 CG LEU B 712 33.432 11.168 2.416 1.00 1.00 C ATOM 1117 CD1 LEU B 712 34.617 11.446 3.342 1.00 1.00 C ATOM 1118 CD2 LEU B 712 33.940 11.080 0.974 1.00 1.00 C ATOM 0 H LEU B 712 31.536 7.976 3.844 1.00 1.00 H new ATOM 0 HA LEU B 712 33.151 10.037 4.917 1.00 1.00 H new ATOM 0 HB2 LEU B 712 33.458 9.017 2.672 1.00 1.00 H new ATOM 0 HB3 LEU B 712 31.909 9.651 2.152 1.00 1.00 H new ATOM 0 HG LEU B 712 32.703 11.973 2.505 1.00 1.00 H new ATOM 0 HD11 LEU B 712 35.088 12.387 3.057 1.00 1.00 H new ATOM 0 HD12 LEU B 712 34.266 11.513 4.372 1.00 1.00 H new ATOM 0 HD13 LEU B 712 35.342 10.637 3.258 1.00 1.00 H new ATOM 0 HD21 LEU B 712 34.417 12.020 0.698 1.00 1.00 H new ATOM 0 HD22 LEU B 712 34.663 10.268 0.892 1.00 1.00 H new ATOM 0 HD23 LEU B 712 33.102 10.888 0.304 1.00 1.00 H new ATOM 1130 N LEU B 713 30.072 10.852 4.037 1.00 1.00 N ATOM 1131 CA LEU B 713 29.057 11.891 4.163 1.00 1.00 C ATOM 1132 C LEU B 713 28.801 12.217 5.631 1.00 1.00 C ATOM 1133 O LEU B 713 28.667 13.384 5.998 1.00 1.00 O ATOM 1134 CB LEU B 713 27.756 11.434 3.498 1.00 1.00 C ATOM 1135 CG LEU B 713 27.948 11.377 1.978 1.00 1.00 C ATOM 1136 CD1 LEU B 713 26.730 10.711 1.335 1.00 1.00 C ATOM 1137 CD2 LEU B 713 28.119 12.793 1.404 1.00 1.00 C ATOM 0 H LEU B 713 29.745 9.988 3.604 1.00 1.00 H new ATOM 0 HA LEU B 713 29.420 12.790 3.665 1.00 1.00 H new ATOM 0 HB2 LEU B 713 27.468 10.453 3.875 1.00 1.00 H new ATOM 0 HB3 LEU B 713 26.947 12.121 3.747 1.00 1.00 H new ATOM 0 HG LEU B 713 28.845 10.798 1.759 1.00 1.00 H new ATOM 0 HD11 LEU B 713 26.866 10.670 0.254 1.00 1.00 H new ATOM 0 HD12 LEU B 713 26.620 9.699 1.725 1.00 1.00 H new ATOM 0 HD13 LEU B 713 25.835 11.288 1.567 1.00 1.00 H new ATOM 0 HD21 LEU B 713 28.254 12.734 0.324 1.00 1.00 H new ATOM 0 HD22 LEU B 713 27.232 13.386 1.627 1.00 1.00 H new ATOM 0 HD23 LEU B 713 28.993 13.265 1.854 1.00 1.00 H new ATOM 1149 N ILE B 714 28.740 11.189 6.472 1.00 1.00 N ATOM 1150 CA ILE B 714 28.501 11.401 7.895 1.00 1.00 C ATOM 1151 C ILE B 714 29.647 12.195 8.513 1.00 1.00 C ATOM 1152 O ILE B 714 29.421 13.127 9.285 1.00 1.00 O ATOM 1153 CB ILE B 714 28.357 10.049 8.606 1.00 1.00 C ATOM 1154 CG1 ILE B 714 27.060 9.374 8.144 1.00 1.00 C ATOM 1155 CG2 ILE B 714 28.303 10.277 10.117 1.00 1.00 C ATOM 1156 CD1 ILE B 714 27.034 7.917 8.621 1.00 1.00 C ATOM 0 H ILE B 714 28.851 10.213 6.197 1.00 1.00 H new ATOM 0 HA ILE B 714 27.579 11.969 8.015 1.00 1.00 H new ATOM 0 HB ILE B 714 29.208 9.412 8.365 1.00 1.00 H new ATOM 0 HG12 ILE B 714 26.198 9.911 8.540 1.00 1.00 H new ATOM 0 HG13 ILE B 714 26.987 9.412 7.057 1.00 1.00 H new ATOM 0 HG21 ILE B 714 28.201 9.319 10.626 1.00 1.00 H new ATOM 0 HG22 ILE B 714 29.221 10.766 10.444 1.00 1.00 H new ATOM 0 HG23 ILE B 714 27.449 10.910 10.359 1.00 1.00 H new ATOM 0 HD11 ILE B 714 26.110 7.442 8.290 1.00 1.00 H new ATOM 0 HD12 ILE B 714 27.887 7.382 8.203 1.00 1.00 H new ATOM 0 HD13 ILE B 714 27.086 7.889 9.709 1.00 1.00 H new ATOM 1168 N TRP B 715 30.873 11.829 8.158 1.00 1.00 N ATOM 1169 CA TRP B 715 32.051 12.519 8.672 1.00 1.00 C ATOM 1170 C TRP B 715 32.013 13.976 8.211 1.00 1.00 C ATOM 1171 O TRP B 715 32.262 14.908 8.980 1.00 1.00 O ATOM 1172 CB TRP B 715 33.316 11.839 8.137 1.00 1.00 C ATOM 1173 CG TRP B 715 34.446 11.976 9.117 1.00 1.00 C ATOM 1174 CD1 TRP B 715 34.632 13.010 9.969 1.00 1.00 C ATOM 1175 CD2 TRP B 715 35.541 11.044 9.365 1.00 1.00 C ATOM 1176 NE1 TRP B 715 35.782 12.784 10.705 1.00 1.00 N ATOM 1177 CE2 TRP B 715 36.373 11.583 10.375 1.00 1.00 C ATOM 1178 CE3 TRP B 715 35.896 9.797 8.814 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 37.510 10.914 10.822 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 37.039 9.121 9.266 1.00 1.00 C ATOM 1181 CH2 TRP B 715 37.844 9.679 10.268 1.00 1.00 C ATOM 0 H TRP B 715 31.078 11.061 7.519 1.00 1.00 H new ATOM 0 HA TRP B 715 32.059 12.479 9.761 1.00 1.00 H new ATOM 0 HB2 TRP B 715 33.116 10.784 7.949 1.00 1.00 H new ATOM 0 HB3 TRP B 715 33.599 12.284 7.183 1.00 1.00 H new ATOM 0 HD1 TRP B 715 33.988 13.872 10.060 1.00 1.00 H new ATOM 0 HE1 TRP B 715 36.148 13.428 11.406 1.00 1.00 H new ATOM 0 HE3 TRP B 715 35.285 9.359 8.039 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 38.129 11.349 11.593 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 37.300 8.164 8.839 1.00 1.00 H new ATOM 0 HH2 TRP B 715 38.723 9.153 10.611 1.00 1.00 H new ATOM 1192 N LYS B 716 31.697 14.161 6.932 1.00 1.00 N ATOM 1193 CA LYS B 716 31.630 15.511 6.355 1.00 1.00 C ATOM 1194 C LYS B 716 30.561 16.331 7.083 1.00 1.00 C ATOM 1195 O LYS B 716 30.737 17.527 7.371 1.00 1.00 O ATOM 1196 CB LYS B 716 31.262 15.406 4.866 1.00 1.00 C ATOM 1197 CG LYS B 716 32.463 15.743 3.962 1.00 1.00 C ATOM 1198 CD LYS B 716 32.495 17.236 3.607 1.00 1.00 C ATOM 1199 CE LYS B 716 32.914 18.062 4.823 1.00 1.00 C ATOM 1200 NZ LYS B 716 33.215 19.454 4.388 1.00 1.00 N ATOM 0 H LYS B 716 31.485 13.407 6.278 1.00 1.00 H new ATOM 0 HA LYS B 716 32.598 16.001 6.464 1.00 1.00 H new ATOM 0 HB2 LYS B 716 30.912 14.397 4.647 1.00 1.00 H new ATOM 0 HB3 LYS B 716 30.438 16.084 4.645 1.00 1.00 H new ATOM 0 HG2 LYS B 716 33.389 15.468 4.467 1.00 1.00 H new ATOM 0 HG3 LYS B 716 32.410 15.151 3.048 1.00 1.00 H new ATOM 0 HD2 LYS B 716 33.191 17.407 2.786 1.00 1.00 H new ATOM 0 HD3 LYS B 716 31.511 17.556 3.263 1.00 1.00 H new ATOM 0 HE2 LYS B 716 32.118 18.065 5.568 1.00 1.00 H new ATOM 0 HE3 LYS B 716 33.790 17.618 5.295 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 34.228 19.649 4.523 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 32.973 19.564 3.383 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 32.655 20.123 4.954 1.00 1.00 H new ATOM 1214 N LEU B 717 29.447 15.682 7.393 1.00 1.00 N ATOM 1215 CA LEU B 717 28.362 16.379 8.101 1.00 1.00 C ATOM 1216 C LEU B 717 28.819 16.841 9.492 1.00 1.00 C ATOM 1217 O LEU B 717 28.485 17.944 9.930 1.00 1.00 O ATOM 1218 CB LEU B 717 27.134 15.463 8.229 1.00 1.00 C ATOM 1219 CG LEU B 717 25.977 16.195 8.919 1.00 1.00 C ATOM 1220 CD1 LEU B 717 25.582 17.446 8.120 1.00 1.00 C ATOM 1221 CD2 LEU B 717 24.770 15.253 9.019 1.00 1.00 C ATOM 0 H LEU B 717 29.265 14.702 7.177 1.00 1.00 H new ATOM 0 HA LEU B 717 28.091 17.260 7.519 1.00 1.00 H new ATOM 0 HB2 LEU B 717 26.820 15.128 7.240 1.00 1.00 H new ATOM 0 HB3 LEU B 717 27.397 14.572 8.799 1.00 1.00 H new ATOM 0 HG LEU B 717 26.295 16.500 9.916 1.00 1.00 H new ATOM 0 HD11 LEU B 717 24.759 17.954 8.623 1.00 1.00 H new ATOM 0 HD12 LEU B 717 26.437 18.119 8.052 1.00 1.00 H new ATOM 0 HD13 LEU B 717 25.269 17.154 7.118 1.00 1.00 H new ATOM 0 HD21 LEU B 717 23.945 15.770 9.509 1.00 1.00 H new ATOM 0 HD22 LEU B 717 24.464 14.947 8.019 1.00 1.00 H new ATOM 0 HD23 LEU B 717 25.043 14.372 9.600 1.00 1.00 H new ATOM 1233 N LEU B 718 29.545 15.981 10.196 1.00 1.00 N ATOM 1234 CA LEU B 718 30.001 16.300 11.556 1.00 1.00 C ATOM 1235 C LEU B 718 30.934 17.529 11.575 1.00 1.00 C ATOM 1236 O LEU B 718 30.793 18.422 12.419 1.00 1.00 O ATOM 1237 CB LEU B 718 30.753 15.084 12.129 1.00 1.00 C ATOM 1238 CG LEU B 718 31.213 15.374 13.565 1.00 1.00 C ATOM 1239 CD1 LEU B 718 30.007 15.667 14.461 1.00 1.00 C ATOM 1240 CD2 LEU B 718 31.963 14.160 14.113 1.00 1.00 C ATOM 0 H LEU B 718 29.832 15.063 9.857 1.00 1.00 H new ATOM 0 HA LEU B 718 29.126 16.535 12.161 1.00 1.00 H new ATOM 0 HB2 LEU B 718 30.105 14.208 12.117 1.00 1.00 H new ATOM 0 HB3 LEU B 718 31.615 14.852 11.503 1.00 1.00 H new ATOM 0 HG LEU B 718 31.869 16.244 13.555 1.00 1.00 H new ATOM 0 HD11 LEU B 718 30.349 15.871 15.476 1.00 1.00 H new ATOM 0 HD12 LEU B 718 29.471 16.535 14.077 1.00 1.00 H new ATOM 0 HD13 LEU B 718 29.341 14.804 14.469 1.00 1.00 H new ATOM 0 HD21 LEU B 718 32.290 14.364 15.132 1.00 1.00 H new ATOM 0 HD22 LEU B 718 31.303 13.293 14.111 1.00 1.00 H new ATOM 0 HD23 LEU B 718 32.832 13.956 13.487 1.00 1.00 H new ATOM 1252 N ILE B 719 31.889 17.583 10.650 1.00 1.00 N ATOM 1253 CA ILE B 719 32.818 18.742 10.604 1.00 1.00 C ATOM 1254 C ILE B 719 32.075 20.012 10.176 1.00 1.00 C ATOM 1255 O ILE B 719 32.373 21.114 10.638 1.00 1.00 O ATOM 1256 CB ILE B 719 34.031 18.480 9.692 1.00 1.00 C ATOM 1257 CG1 ILE B 719 35.048 19.629 9.848 1.00 1.00 C ATOM 1258 CG2 ILE B 719 33.595 18.383 8.234 1.00 1.00 C ATOM 1259 CD1 ILE B 719 36.361 19.262 9.150 1.00 1.00 C ATOM 0 H ILE B 719 32.049 16.871 9.938 1.00 1.00 H new ATOM 0 HA ILE B 719 33.205 18.887 11.613 1.00 1.00 H new ATOM 0 HB ILE B 719 34.490 17.536 9.984 1.00 1.00 H new ATOM 0 HG12 ILE B 719 34.642 20.546 9.420 1.00 1.00 H new ATOM 0 HG13 ILE B 719 35.230 19.824 10.905 1.00 1.00 H new ATOM 0 HG21 ILE B 719 34.466 18.198 7.605 1.00 1.00 H new ATOM 0 HG22 ILE B 719 32.885 17.564 8.120 1.00 1.00 H new ATOM 0 HG23 ILE B 719 33.122 19.318 7.933 1.00 1.00 H new ATOM 0 HD11 ILE B 719 37.074 20.078 9.264 1.00 1.00 H new ATOM 0 HD12 ILE B 719 36.771 18.357 9.598 1.00 1.00 H new ATOM 0 HD13 ILE B 719 36.174 19.090 8.090 1.00 1.00 H new ATOM 1271 N THR B 720 31.118 19.856 9.277 1.00 1.00 N ATOM 1272 CA THR B 720 30.350 21.003 8.783 1.00 1.00 C ATOM 1273 C THR B 720 29.612 21.690 9.932 1.00 1.00 C ATOM 1274 O THR B 720 29.615 22.918 10.036 1.00 1.00 O ATOM 1275 CB THR B 720 29.335 20.542 7.738 1.00 1.00 C ATOM 1276 OG1 THR B 720 29.982 19.711 6.791 1.00 1.00 O ATOM 1277 CG2 THR B 720 28.746 21.762 7.015 1.00 1.00 C ATOM 0 H THR B 720 30.851 18.958 8.873 1.00 1.00 H new ATOM 0 HA THR B 720 31.045 21.711 8.332 1.00 1.00 H new ATOM 0 HB THR B 720 28.535 19.990 8.232 1.00 1.00 H new ATOM 0 HG1 THR B 720 29.906 18.775 7.071 1.00 1.00 H new ATOM 0 HG21 THR B 720 28.023 21.430 6.271 1.00 1.00 H new ATOM 0 HG22 THR B 720 28.251 22.410 7.738 1.00 1.00 H new ATOM 0 HG23 THR B 720 29.546 22.314 6.522 1.00 1.00 H new ATOM 1285 N ILE B 721 28.980 20.907 10.797 1.00 1.00 N ATOM 1286 CA ILE B 721 28.250 21.495 11.919 1.00 1.00 C ATOM 1287 C ILE B 721 29.209 22.246 12.837 1.00 1.00 C ATOM 1288 O ILE B 721 28.927 23.379 13.251 1.00 1.00 O ATOM 1289 CB ILE B 721 27.544 20.393 12.717 1.00 1.00 C ATOM 1290 CG1 ILE B 721 26.427 19.747 11.870 1.00 1.00 C ATOM 1291 CG2 ILE B 721 26.960 20.973 14.007 1.00 1.00 C ATOM 1292 CD1 ILE B 721 25.348 20.766 11.471 1.00 1.00 C ATOM 0 H ILE B 721 28.955 19.888 10.749 1.00 1.00 H new ATOM 0 HA ILE B 721 27.510 22.192 11.525 1.00 1.00 H new ATOM 0 HB ILE B 721 28.273 19.624 12.973 1.00 1.00 H new ATOM 0 HG12 ILE B 721 26.861 19.307 10.972 1.00 1.00 H new ATOM 0 HG13 ILE B 721 25.968 18.934 12.433 1.00 1.00 H new ATOM 0 HG21 ILE B 721 26.460 20.183 14.568 1.00 1.00 H new ATOM 0 HG22 ILE B 721 27.762 21.395 14.612 1.00 1.00 H new ATOM 0 HG23 ILE B 721 26.241 21.754 13.762 1.00 1.00 H new ATOM 0 HD11 ILE B 721 24.581 20.270 10.876 1.00 1.00 H new ATOM 0 HD12 ILE B 721 24.895 21.187 12.369 1.00 1.00 H new ATOM 0 HD13 ILE B 721 25.801 21.565 10.885 1.00 1.00 H new ATOM 1304 N HIS B 722 30.354 21.627 13.136 1.00 1.00 N ATOM 1305 CA HIS B 722 31.348 22.263 13.990 1.00 1.00 C ATOM 1306 C HIS B 722 31.957 23.477 13.295 1.00 1.00 C ATOM 1307 O HIS B 722 32.198 24.505 13.924 1.00 1.00 O ATOM 1308 CB HIS B 722 32.450 21.270 14.361 1.00 1.00 C ATOM 1309 CG HIS B 722 31.948 20.333 15.424 1.00 1.00 C ATOM 1310 ND1 HIS B 722 31.131 19.248 15.138 1.00 1.00 N ATOM 1311 CD2 HIS B 722 32.139 20.310 16.781 1.00 1.00 C ATOM 1312 CE1 HIS B 722 30.868 18.622 16.303 1.00 1.00 C ATOM 1313 NE2 HIS B 722 31.459 19.229 17.333 1.00 1.00 N ATOM 0 H HIS B 722 30.610 20.698 12.802 1.00 1.00 H new ATOM 0 HA HIS B 722 30.849 22.594 14.901 1.00 1.00 H new ATOM 0 HB2 HIS B 722 32.757 20.706 13.480 1.00 1.00 H new ATOM 0 HB3 HIS B 722 33.330 21.805 14.719 1.00 1.00 H new ATOM 0 HD1 HIS B 722 30.792 18.974 14.216 1.00 1.00 H new ATOM 0 HD2 HIS B 722 32.728 21.023 17.338 1.00 1.00 H new ATOM 0 HE1 HIS B 722 30.254 17.738 16.391 1.00 1.00 H new ATOM 1321 N ASP B 723 32.192 23.354 11.997 1.00 1.00 N ATOM 1322 CA ASP B 723 32.762 24.446 11.227 1.00 1.00 C ATOM 1323 C ASP B 723 31.835 25.659 11.249 1.00 1.00 C ATOM 1324 O ASP B 723 32.282 26.800 11.385 1.00 1.00 O ATOM 1325 CB ASP B 723 32.970 23.996 9.784 1.00 1.00 C ATOM 1326 CG ASP B 723 33.595 25.122 8.968 1.00 1.00 C ATOM 1327 OD1 ASP B 723 33.744 26.203 9.509 1.00 1.00 O ATOM 1328 OD2 ASP B 723 33.929 24.882 7.818 1.00 1.00 O ATOM 0 H ASP B 723 31.997 22.511 11.457 1.00 1.00 H new ATOM 0 HA ASP B 723 33.717 24.725 11.671 1.00 1.00 H new ATOM 0 HB2 ASP B 723 33.614 23.117 9.758 1.00 1.00 H new ATOM 0 HB3 ASP B 723 32.016 23.705 9.345 1.00 1.00 H new