USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=6 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 77:sc= 0.57 USER MOD Single : A 987 MET CE :methyl -155:sc= -2.53 (180deg=-4.76!) 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 75:sc= 1.01 USER MOD Single : B 701 MET CE :methyl 157:sc= -0.113 (180deg=-0.889) USER MOD Single : B 716 LYS NZ :NH3+ -176:sc= 1.75 (180deg=1.7) USER MOD Single : B 720 THR OG1 : rot 77:sc= 0.633 USER MOD Single : B 722 HIS : no HD1:sc= -2.47 K(o=-2.5,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 31.911 -18.319 -2.145 1.00 1.00 N ATOM 137 CA ILE A 966 31.982 -17.604 -0.879 1.00 1.00 C ATOM 138 C ILE A 966 33.374 -17.019 -0.644 1.00 1.00 C ATOM 139 O ILE A 966 33.499 -15.899 -0.152 1.00 1.00 O ATOM 140 CB ILE A 966 31.573 -18.525 0.280 1.00 1.00 C ATOM 141 CG1 ILE A 966 32.497 -19.747 0.346 1.00 1.00 C ATOM 142 CG2 ILE A 966 30.133 -18.994 0.068 1.00 1.00 C ATOM 143 CD1 ILE A 966 32.166 -20.568 1.595 1.00 1.00 C ATOM 0 HA ILE A 966 31.281 -16.771 -0.925 1.00 1.00 H new ATOM 0 HB ILE A 966 31.653 -17.971 1.215 1.00 1.00 H new ATOM 0 HG12 ILE A 966 32.374 -20.359 -0.548 1.00 1.00 H new ATOM 0 HG13 ILE A 966 33.539 -19.428 0.373 1.00 1.00 H new ATOM 0 HG21 ILE A 966 29.839 -19.648 0.889 1.00 1.00 H new ATOM 0 HG22 ILE A 966 29.470 -18.130 0.037 1.00 1.00 H new ATOM 0 HG23 ILE A 966 30.063 -19.539 -0.873 1.00 1.00 H new ATOM 0 HD11 ILE A 966 32.822 -21.437 1.643 1.00 1.00 H new ATOM 0 HD12 ILE A 966 32.312 -19.954 2.483 1.00 1.00 H new ATOM 0 HD13 ILE A 966 31.128 -20.899 1.549 1.00 1.00 H new ATOM 155 N TRP A 967 34.420 -17.761 -0.992 1.00 1.00 N ATOM 156 CA TRP A 967 35.776 -17.261 -0.796 1.00 1.00 C ATOM 157 C TRP A 967 35.976 -15.946 -1.543 1.00 1.00 C ATOM 158 O TRP A 967 36.636 -15.034 -1.044 1.00 1.00 O ATOM 159 CB TRP A 967 36.801 -18.290 -1.275 1.00 1.00 C ATOM 160 CG TRP A 967 36.842 -19.434 -0.314 1.00 1.00 C ATOM 161 CD1 TRP A 967 36.262 -20.639 -0.511 1.00 1.00 C ATOM 162 CD2 TRP A 967 37.486 -19.500 0.991 1.00 1.00 C ATOM 163 NE1 TRP A 967 36.508 -21.441 0.588 1.00 1.00 N ATOM 164 CE2 TRP A 967 37.259 -20.784 1.541 1.00 1.00 C ATOM 165 CE3 TRP A 967 38.239 -18.581 1.744 1.00 1.00 C ATOM 166 CZ2 TRP A 967 37.761 -21.143 2.794 1.00 1.00 C ATOM 167 CZ3 TRP A 967 38.745 -18.938 3.005 1.00 1.00 C ATOM 168 CH2 TRP A 967 38.506 -20.216 3.527 1.00 1.00 C ATOM 0 H TRP A 967 34.359 -18.692 -1.403 1.00 1.00 H new ATOM 0 HA TRP A 967 35.922 -17.086 0.270 1.00 1.00 H new ATOM 0 HB2 TRP A 967 36.537 -18.646 -2.271 1.00 1.00 H new ATOM 0 HB3 TRP A 967 37.786 -17.830 -1.352 1.00 1.00 H new ATOM 0 HD1 TRP A 967 35.698 -20.928 -1.385 1.00 1.00 H new ATOM 0 HE1 TRP A 967 36.175 -22.401 0.683 1.00 1.00 H new ATOM 0 HE3 TRP A 967 38.430 -17.594 1.350 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 37.575 -22.129 3.193 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 39.321 -18.224 3.575 1.00 1.00 H new ATOM 0 HH2 TRP A 967 38.898 -20.485 4.497 1.00 1.00 H new ATOM 179 N TRP A 968 35.393 -15.842 -2.734 1.00 1.00 N ATOM 180 CA TRP A 968 35.513 -14.619 -3.519 1.00 1.00 C ATOM 181 C TRP A 968 34.890 -13.442 -2.773 1.00 1.00 C ATOM 182 O TRP A 968 35.415 -12.329 -2.802 1.00 1.00 O ATOM 183 CB TRP A 968 34.843 -14.795 -4.882 1.00 1.00 C ATOM 184 CG TRP A 968 35.699 -15.669 -5.743 1.00 1.00 C ATOM 185 CD1 TRP A 968 35.617 -17.017 -5.811 1.00 1.00 C ATOM 186 CD2 TRP A 968 36.759 -15.277 -6.664 1.00 1.00 C ATOM 187 NE1 TRP A 968 36.561 -17.478 -6.711 1.00 1.00 N ATOM 188 CE2 TRP A 968 37.289 -16.444 -7.264 1.00 1.00 C ATOM 189 CE3 TRP A 968 37.307 -14.036 -7.032 1.00 1.00 C ATOM 190 CZ2 TRP A 968 38.325 -16.381 -8.196 1.00 1.00 C ATOM 191 CZ3 TRP A 968 38.350 -13.968 -7.970 1.00 1.00 C ATOM 192 CH2 TRP A 968 38.858 -15.139 -8.550 1.00 1.00 C ATOM 0 H TRP A 968 34.840 -16.579 -3.171 1.00 1.00 H new ATOM 0 HA TRP A 968 36.572 -14.411 -3.674 1.00 1.00 H new ATOM 0 HB2 TRP A 968 33.855 -15.240 -4.760 1.00 1.00 H new ATOM 0 HB3 TRP A 968 34.699 -13.825 -5.358 1.00 1.00 H new ATOM 0 HD1 TRP A 968 34.927 -17.633 -5.254 1.00 1.00 H new ATOM 0 HE1 TRP A 968 36.702 -18.462 -6.938 1.00 1.00 H new ATOM 0 HE3 TRP A 968 36.923 -13.128 -6.590 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 38.712 -17.286 -8.641 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 38.763 -13.009 -8.246 1.00 1.00 H new ATOM 0 HH2 TRP A 968 39.661 -15.081 -9.270 1.00 1.00 H new ATOM 203 N VAL A 969 33.773 -13.698 -2.095 1.00 1.00 N ATOM 204 CA VAL A 969 33.096 -12.645 -1.337 1.00 1.00 C ATOM 205 C VAL A 969 33.995 -12.121 -0.220 1.00 1.00 C ATOM 206 O VAL A 969 34.106 -10.911 -0.021 1.00 1.00 O ATOM 207 CB VAL A 969 31.786 -13.166 -0.746 1.00 1.00 C ATOM 208 CG1 VAL A 969 31.257 -12.164 0.281 1.00 1.00 C ATOM 209 CG2 VAL A 969 30.753 -13.324 -1.866 1.00 1.00 C ATOM 0 H VAL A 969 33.322 -14.612 -2.054 1.00 1.00 H new ATOM 0 HA VAL A 969 32.874 -11.827 -2.022 1.00 1.00 H new ATOM 0 HB VAL A 969 31.962 -14.128 -0.265 1.00 1.00 H new ATOM 0 HG11 VAL A 969 30.323 -12.535 0.703 1.00 1.00 H new ATOM 0 HG12 VAL A 969 31.990 -12.038 1.078 1.00 1.00 H new ATOM 0 HG13 VAL A 969 31.080 -11.204 -0.205 1.00 1.00 H new ATOM 0 HG21 VAL A 969 29.817 -13.695 -1.448 1.00 1.00 H new ATOM 0 HG22 VAL A 969 30.580 -12.358 -2.341 1.00 1.00 H new ATOM 0 HG23 VAL A 969 31.125 -14.031 -2.607 1.00 1.00 H new ATOM 219 N LEU A 970 34.643 -13.029 0.504 1.00 1.00 N ATOM 220 CA LEU A 970 35.534 -12.622 1.588 1.00 1.00 C ATOM 221 C LEU A 970 36.688 -11.795 1.036 1.00 1.00 C ATOM 222 O LEU A 970 37.088 -10.796 1.633 1.00 1.00 O ATOM 223 CB LEU A 970 36.088 -13.842 2.338 1.00 1.00 C ATOM 224 CG LEU A 970 35.094 -14.316 3.410 1.00 1.00 C ATOM 225 CD1 LEU A 970 33.813 -14.837 2.756 1.00 1.00 C ATOM 226 CD2 LEU A 970 35.734 -15.440 4.226 1.00 1.00 C ATOM 0 H LEU A 970 34.571 -14.037 0.364 1.00 1.00 H new ATOM 0 HA LEU A 970 34.956 -12.019 2.288 1.00 1.00 H new ATOM 0 HB2 LEU A 970 36.284 -14.650 1.634 1.00 1.00 H new ATOM 0 HB3 LEU A 970 37.040 -13.588 2.804 1.00 1.00 H new ATOM 0 HG LEU A 970 34.844 -13.476 4.058 1.00 1.00 H new ATOM 0 HD11 LEU A 970 33.119 -15.169 3.528 1.00 1.00 H new ATOM 0 HD12 LEU A 970 33.352 -14.040 2.173 1.00 1.00 H new ATOM 0 HD13 LEU A 970 34.054 -15.674 2.100 1.00 1.00 H new ATOM 0 HD21 LEU A 970 35.033 -15.781 4.988 1.00 1.00 H new ATOM 0 HD22 LEU A 970 35.985 -16.271 3.567 1.00 1.00 H new ATOM 0 HD23 LEU A 970 36.641 -15.071 4.705 1.00 1.00 H new ATOM 238 N VAL A 971 37.215 -12.208 -0.110 1.00 1.00 N ATOM 239 CA VAL A 971 38.318 -11.484 -0.730 1.00 1.00 C ATOM 240 C VAL A 971 37.876 -10.064 -1.074 1.00 1.00 C ATOM 241 O VAL A 971 38.591 -9.098 -0.807 1.00 1.00 O ATOM 242 CB VAL A 971 38.771 -12.203 -2.001 1.00 1.00 C ATOM 243 CG1 VAL A 971 39.778 -11.330 -2.753 1.00 1.00 C ATOM 244 CG2 VAL A 971 39.432 -13.531 -1.625 1.00 1.00 C ATOM 0 H VAL A 971 36.901 -13.031 -0.624 1.00 1.00 H new ATOM 0 HA VAL A 971 39.151 -11.443 -0.028 1.00 1.00 H new ATOM 0 HB VAL A 971 37.907 -12.391 -2.638 1.00 1.00 H new ATOM 0 HG11 VAL A 971 40.100 -11.844 -3.659 1.00 1.00 H new ATOM 0 HG12 VAL A 971 39.310 -10.383 -3.020 1.00 1.00 H new ATOM 0 HG13 VAL A 971 40.642 -11.141 -2.116 1.00 1.00 H new ATOM 0 HG21 VAL A 971 39.756 -14.045 -2.530 1.00 1.00 H new ATOM 0 HG22 VAL A 971 40.295 -13.340 -0.988 1.00 1.00 H new ATOM 0 HG23 VAL A 971 38.716 -14.155 -1.089 1.00 1.00 H new ATOM 254 N GLY A 972 36.687 -9.945 -1.656 1.00 1.00 N ATOM 255 CA GLY A 972 36.153 -8.635 -2.017 1.00 1.00 C ATOM 256 C GLY A 972 35.923 -7.791 -0.767 1.00 1.00 C ATOM 257 O GLY A 972 36.127 -6.578 -0.776 1.00 1.00 O ATOM 0 H GLY A 972 36.079 -10.731 -1.886 1.00 1.00 H new ATOM 0 HA2 GLY A 972 36.846 -8.124 -2.686 1.00 1.00 H new ATOM 0 HA3 GLY A 972 35.216 -8.755 -2.560 1.00 1.00 H new ATOM 261 N VAL A 973 35.501 -8.448 0.308 1.00 1.00 N ATOM 262 CA VAL A 973 35.250 -7.758 1.569 1.00 1.00 C ATOM 263 C VAL A 973 36.539 -7.139 2.098 1.00 1.00 C ATOM 264 O VAL A 973 36.552 -5.992 2.543 1.00 1.00 O ATOM 265 CB VAL A 973 34.690 -8.738 2.599 1.00 1.00 C ATOM 266 CG1 VAL A 973 34.620 -8.056 3.967 1.00 1.00 C ATOM 267 CG2 VAL A 973 33.286 -9.174 2.172 1.00 1.00 C ATOM 0 H VAL A 973 35.326 -9.453 0.332 1.00 1.00 H new ATOM 0 HA VAL A 973 34.522 -6.966 1.394 1.00 1.00 H new ATOM 0 HB VAL A 973 35.339 -9.611 2.663 1.00 1.00 H new ATOM 0 HG11 VAL A 973 34.221 -8.755 4.702 1.00 1.00 H new ATOM 0 HG12 VAL A 973 35.620 -7.743 4.269 1.00 1.00 H new ATOM 0 HG13 VAL A 973 33.970 -7.183 3.906 1.00 1.00 H new ATOM 0 HG21 VAL A 973 32.884 -9.873 2.905 1.00 1.00 H new ATOM 0 HG22 VAL A 973 32.637 -8.300 2.109 1.00 1.00 H new ATOM 0 HG23 VAL A 973 33.336 -9.659 1.197 1.00 1.00 H new ATOM 277 N LEU A 974 37.623 -7.906 2.044 1.00 1.00 N ATOM 278 CA LEU A 974 38.912 -7.417 2.518 1.00 1.00 C ATOM 279 C LEU A 974 39.348 -6.216 1.687 1.00 1.00 C ATOM 280 O LEU A 974 39.851 -5.226 2.221 1.00 1.00 O ATOM 281 CB LEU A 974 39.964 -8.523 2.413 1.00 1.00 C ATOM 282 CG LEU A 974 39.660 -9.624 3.435 1.00 1.00 C ATOM 283 CD1 LEU A 974 40.579 -10.819 3.180 1.00 1.00 C ATOM 284 CD2 LEU A 974 39.885 -9.106 4.862 1.00 1.00 C ATOM 0 H LEU A 974 37.635 -8.859 1.681 1.00 1.00 H new ATOM 0 HA LEU A 974 38.813 -7.117 3.561 1.00 1.00 H new ATOM 0 HB2 LEU A 974 39.968 -8.940 1.406 1.00 1.00 H new ATOM 0 HB3 LEU A 974 40.957 -8.112 2.592 1.00 1.00 H new ATOM 0 HG LEU A 974 38.618 -9.926 3.329 1.00 1.00 H new ATOM 0 HD11 LEU A 974 40.365 -11.604 3.906 1.00 1.00 H new ATOM 0 HD12 LEU A 974 40.410 -11.200 2.173 1.00 1.00 H new ATOM 0 HD13 LEU A 974 41.618 -10.506 3.280 1.00 1.00 H new ATOM 0 HD21 LEU A 974 39.665 -9.900 5.576 1.00 1.00 H new ATOM 0 HD22 LEU A 974 40.923 -8.793 4.976 1.00 1.00 H new ATOM 0 HD23 LEU A 974 39.227 -8.257 5.049 1.00 1.00 H new ATOM 296 N GLY A 975 39.142 -6.303 0.377 1.00 1.00 N ATOM 297 CA GLY A 975 39.507 -5.209 -0.513 1.00 1.00 C ATOM 298 C GLY A 975 38.687 -3.964 -0.179 1.00 1.00 C ATOM 299 O GLY A 975 39.191 -2.842 -0.228 1.00 1.00 O ATOM 0 H GLY A 975 38.728 -7.111 -0.088 1.00 1.00 H new ATOM 0 HA2 GLY A 975 40.570 -4.990 -0.416 1.00 1.00 H new ATOM 0 HA3 GLY A 975 39.335 -5.500 -1.549 1.00 1.00 H new ATOM 303 N GLY A 976 37.421 -4.175 0.173 1.00 1.00 N ATOM 304 CA GLY A 976 36.536 -3.068 0.526 1.00 1.00 C ATOM 305 C GLY A 976 37.050 -2.347 1.768 1.00 1.00 C ATOM 306 O GLY A 976 36.979 -1.121 1.863 1.00 1.00 O ATOM 0 H GLY A 976 36.987 -5.097 0.221 1.00 1.00 H new ATOM 0 HA2 GLY A 976 36.470 -2.368 -0.307 1.00 1.00 H new ATOM 0 HA3 GLY A 976 35.529 -3.444 0.707 1.00 1.00 H new ATOM 310 N LEU A 977 37.584 -3.117 2.710 1.00 1.00 N ATOM 311 CA LEU A 977 38.127 -2.544 3.938 1.00 1.00 C ATOM 312 C LEU A 977 39.295 -1.628 3.593 1.00 1.00 C ATOM 313 O LEU A 977 39.437 -0.539 4.150 1.00 1.00 O ATOM 314 CB LEU A 977 38.599 -3.662 4.876 1.00 1.00 C ATOM 315 CG LEU A 977 39.195 -3.070 6.161 1.00 1.00 C ATOM 316 CD1 LEU A 977 38.163 -2.185 6.864 1.00 1.00 C ATOM 317 CD2 LEU A 977 39.598 -4.211 7.097 1.00 1.00 C ATOM 0 H LEU A 977 37.653 -4.133 2.649 1.00 1.00 H new ATOM 0 HA LEU A 977 37.351 -1.969 4.442 1.00 1.00 H new ATOM 0 HB2 LEU A 977 37.762 -4.315 5.124 1.00 1.00 H new ATOM 0 HB3 LEU A 977 39.345 -4.277 4.372 1.00 1.00 H new ATOM 0 HG LEU A 977 40.066 -2.467 5.906 1.00 1.00 H new ATOM 0 HD11 LEU A 977 38.598 -1.771 7.774 1.00 1.00 H new ATOM 0 HD12 LEU A 977 37.868 -1.372 6.200 1.00 1.00 H new ATOM 0 HD13 LEU A 977 37.287 -2.781 7.119 1.00 1.00 H new ATOM 0 HD21 LEU A 977 40.022 -3.798 8.012 1.00 1.00 H new ATOM 0 HD22 LEU A 977 38.720 -4.808 7.342 1.00 1.00 H new ATOM 0 HD23 LEU A 977 40.340 -4.840 6.605 1.00 1.00 H new ATOM 329 N LEU A 978 40.122 -2.086 2.663 1.00 1.00 N ATOM 330 CA LEU A 978 41.280 -1.318 2.223 1.00 1.00 C ATOM 331 C LEU A 978 40.836 -0.006 1.585 1.00 1.00 C ATOM 332 O LEU A 978 41.461 1.034 1.789 1.00 1.00 O ATOM 333 CB LEU A 978 42.092 -2.133 1.213 1.00 1.00 C ATOM 334 CG LEU A 978 42.757 -3.319 1.921 1.00 1.00 C ATOM 335 CD1 LEU A 978 43.379 -4.249 0.879 1.00 1.00 C ATOM 336 CD2 LEU A 978 43.850 -2.824 2.880 1.00 1.00 C ATOM 0 H LEU A 978 40.013 -2.987 2.198 1.00 1.00 H new ATOM 0 HA LEU A 978 41.901 -1.096 3.091 1.00 1.00 H new ATOM 0 HB2 LEU A 978 41.442 -2.492 0.414 1.00 1.00 H new ATOM 0 HB3 LEU A 978 42.850 -1.503 0.748 1.00 1.00 H new ATOM 0 HG LEU A 978 42.002 -3.857 2.494 1.00 1.00 H new ATOM 0 HD11 LEU A 978 43.852 -5.093 1.381 1.00 1.00 H new ATOM 0 HD12 LEU A 978 42.602 -4.615 0.208 1.00 1.00 H new ATOM 0 HD13 LEU A 978 44.127 -3.703 0.304 1.00 1.00 H new ATOM 0 HD21 LEU A 978 44.313 -3.677 3.375 1.00 1.00 H new ATOM 0 HD22 LEU A 978 44.606 -2.276 2.318 1.00 1.00 H new ATOM 0 HD23 LEU A 978 43.407 -2.167 3.628 1.00 1.00 H new ATOM 348 N LEU A 979 39.760 -0.064 0.804 1.00 1.00 N ATOM 349 CA LEU A 979 39.252 1.126 0.128 1.00 1.00 C ATOM 350 C LEU A 979 38.843 2.186 1.144 1.00 1.00 C ATOM 351 O LEU A 979 39.159 3.365 0.985 1.00 1.00 O ATOM 352 CB LEU A 979 38.015 0.749 -0.690 1.00 1.00 C ATOM 353 CG LEU A 979 38.407 -0.122 -1.894 1.00 1.00 C ATOM 354 CD1 LEU A 979 37.151 -0.746 -2.513 1.00 1.00 C ATOM 355 CD2 LEU A 979 39.111 0.727 -2.962 1.00 1.00 C ATOM 0 H LEU A 979 39.227 -0.915 0.625 1.00 1.00 H new ATOM 0 HA LEU A 979 40.039 1.521 -0.514 1.00 1.00 H new ATOM 0 HB2 LEU A 979 37.306 0.211 -0.060 1.00 1.00 H new ATOM 0 HB3 LEU A 979 37.512 1.652 -1.036 1.00 1.00 H new ATOM 0 HG LEU A 979 39.083 -0.904 -1.547 1.00 1.00 H new ATOM 0 HD11 LEU A 979 37.434 -1.363 -3.366 1.00 1.00 H new ATOM 0 HD12 LEU A 979 36.648 -1.364 -1.770 1.00 1.00 H new ATOM 0 HD13 LEU A 979 36.477 0.044 -2.844 1.00 1.00 H new ATOM 0 HD21 LEU A 979 39.382 0.096 -3.808 1.00 1.00 H new ATOM 0 HD22 LEU A 979 38.440 1.517 -3.299 1.00 1.00 H new ATOM 0 HD23 LEU A 979 40.011 1.172 -2.538 1.00 1.00 H new ATOM 367 N LEU A 980 38.150 1.757 2.193 1.00 1.00 N ATOM 368 CA LEU A 980 37.719 2.681 3.233 1.00 1.00 C ATOM 369 C LEU A 980 38.933 3.278 3.936 1.00 1.00 C ATOM 370 O LEU A 980 38.978 4.473 4.229 1.00 1.00 O ATOM 371 CB LEU A 980 36.828 1.949 4.246 1.00 1.00 C ATOM 372 CG LEU A 980 36.363 2.912 5.347 1.00 1.00 C ATOM 373 CD1 LEU A 980 35.597 4.084 4.727 1.00 1.00 C ATOM 374 CD2 LEU A 980 35.445 2.165 6.317 1.00 1.00 C ATOM 0 H LEU A 980 37.877 0.786 2.344 1.00 1.00 H new ATOM 0 HA LEU A 980 37.145 3.488 2.777 1.00 1.00 H new ATOM 0 HB2 LEU A 980 35.963 1.524 3.738 1.00 1.00 H new ATOM 0 HB3 LEU A 980 37.378 1.119 4.689 1.00 1.00 H new ATOM 0 HG LEU A 980 37.233 3.294 5.880 1.00 1.00 H new ATOM 0 HD11 LEU A 980 35.270 4.763 5.515 1.00 1.00 H new ATOM 0 HD12 LEU A 980 36.247 4.618 4.034 1.00 1.00 H new ATOM 0 HD13 LEU A 980 34.727 3.707 4.190 1.00 1.00 H new ATOM 0 HD21 LEU A 980 35.113 2.846 7.101 1.00 1.00 H new ATOM 0 HD22 LEU A 980 34.579 1.783 5.777 1.00 1.00 H new ATOM 0 HD23 LEU A 980 35.989 1.334 6.765 1.00 1.00 H new ATOM 386 N THR A 981 39.914 2.423 4.211 1.00 1.00 N ATOM 387 CA THR A 981 41.131 2.848 4.892 1.00 1.00 C ATOM 388 C THR A 981 41.902 3.877 4.071 1.00 1.00 C ATOM 389 O THR A 981 42.373 4.880 4.609 1.00 1.00 O ATOM 390 CB THR A 981 42.026 1.633 5.150 1.00 1.00 C ATOM 391 OG1 THR A 981 41.350 0.723 6.006 1.00 1.00 O ATOM 392 CG2 THR A 981 43.328 2.089 5.811 1.00 1.00 C ATOM 0 H THR A 981 39.889 1.432 3.972 1.00 1.00 H new ATOM 0 HA THR A 981 40.843 3.311 5.836 1.00 1.00 H new ATOM 0 HB THR A 981 42.254 1.141 4.205 1.00 1.00 H new ATOM 0 HG1 THR A 981 40.673 0.234 5.494 1.00 1.00 H new ATOM 0 HG21 THR A 981 43.965 1.224 5.995 1.00 1.00 H new ATOM 0 HG22 THR A 981 43.845 2.787 5.153 1.00 1.00 H new ATOM 0 HG23 THR A 981 43.103 2.581 6.757 1.00 1.00 H new ATOM 400 N ILE A 982 42.048 3.621 2.775 1.00 1.00 N ATOM 401 CA ILE A 982 42.787 4.538 1.914 1.00 1.00 C ATOM 402 C ILE A 982 42.108 5.899 1.843 1.00 1.00 C ATOM 403 O ILE A 982 42.770 6.933 1.938 1.00 1.00 O ATOM 404 CB ILE A 982 42.910 3.954 0.506 1.00 1.00 C ATOM 405 CG1 ILE A 982 43.823 2.728 0.543 1.00 1.00 C ATOM 406 CG2 ILE A 982 43.504 5.005 -0.434 1.00 1.00 C ATOM 407 CD1 ILE A 982 43.721 1.982 -0.787 1.00 1.00 C ATOM 0 H ILE A 982 41.671 2.799 2.303 1.00 1.00 H new ATOM 0 HA ILE A 982 43.780 4.671 2.343 1.00 1.00 H new ATOM 0 HB ILE A 982 41.923 3.663 0.146 1.00 1.00 H new ATOM 0 HG12 ILE A 982 44.854 3.033 0.724 1.00 1.00 H new ATOM 0 HG13 ILE A 982 43.536 2.071 1.364 1.00 1.00 H new ATOM 0 HG21 ILE A 982 43.591 4.588 -1.437 1.00 1.00 H new ATOM 0 HG22 ILE A 982 42.854 5.879 -0.460 1.00 1.00 H new ATOM 0 HG23 ILE A 982 44.491 5.298 -0.076 1.00 1.00 H new ATOM 0 HD11 ILE A 982 44.371 1.107 -0.764 1.00 1.00 H new ATOM 0 HD12 ILE A 982 42.691 1.665 -0.948 1.00 1.00 H new ATOM 0 HD13 ILE A 982 44.029 2.641 -1.599 1.00 1.00 H new ATOM 419 N LEU A 983 40.791 5.903 1.687 1.00 1.00 N ATOM 420 CA LEU A 983 40.059 7.160 1.616 1.00 1.00 C ATOM 421 C LEU A 983 40.196 7.919 2.934 1.00 1.00 C ATOM 422 O LEU A 983 40.400 9.134 2.951 1.00 1.00 O ATOM 423 CB LEU A 983 38.582 6.893 1.326 1.00 1.00 C ATOM 424 CG LEU A 983 38.426 6.360 -0.104 1.00 1.00 C ATOM 425 CD1 LEU A 983 36.990 5.875 -0.317 1.00 1.00 C ATOM 426 CD2 LEU A 983 38.747 7.464 -1.124 1.00 1.00 C ATOM 0 H LEU A 983 40.215 5.065 1.608 1.00 1.00 H new ATOM 0 HA LEU A 983 40.476 7.764 0.810 1.00 1.00 H new ATOM 0 HB2 LEU A 983 38.186 6.170 2.039 1.00 1.00 H new ATOM 0 HB3 LEU A 983 38.006 7.810 1.448 1.00 1.00 H new ATOM 0 HG LEU A 983 39.120 5.532 -0.247 1.00 1.00 H new ATOM 0 HD11 LEU A 983 36.881 5.497 -1.333 1.00 1.00 H new ATOM 0 HD12 LEU A 983 36.766 5.079 0.393 1.00 1.00 H new ATOM 0 HD13 LEU A 983 36.299 6.704 -0.162 1.00 1.00 H new ATOM 0 HD21 LEU A 983 38.632 7.071 -2.134 1.00 1.00 H new ATOM 0 HD22 LEU A 983 38.064 8.301 -0.981 1.00 1.00 H new ATOM 0 HD23 LEU A 983 39.773 7.804 -0.982 1.00 1.00 H new ATOM 438 N VAL A 984 40.085 7.183 4.038 1.00 1.00 N ATOM 439 CA VAL A 984 40.199 7.781 5.364 1.00 1.00 C ATOM 440 C VAL A 984 41.600 8.348 5.581 1.00 1.00 C ATOM 441 O VAL A 984 41.768 9.445 6.118 1.00 1.00 O ATOM 442 CB VAL A 984 39.894 6.732 6.436 1.00 1.00 C ATOM 443 CG1 VAL A 984 40.186 7.314 7.820 1.00 1.00 C ATOM 444 CG2 VAL A 984 38.420 6.336 6.354 1.00 1.00 C ATOM 0 H VAL A 984 39.917 6.177 4.040 1.00 1.00 H new ATOM 0 HA VAL A 984 39.479 8.596 5.439 1.00 1.00 H new ATOM 0 HB VAL A 984 40.519 5.854 6.272 1.00 1.00 H new ATOM 0 HG11 VAL A 984 39.968 6.566 8.583 1.00 1.00 H new ATOM 0 HG12 VAL A 984 41.236 7.599 7.881 1.00 1.00 H new ATOM 0 HG13 VAL A 984 39.562 8.192 7.985 1.00 1.00 H new ATOM 0 HG21 VAL A 984 38.201 5.589 7.117 1.00 1.00 H new ATOM 0 HG22 VAL A 984 37.797 7.215 6.518 1.00 1.00 H new ATOM 0 HG23 VAL A 984 38.209 5.921 5.368 1.00 1.00 H new ATOM 454 N LEU A 985 42.605 7.579 5.183 1.00 1.00 N ATOM 455 CA LEU A 985 43.993 7.989 5.356 1.00 1.00 C ATOM 456 C LEU A 985 44.291 9.278 4.594 1.00 1.00 C ATOM 457 O LEU A 985 44.975 10.164 5.104 1.00 1.00 O ATOM 458 CB LEU A 985 44.922 6.868 4.863 1.00 1.00 C ATOM 459 CG LEU A 985 46.393 7.276 5.017 1.00 1.00 C ATOM 460 CD1 LEU A 985 46.696 7.615 6.479 1.00 1.00 C ATOM 461 CD2 LEU A 985 47.283 6.115 4.573 1.00 1.00 C ATOM 0 H LEU A 985 42.486 6.669 4.739 1.00 1.00 H new ATOM 0 HA LEU A 985 44.165 8.177 6.416 1.00 1.00 H new ATOM 0 HB2 LEU A 985 44.731 5.956 5.428 1.00 1.00 H new ATOM 0 HB3 LEU A 985 44.709 6.645 3.818 1.00 1.00 H new ATOM 0 HG LEU A 985 46.588 8.154 4.401 1.00 1.00 H new ATOM 0 HD11 LEU A 985 47.743 7.903 6.576 1.00 1.00 H new ATOM 0 HD12 LEU A 985 46.061 8.441 6.800 1.00 1.00 H new ATOM 0 HD13 LEU A 985 46.500 6.743 7.103 1.00 1.00 H new ATOM 0 HD21 LEU A 985 48.330 6.398 4.680 1.00 1.00 H new ATOM 0 HD22 LEU A 985 47.078 5.242 5.192 1.00 1.00 H new ATOM 0 HD23 LEU A 985 47.076 5.876 3.530 1.00 1.00 H new ATOM 473 N ALA A 986 43.793 9.377 3.367 1.00 1.00 N ATOM 474 CA ALA A 986 44.051 10.569 2.564 1.00 1.00 C ATOM 475 C ALA A 986 43.459 11.809 3.227 1.00 1.00 C ATOM 476 O ALA A 986 44.106 12.861 3.283 1.00 1.00 O ATOM 477 CB ALA A 986 43.441 10.401 1.169 1.00 1.00 C ATOM 0 H ALA A 986 43.221 8.665 2.913 1.00 1.00 H new ATOM 0 HA ALA A 986 45.130 10.696 2.481 1.00 1.00 H new ATOM 0 HB1 ALA A 986 43.638 11.294 0.576 1.00 1.00 H new ATOM 0 HB2 ALA A 986 43.886 9.535 0.679 1.00 1.00 H new ATOM 0 HB3 ALA A 986 42.365 10.254 1.258 1.00 1.00 H new ATOM 483 N MET A 987 42.236 11.686 3.738 1.00 1.00 N ATOM 484 CA MET A 987 41.591 12.815 4.401 1.00 1.00 C ATOM 485 C MET A 987 42.354 13.204 5.662 1.00 1.00 C ATOM 486 O MET A 987 42.556 14.388 5.951 1.00 1.00 O ATOM 487 CB MET A 987 40.146 12.459 4.772 1.00 1.00 C ATOM 488 CG MET A 987 39.337 12.174 3.499 1.00 1.00 C ATOM 489 SD MET A 987 39.207 13.671 2.484 1.00 1.00 S ATOM 490 CE MET A 987 37.990 14.550 3.495 1.00 1.00 C ATOM 0 H MET A 987 41.680 10.831 3.707 1.00 1.00 H new ATOM 0 HA MET A 987 41.591 13.658 3.710 1.00 1.00 H new ATOM 0 HB2 MET A 987 40.133 11.586 5.425 1.00 1.00 H new ATOM 0 HB3 MET A 987 39.691 13.279 5.327 1.00 1.00 H new ATOM 0 HG2 MET A 987 39.816 11.379 2.927 1.00 1.00 H new ATOM 0 HG3 MET A 987 38.341 11.820 3.765 1.00 1.00 H new ATOM 0 HE1 MET A 987 37.443 15.258 2.872 1.00 1.00 H new ATOM 0 HE2 MET A 987 37.292 13.834 3.929 1.00 1.00 H new ATOM 0 HE3 MET A 987 38.501 15.088 4.293 1.00 1.00 H new ATOM 500 N TRP A 988 42.769 12.189 6.410 1.00 1.00 N ATOM 501 CA TRP A 988 43.504 12.404 7.653 1.00 1.00 C ATOM 502 C TRP A 988 44.847 13.084 7.387 1.00 1.00 C ATOM 503 O TRP A 988 45.263 13.972 8.132 1.00 1.00 O ATOM 504 CB TRP A 988 43.732 11.060 8.356 1.00 1.00 C ATOM 505 CG TRP A 988 44.705 11.223 9.481 1.00 1.00 C ATOM 506 CD1 TRP A 988 44.851 12.338 10.237 1.00 1.00 C ATOM 507 CD2 TRP A 988 45.678 10.260 9.985 1.00 1.00 C ATOM 508 NE1 TRP A 988 45.844 12.118 11.176 1.00 1.00 N ATOM 509 CE2 TRP A 988 46.385 10.853 11.057 1.00 1.00 C ATOM 510 CE3 TRP A 988 46.008 8.940 9.619 1.00 1.00 C ATOM 511 CZ2 TRP A 988 47.385 10.164 11.742 1.00 1.00 C ATOM 512 CZ3 TRP A 988 47.016 8.244 10.307 1.00 1.00 C ATOM 513 CH2 TRP A 988 47.703 8.856 11.366 1.00 1.00 C ATOM 0 H TRP A 988 42.610 11.208 6.179 1.00 1.00 H new ATOM 0 HA TRP A 988 42.912 13.058 8.294 1.00 1.00 H new ATOM 0 HB2 TRP A 988 42.786 10.676 8.737 1.00 1.00 H new ATOM 0 HB3 TRP A 988 44.110 10.328 7.642 1.00 1.00 H new ATOM 0 HD1 TRP A 988 44.284 13.251 10.125 1.00 1.00 H new ATOM 0 HE1 TRP A 988 46.139 12.805 11.870 1.00 1.00 H new ATOM 0 HE3 TRP A 988 45.483 8.461 8.806 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 47.910 10.638 12.558 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 47.263 7.233 10.019 1.00 1.00 H new ATOM 0 HH2 TRP A 988 48.478 8.316 11.891 1.00 1.00 H new ATOM 524 N LYS A 989 45.522 12.653 6.324 1.00 1.00 N ATOM 525 CA LYS A 989 46.824 13.209 5.969 1.00 1.00 C ATOM 526 C LYS A 989 46.651 14.612 5.386 1.00 1.00 C ATOM 527 O LYS A 989 47.620 15.350 5.225 1.00 1.00 O ATOM 528 CB LYS A 989 47.514 12.309 4.926 1.00 1.00 C ATOM 529 CG LYS A 989 48.747 11.582 5.520 1.00 1.00 C ATOM 530 CD LYS A 989 50.035 12.425 5.374 1.00 1.00 C ATOM 531 CE LYS A 989 50.104 13.499 6.465 1.00 1.00 C ATOM 532 NZ LYS A 989 51.478 14.075 6.504 1.00 1.00 N ATOM 0 H LYS A 989 45.189 11.922 5.695 1.00 1.00 H new ATOM 0 HA LYS A 989 47.439 13.261 6.868 1.00 1.00 H new ATOM 0 HB2 LYS A 989 46.802 11.572 4.554 1.00 1.00 H new ATOM 0 HB3 LYS A 989 47.824 12.913 4.073 1.00 1.00 H new ATOM 0 HG2 LYS A 989 48.570 11.368 6.574 1.00 1.00 H new ATOM 0 HG3 LYS A 989 48.881 10.624 5.018 1.00 1.00 H new ATOM 0 HD2 LYS A 989 50.909 11.777 5.438 1.00 1.00 H new ATOM 0 HD3 LYS A 989 50.059 12.896 4.391 1.00 1.00 H new ATOM 0 HE2 LYS A 989 49.374 14.284 6.266 1.00 1.00 H new ATOM 0 HE3 LYS A 989 49.851 13.067 7.433 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 51.528 14.804 7.244 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 52.164 13.322 6.713 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 51.702 14.501 5.582 1.00 1.00 H new ATOM 546 N VAL A 990 45.412 14.971 5.062 1.00 1.00 N ATOM 547 CA VAL A 990 45.136 16.285 4.495 1.00 1.00 C ATOM 548 C VAL A 990 44.862 17.279 5.613 1.00 1.00 C ATOM 549 O VAL A 990 44.945 18.493 5.419 1.00 1.00 O ATOM 550 CB VAL A 990 43.923 16.217 3.560 1.00 1.00 C ATOM 551 CG1 VAL A 990 43.421 17.630 3.260 1.00 1.00 C ATOM 552 CG2 VAL A 990 44.332 15.538 2.254 1.00 1.00 C ATOM 0 H VAL A 990 44.592 14.377 5.181 1.00 1.00 H new ATOM 0 HA VAL A 990 46.005 16.610 3.923 1.00 1.00 H new ATOM 0 HB VAL A 990 43.128 15.647 4.040 1.00 1.00 H new ATOM 0 HG11 VAL A 990 42.559 17.576 2.595 1.00 1.00 H new ATOM 0 HG12 VAL A 990 43.132 18.119 4.190 1.00 1.00 H new ATOM 0 HG13 VAL A 990 44.214 18.204 2.780 1.00 1.00 H new ATOM 0 HG21 VAL A 990 43.472 15.487 1.586 1.00 1.00 H new ATOM 0 HG22 VAL A 990 45.128 16.112 1.779 1.00 1.00 H new ATOM 0 HG23 VAL A 990 44.688 14.530 2.464 1.00 1.00 H new ATOM 562 N GLY A 991 44.531 16.747 6.784 1.00 1.00 N ATOM 563 CA GLY A 991 44.237 17.581 7.937 1.00 1.00 C ATOM 564 C GLY A 991 42.802 18.074 7.878 1.00 1.00 C ATOM 565 O GLY A 991 42.404 18.963 8.629 1.00 1.00 O ATOM 0 H GLY A 991 44.460 15.744 6.957 1.00 1.00 H new ATOM 0 HA2 GLY A 991 44.397 17.015 8.854 1.00 1.00 H new ATOM 0 HA3 GLY A 991 44.920 18.430 7.964 1.00 1.00 H new ATOM 569 N PHE A 992 42.031 17.481 6.977 1.00 1.00 N ATOM 570 CA PHE A 992 40.634 17.854 6.821 1.00 1.00 C ATOM 571 C PHE A 992 39.919 17.537 8.137 1.00 1.00 C ATOM 572 O PHE A 992 39.108 18.314 8.639 1.00 1.00 O ATOM 573 CB PHE A 992 40.023 17.041 5.669 1.00 1.00 C ATOM 574 CG PHE A 992 38.881 17.784 4.982 1.00 1.00 C ATOM 575 CD1 PHE A 992 38.066 18.696 5.671 1.00 1.00 C ATOM 576 CD2 PHE A 992 38.651 17.547 3.620 1.00 1.00 C ATOM 577 CE1 PHE A 992 37.032 19.361 4.998 1.00 1.00 C ATOM 578 CE2 PHE A 992 37.617 18.210 2.951 1.00 1.00 C ATOM 579 CZ PHE A 992 36.807 19.117 3.639 1.00 1.00 C ATOM 0 H PHE A 992 42.348 16.744 6.347 1.00 1.00 H new ATOM 0 HA PHE A 992 40.532 18.914 6.589 1.00 1.00 H new ATOM 0 HB2 PHE A 992 40.798 16.812 4.937 1.00 1.00 H new ATOM 0 HB3 PHE A 992 39.656 16.089 6.053 1.00 1.00 H new ATOM 0 HD1 PHE A 992 38.236 18.885 6.721 1.00 1.00 H new ATOM 0 HD2 PHE A 992 39.276 16.848 3.084 1.00 1.00 H new ATOM 0 HE1 PHE A 992 36.407 20.063 5.530 1.00 1.00 H new ATOM 0 HE2 PHE A 992 37.445 18.021 1.902 1.00 1.00 H new ATOM 0 HZ PHE A 992 36.008 19.629 3.123 1.00 1.00 H new ATOM 589 N PHE A 993 40.243 16.380 8.704 1.00 1.00 N ATOM 590 CA PHE A 993 39.620 15.970 9.957 1.00 1.00 C ATOM 591 C PHE A 993 40.359 16.538 11.164 1.00 1.00 C ATOM 592 O PHE A 993 39.912 16.368 12.300 1.00 1.00 O ATOM 593 CB PHE A 993 39.571 14.445 10.057 1.00 1.00 C ATOM 594 CG PHE A 993 38.474 13.919 9.164 1.00 1.00 C ATOM 595 CD1 PHE A 993 37.139 14.197 9.476 1.00 1.00 C ATOM 596 CD2 PHE A 993 38.785 13.155 8.034 1.00 1.00 C ATOM 597 CE1 PHE A 993 36.113 13.712 8.656 1.00 1.00 C ATOM 598 CE2 PHE A 993 37.759 12.668 7.214 1.00 1.00 C ATOM 599 CZ PHE A 993 36.422 12.947 7.526 1.00 1.00 C ATOM 0 H PHE A 993 40.921 15.720 8.324 1.00 1.00 H new ATOM 0 HA PHE A 993 38.605 16.367 9.960 1.00 1.00 H new ATOM 0 HB2 PHE A 993 40.530 14.019 9.763 1.00 1.00 H new ATOM 0 HB3 PHE A 993 39.391 14.143 11.089 1.00 1.00 H new ATOM 0 HD1 PHE A 993 36.900 14.786 10.349 1.00 1.00 H new ATOM 0 HD2 PHE A 993 39.816 12.941 7.794 1.00 1.00 H new ATOM 0 HE1 PHE A 993 35.082 13.929 8.896 1.00 1.00 H new ATOM 0 HE2 PHE A 993 37.998 12.078 6.342 1.00 1.00 H new ATOM 0 HZ PHE A 993 35.630 12.572 6.895 1.00 1.00 H new ATOM 609 N LYS A 994 41.464 17.241 10.933 1.00 1.00 N ATOM 610 CA LYS A 994 42.187 17.842 12.047 1.00 1.00 C ATOM 611 C LYS A 994 41.645 19.244 12.307 1.00 1.00 C ATOM 612 O LYS A 994 41.624 20.087 11.411 1.00 1.00 O ATOM 613 CB LYS A 994 43.690 17.936 11.756 1.00 1.00 C ATOM 614 CG LYS A 994 44.313 16.539 11.699 1.00 1.00 C ATOM 615 CD LYS A 994 45.818 16.674 11.438 1.00 1.00 C ATOM 616 CE LYS A 994 46.463 15.289 11.381 1.00 1.00 C ATOM 617 NZ LYS A 994 47.923 15.434 11.126 1.00 1.00 N ATOM 0 H LYS A 994 41.869 17.405 10.011 1.00 1.00 H new ATOM 0 HA LYS A 994 42.043 17.208 12.922 1.00 1.00 H new ATOM 0 HB2 LYS A 994 43.852 18.452 10.809 1.00 1.00 H new ATOM 0 HB3 LYS A 994 44.180 18.528 12.529 1.00 1.00 H new ATOM 0 HG2 LYS A 994 44.139 16.011 12.637 1.00 1.00 H new ATOM 0 HG3 LYS A 994 43.845 15.950 10.910 1.00 1.00 H new ATOM 0 HD2 LYS A 994 45.987 17.202 10.500 1.00 1.00 H new ATOM 0 HD3 LYS A 994 46.281 17.268 12.226 1.00 1.00 H new ATOM 0 HE2 LYS A 994 46.297 14.760 12.319 1.00 1.00 H new ATOM 0 HE3 LYS A 994 46.002 14.693 10.593 1.00 1.00 H new ATOM 0 HZ1 LYS A 994 48.364 14.493 11.087 1.00 1.00 H new ATOM 0 HZ2 LYS A 994 48.070 15.923 10.220 1.00 1.00 H new ATOM 0 HZ3 LYS A 994 48.356 15.987 11.893 1.00 1.00 H new ATOM 631 N ARG A 995 41.215 19.491 13.538 1.00 1.00 N ATOM 632 CA ARG A 995 40.684 20.791 13.908 1.00 1.00 C ATOM 633 C ARG A 995 41.159 21.148 15.304 1.00 1.00 C ATOM 634 O ARG A 995 41.446 20.262 16.109 1.00 1.00 O ATOM 635 CB ARG A 995 39.153 20.780 13.859 1.00 1.00 C ATOM 636 CG ARG A 995 38.686 20.613 12.412 1.00 1.00 C ATOM 637 CD ARG A 995 37.162 20.522 12.378 1.00 1.00 C ATOM 638 NE ARG A 995 36.574 21.770 12.857 1.00 1.00 N ATOM 639 CZ ARG A 995 36.346 22.790 12.035 1.00 1.00 C ATOM 640 NH1 ARG A 995 36.661 22.695 10.773 1.00 1.00 N ATOM 641 NH2 ARG A 995 35.810 23.890 12.495 1.00 1.00 N ATOM 0 H ARG A 995 41.225 18.807 14.295 1.00 1.00 H new ATOM 0 HA ARG A 995 41.043 21.537 13.199 1.00 1.00 H new ATOM 0 HB2 ARG A 995 38.766 19.967 14.473 1.00 1.00 H new ATOM 0 HB3 ARG A 995 38.759 21.708 14.274 1.00 1.00 H new ATOM 0 HG2 ARG A 995 39.024 21.456 11.809 1.00 1.00 H new ATOM 0 HG3 ARG A 995 39.125 19.714 11.978 1.00 1.00 H new ATOM 0 HD2 ARG A 995 36.825 20.319 11.362 1.00 1.00 H new ATOM 0 HD3 ARG A 995 36.826 19.691 12.998 1.00 1.00 H new ATOM 0 HE ARG A 995 36.333 21.861 13.844 1.00 1.00 H new ATOM 0 HH11 ARG A 995 37.083 21.838 10.416 1.00 1.00 H new ATOM 0 HH12 ARG A 995 36.486 23.478 10.143 1.00 1.00 H new ATOM 0 HH21 ARG A 995 35.567 23.965 13.483 1.00 1.00 H new ATOM 0 HH22 ARG A 995 35.634 24.674 11.866 1.00 1.00 H new ATOM 808 N ASP B 692 27.316 -15.830 -12.754 1.00 1.00 N ATOM 809 CA ASP B 692 26.542 -15.551 -11.548 1.00 1.00 C ATOM 810 C ASP B 692 27.451 -15.015 -10.445 1.00 1.00 C ATOM 811 O ASP B 692 27.093 -14.081 -9.733 1.00 1.00 O ATOM 812 CB ASP B 692 25.857 -16.833 -11.054 1.00 1.00 C ATOM 813 CG ASP B 692 24.527 -17.060 -11.777 1.00 1.00 C ATOM 814 OD1 ASP B 692 24.120 -16.188 -12.522 1.00 1.00 O ATOM 815 OD2 ASP B 692 23.938 -18.110 -11.571 1.00 1.00 O ATOM 0 HA ASP B 692 25.788 -14.802 -11.790 1.00 1.00 H new ATOM 0 HB2 ASP B 692 26.514 -17.687 -11.218 1.00 1.00 H new ATOM 0 HB3 ASP B 692 25.684 -16.766 -9.980 1.00 1.00 H new ATOM 820 N ILE B 693 28.640 -15.598 -10.314 1.00 1.00 N ATOM 821 CA ILE B 693 29.573 -15.145 -9.283 1.00 1.00 C ATOM 822 C ILE B 693 30.042 -13.719 -9.555 1.00 1.00 C ATOM 823 O ILE B 693 30.200 -12.929 -8.627 1.00 1.00 O ATOM 824 CB ILE B 693 30.785 -16.072 -9.209 1.00 1.00 C ATOM 825 CG1 ILE B 693 31.627 -15.709 -7.983 1.00 1.00 C ATOM 826 CG2 ILE B 693 31.621 -15.909 -10.477 1.00 1.00 C ATOM 827 CD1 ILE B 693 32.671 -16.797 -7.749 1.00 1.00 C ATOM 0 H ILE B 693 28.976 -16.367 -10.893 1.00 1.00 H new ATOM 0 HA ILE B 693 29.045 -15.166 -8.330 1.00 1.00 H new ATOM 0 HB ILE B 693 30.454 -17.107 -9.124 1.00 1.00 H new ATOM 0 HG12 ILE B 693 32.116 -14.747 -8.135 1.00 1.00 H new ATOM 0 HG13 ILE B 693 30.988 -15.607 -7.106 1.00 1.00 H new ATOM 0 HG21 ILE B 693 32.487 -16.569 -10.429 1.00 1.00 H new ATOM 0 HG22 ILE B 693 31.017 -16.166 -11.347 1.00 1.00 H new ATOM 0 HG23 ILE B 693 31.956 -14.875 -10.561 1.00 1.00 H new ATOM 0 HD11 ILE B 693 33.273 -16.542 -6.877 1.00 1.00 H new ATOM 0 HD12 ILE B 693 32.171 -17.751 -7.579 1.00 1.00 H new ATOM 0 HD13 ILE B 693 33.316 -16.877 -8.624 1.00 1.00 H new ATOM 839 N LEU B 694 30.275 -13.395 -10.825 1.00 1.00 N ATOM 840 CA LEU B 694 30.738 -12.057 -11.178 1.00 1.00 C ATOM 841 C LEU B 694 29.699 -11.018 -10.770 1.00 1.00 C ATOM 842 O LEU B 694 30.039 -9.974 -10.211 1.00 1.00 O ATOM 843 CB LEU B 694 30.997 -11.977 -12.688 1.00 1.00 C ATOM 844 CG LEU B 694 31.471 -10.572 -13.085 1.00 1.00 C ATOM 845 CD1 LEU B 694 32.741 -10.208 -12.311 1.00 1.00 C ATOM 846 CD2 LEU B 694 31.776 -10.553 -14.584 1.00 1.00 C ATOM 0 H LEU B 694 30.153 -14.029 -11.614 1.00 1.00 H new ATOM 0 HA LEU B 694 31.667 -11.852 -10.646 1.00 1.00 H new ATOM 0 HB2 LEU B 694 31.749 -12.713 -12.972 1.00 1.00 H new ATOM 0 HB3 LEU B 694 30.086 -12.226 -13.232 1.00 1.00 H new ATOM 0 HG LEU B 694 30.689 -9.850 -12.851 1.00 1.00 H new ATOM 0 HD11 LEU B 694 33.069 -9.210 -12.600 1.00 1.00 H new ATOM 0 HD12 LEU B 694 32.533 -10.226 -11.241 1.00 1.00 H new ATOM 0 HD13 LEU B 694 33.526 -10.929 -12.540 1.00 1.00 H new ATOM 0 HD21 LEU B 694 32.113 -9.558 -14.874 1.00 1.00 H new ATOM 0 HD22 LEU B 694 32.557 -11.280 -14.806 1.00 1.00 H new ATOM 0 HD23 LEU B 694 30.875 -10.807 -15.142 1.00 1.00 H new ATOM 858 N VAL B 695 28.430 -11.318 -11.030 1.00 1.00 N ATOM 859 CA VAL B 695 27.359 -10.402 -10.664 1.00 1.00 C ATOM 860 C VAL B 695 27.315 -10.246 -9.147 1.00 1.00 C ATOM 861 O VAL B 695 27.205 -9.135 -8.626 1.00 1.00 O ATOM 862 CB VAL B 695 26.018 -10.932 -11.168 1.00 1.00 C ATOM 863 CG1 VAL B 695 24.887 -10.073 -10.604 1.00 1.00 C ATOM 864 CG2 VAL B 695 25.993 -10.870 -12.698 1.00 1.00 C ATOM 0 H VAL B 695 28.122 -12.177 -11.487 1.00 1.00 H new ATOM 0 HA VAL B 695 27.549 -9.432 -11.123 1.00 1.00 H new ATOM 0 HB VAL B 695 25.886 -11.964 -10.842 1.00 1.00 H new ATOM 0 HG11 VAL B 695 23.930 -10.450 -10.963 1.00 1.00 H new ATOM 0 HG12 VAL B 695 24.908 -10.114 -9.515 1.00 1.00 H new ATOM 0 HG13 VAL B 695 25.016 -9.041 -10.931 1.00 1.00 H new ATOM 0 HG21 VAL B 695 25.037 -11.247 -13.062 1.00 1.00 H new ATOM 0 HG22 VAL B 695 26.123 -9.838 -13.022 1.00 1.00 H new ATOM 0 HG23 VAL B 695 26.801 -11.481 -13.100 1.00 1.00 H new ATOM 874 N VAL B 696 27.413 -11.372 -8.447 1.00 1.00 N ATOM 875 CA VAL B 696 27.392 -11.370 -6.987 1.00 1.00 C ATOM 876 C VAL B 696 28.604 -10.626 -6.432 1.00 1.00 C ATOM 877 O VAL B 696 28.481 -9.832 -5.497 1.00 1.00 O ATOM 878 CB VAL B 696 27.386 -12.806 -6.461 1.00 1.00 C ATOM 879 CG1 VAL B 696 27.564 -12.796 -4.941 1.00 1.00 C ATOM 880 CG2 VAL B 696 26.053 -13.471 -6.813 1.00 1.00 C ATOM 0 H VAL B 696 27.508 -12.297 -8.866 1.00 1.00 H new ATOM 0 HA VAL B 696 26.487 -10.860 -6.658 1.00 1.00 H new ATOM 0 HB VAL B 696 28.204 -13.363 -6.918 1.00 1.00 H new ATOM 0 HG11 VAL B 696 27.560 -13.820 -4.567 1.00 1.00 H new ATOM 0 HG12 VAL B 696 28.513 -12.322 -4.689 1.00 1.00 H new ATOM 0 HG13 VAL B 696 26.747 -12.239 -4.483 1.00 1.00 H new ATOM 0 HG21 VAL B 696 26.047 -14.495 -6.439 1.00 1.00 H new ATOM 0 HG22 VAL B 696 25.236 -12.913 -6.356 1.00 1.00 H new ATOM 0 HG23 VAL B 696 25.925 -13.480 -7.895 1.00 1.00 H new ATOM 890 N LEU B 697 29.771 -10.895 -7.007 1.00 1.00 N ATOM 891 CA LEU B 697 31.002 -10.254 -6.559 1.00 1.00 C ATOM 892 C LEU B 697 30.912 -8.744 -6.754 1.00 1.00 C ATOM 893 O LEU B 697 31.313 -7.973 -5.890 1.00 1.00 O ATOM 894 CB LEU B 697 32.193 -10.811 -7.350 1.00 1.00 C ATOM 895 CG LEU B 697 33.499 -10.135 -6.910 1.00 1.00 C ATOM 896 CD1 LEU B 697 33.712 -10.338 -5.408 1.00 1.00 C ATOM 897 CD2 LEU B 697 34.669 -10.759 -7.671 1.00 1.00 C ATOM 0 H LEU B 697 29.891 -11.549 -7.780 1.00 1.00 H new ATOM 0 HA LEU B 697 31.144 -10.463 -5.499 1.00 1.00 H new ATOM 0 HB2 LEU B 697 32.266 -11.888 -7.198 1.00 1.00 H new ATOM 0 HB3 LEU B 697 32.035 -10.650 -8.416 1.00 1.00 H new ATOM 0 HG LEU B 697 33.441 -9.068 -7.124 1.00 1.00 H new ATOM 0 HD11 LEU B 697 34.641 -9.855 -5.104 1.00 1.00 H new ATOM 0 HD12 LEU B 697 32.878 -9.899 -4.860 1.00 1.00 H new ATOM 0 HD13 LEU B 697 33.769 -11.404 -5.189 1.00 1.00 H new ATOM 0 HD21 LEU B 697 35.599 -10.282 -7.362 1.00 1.00 H new ATOM 0 HD22 LEU B 697 34.718 -11.826 -7.452 1.00 1.00 H new ATOM 0 HD23 LEU B 697 34.525 -10.614 -8.742 1.00 1.00 H new ATOM 909 N LEU B 698 30.383 -8.328 -7.891 1.00 1.00 N ATOM 910 CA LEU B 698 30.247 -6.904 -8.167 1.00 1.00 C ATOM 911 C LEU B 698 29.299 -6.261 -7.154 1.00 1.00 C ATOM 912 O LEU B 698 29.546 -5.157 -6.668 1.00 1.00 O ATOM 913 CB LEU B 698 29.715 -6.698 -9.593 1.00 1.00 C ATOM 914 CG LEU B 698 29.539 -5.201 -9.889 1.00 1.00 C ATOM 915 CD1 LEU B 698 30.869 -4.469 -9.700 1.00 1.00 C ATOM 916 CD2 LEU B 698 29.069 -5.021 -11.333 1.00 1.00 C ATOM 0 H LEU B 698 30.044 -8.944 -8.630 1.00 1.00 H new ATOM 0 HA LEU B 698 31.225 -6.430 -8.081 1.00 1.00 H new ATOM 0 HB2 LEU B 698 30.405 -7.139 -10.312 1.00 1.00 H new ATOM 0 HB3 LEU B 698 28.761 -7.213 -9.710 1.00 1.00 H new ATOM 0 HG LEU B 698 28.800 -4.788 -9.203 1.00 1.00 H new ATOM 0 HD11 LEU B 698 30.734 -3.408 -9.912 1.00 1.00 H new ATOM 0 HD12 LEU B 698 31.210 -4.593 -8.672 1.00 1.00 H new ATOM 0 HD13 LEU B 698 31.612 -4.883 -10.381 1.00 1.00 H new ATOM 0 HD21 LEU B 698 28.943 -3.959 -11.545 1.00 1.00 H new ATOM 0 HD22 LEU B 698 29.811 -5.441 -12.012 1.00 1.00 H new ATOM 0 HD23 LEU B 698 28.117 -5.534 -11.472 1.00 1.00 H new ATOM 928 N SER B 699 28.197 -6.952 -6.861 1.00 1.00 N ATOM 929 CA SER B 699 27.193 -6.436 -5.932 1.00 1.00 C ATOM 930 C SER B 699 27.739 -6.207 -4.518 1.00 1.00 C ATOM 931 O SER B 699 27.452 -5.173 -3.914 1.00 1.00 O ATOM 932 CB SER B 699 26.016 -7.408 -5.863 1.00 1.00 C ATOM 933 OG SER B 699 25.424 -7.521 -7.153 1.00 1.00 O ATOM 0 H SER B 699 27.978 -7.868 -7.253 1.00 1.00 H new ATOM 0 HA SER B 699 26.878 -5.466 -6.316 1.00 1.00 H new ATOM 0 HB2 SER B 699 26.356 -8.385 -5.519 1.00 1.00 H new ATOM 0 HB3 SER B 699 25.279 -7.055 -5.142 1.00 1.00 H new ATOM 0 HG SER B 699 25.994 -8.073 -7.727 1.00 1.00 H new ATOM 939 N VAL B 700 28.512 -7.153 -3.978 1.00 1.00 N ATOM 940 CA VAL B 700 29.038 -6.975 -2.626 1.00 1.00 C ATOM 941 C VAL B 700 30.019 -5.800 -2.593 1.00 1.00 C ATOM 942 O VAL B 700 30.004 -4.991 -1.664 1.00 1.00 O ATOM 943 CB VAL B 700 29.714 -8.255 -2.097 1.00 1.00 C ATOM 944 CG1 VAL B 700 28.926 -9.492 -2.547 1.00 1.00 C ATOM 945 CG2 VAL B 700 31.149 -8.349 -2.603 1.00 1.00 C ATOM 0 H VAL B 700 28.780 -8.022 -4.439 1.00 1.00 H new ATOM 0 HA VAL B 700 28.195 -6.758 -1.970 1.00 1.00 H new ATOM 0 HB VAL B 700 29.726 -8.213 -1.008 1.00 1.00 H new ATOM 0 HG11 VAL B 700 29.412 -10.391 -2.168 1.00 1.00 H new ATOM 0 HG12 VAL B 700 27.909 -9.437 -2.157 1.00 1.00 H new ATOM 0 HG13 VAL B 700 28.896 -9.528 -3.636 1.00 1.00 H new ATOM 0 HG21 VAL B 700 31.611 -9.259 -2.220 1.00 1.00 H new ATOM 0 HG22 VAL B 700 31.150 -8.373 -3.693 1.00 1.00 H new ATOM 0 HG23 VAL B 700 31.714 -7.483 -2.259 1.00 1.00 H new ATOM 955 N MET B 701 30.867 -5.712 -3.619 1.00 1.00 N ATOM 956 CA MET B 701 31.847 -4.636 -3.701 1.00 1.00 C ATOM 957 C MET B 701 31.154 -3.279 -3.815 1.00 1.00 C ATOM 958 O MET B 701 31.576 -2.299 -3.195 1.00 1.00 O ATOM 959 CB MET B 701 32.764 -4.860 -4.911 1.00 1.00 C ATOM 960 CG MET B 701 33.758 -5.983 -4.596 1.00 1.00 C ATOM 961 SD MET B 701 34.798 -6.309 -6.043 1.00 1.00 S ATOM 962 CE MET B 701 35.730 -4.759 -6.022 1.00 1.00 C ATOM 0 H MET B 701 30.893 -6.370 -4.398 1.00 1.00 H new ATOM 0 HA MET B 701 32.444 -4.641 -2.789 1.00 1.00 H new ATOM 0 HB2 MET B 701 32.171 -5.120 -5.788 1.00 1.00 H new ATOM 0 HB3 MET B 701 33.300 -3.941 -5.150 1.00 1.00 H new ATOM 0 HG2 MET B 701 34.380 -5.702 -3.746 1.00 1.00 H new ATOM 0 HG3 MET B 701 33.220 -6.888 -4.312 1.00 1.00 H new ATOM 0 HE1 MET B 701 36.677 -4.897 -6.545 1.00 1.00 H new ATOM 0 HE2 MET B 701 35.151 -3.980 -6.518 1.00 1.00 H new ATOM 0 HE3 MET B 701 35.924 -4.465 -4.990 1.00 1.00 H new ATOM 972 N GLY B 702 30.092 -3.226 -4.607 1.00 1.00 N ATOM 973 CA GLY B 702 29.354 -1.976 -4.789 1.00 1.00 C ATOM 974 C GLY B 702 28.725 -1.512 -3.482 1.00 1.00 C ATOM 975 O GLY B 702 28.739 -0.323 -3.171 1.00 1.00 O ATOM 0 H GLY B 702 29.723 -4.021 -5.129 1.00 1.00 H new ATOM 0 HA2 GLY B 702 30.026 -1.205 -5.166 1.00 1.00 H new ATOM 0 HA3 GLY B 702 28.577 -2.116 -5.540 1.00 1.00 H new ATOM 979 N ALA B 703 28.171 -2.452 -2.726 1.00 1.00 N ATOM 980 CA ALA B 703 27.535 -2.117 -1.459 1.00 1.00 C ATOM 981 C ALA B 703 28.552 -1.555 -0.480 1.00 1.00 C ATOM 982 O ALA B 703 28.272 -0.609 0.265 1.00 1.00 O ATOM 983 CB ALA B 703 26.888 -3.362 -0.854 1.00 1.00 C ATOM 0 H ALA B 703 28.149 -3.443 -2.965 1.00 1.00 H new ATOM 0 HA ALA B 703 26.772 -1.362 -1.650 1.00 1.00 H new ATOM 0 HB1 ALA B 703 26.415 -3.102 0.093 1.00 1.00 H new ATOM 0 HB2 ALA B 703 26.136 -3.751 -1.540 1.00 1.00 H new ATOM 0 HB3 ALA B 703 27.651 -4.122 -0.682 1.00 1.00 H new ATOM 989 N ILE B 704 29.750 -2.149 -0.486 1.00 1.00 N ATOM 990 CA ILE B 704 30.802 -1.700 0.415 1.00 1.00 C ATOM 991 C ILE B 704 31.230 -0.271 0.061 1.00 1.00 C ATOM 992 O ILE B 704 31.418 0.565 0.948 1.00 1.00 O ATOM 993 CB ILE B 704 32.007 -2.647 0.349 1.00 1.00 C ATOM 994 CG1 ILE B 704 31.605 -4.006 0.932 1.00 1.00 C ATOM 995 CG2 ILE B 704 33.148 -2.060 1.187 1.00 1.00 C ATOM 996 CD1 ILE B 704 32.693 -5.034 0.615 1.00 1.00 C ATOM 0 H ILE B 704 30.007 -2.926 -1.094 1.00 1.00 H new ATOM 0 HA ILE B 704 30.412 -1.707 1.433 1.00 1.00 H new ATOM 0 HB ILE B 704 32.330 -2.768 -0.685 1.00 1.00 H new ATOM 0 HG12 ILE B 704 31.468 -3.926 2.010 1.00 1.00 H new ATOM 0 HG13 ILE B 704 30.652 -4.327 0.512 1.00 1.00 H new ATOM 0 HG21 ILE B 704 34.010 -2.727 1.146 1.00 1.00 H new ATOM 0 HG22 ILE B 704 33.426 -1.083 0.790 1.00 1.00 H new ATOM 0 HG23 ILE B 704 32.821 -1.952 2.221 1.00 1.00 H new ATOM 0 HD11 ILE B 704 32.410 -6.002 1.028 1.00 1.00 H new ATOM 0 HD12 ILE B 704 32.808 -5.120 -0.465 1.00 1.00 H new ATOM 0 HD13 ILE B 704 33.637 -4.713 1.056 1.00 1.00 H new ATOM 1008 N LEU B 705 31.378 0.015 -1.237 1.00 1.00 N ATOM 1009 CA LEU B 705 31.780 1.356 -1.675 1.00 1.00 C ATOM 1010 C LEU B 705 30.729 2.376 -1.243 1.00 1.00 C ATOM 1011 O LEU B 705 31.061 3.481 -0.810 1.00 1.00 O ATOM 1012 CB LEU B 705 31.918 1.373 -3.209 1.00 1.00 C ATOM 1013 CG LEU B 705 33.170 0.582 -3.645 1.00 1.00 C ATOM 1014 CD1 LEU B 705 33.111 0.329 -5.159 1.00 1.00 C ATOM 1015 CD2 LEU B 705 34.440 1.383 -3.333 1.00 1.00 C ATOM 0 H LEU B 705 31.228 -0.653 -1.993 1.00 1.00 H new ATOM 0 HA LEU B 705 32.737 1.614 -1.221 1.00 1.00 H new ATOM 0 HB2 LEU B 705 31.028 0.939 -3.665 1.00 1.00 H new ATOM 0 HB3 LEU B 705 31.988 2.402 -3.563 1.00 1.00 H new ATOM 0 HG LEU B 705 33.193 -0.363 -3.102 1.00 1.00 H new ATOM 0 HD11 LEU B 705 33.994 -0.229 -5.469 1.00 1.00 H new ATOM 0 HD12 LEU B 705 32.216 -0.246 -5.397 1.00 1.00 H new ATOM 0 HD13 LEU B 705 33.081 1.282 -5.686 1.00 1.00 H new ATOM 0 HD21 LEU B 705 35.315 0.814 -3.646 1.00 1.00 H new ATOM 0 HD22 LEU B 705 34.413 2.331 -3.870 1.00 1.00 H new ATOM 0 HD23 LEU B 705 34.495 1.574 -2.261 1.00 1.00 H new ATOM 1027 N LEU B 706 29.441 2.012 -1.379 1.00 1.00 N ATOM 1028 CA LEU B 706 28.378 2.930 -0.988 1.00 1.00 C ATOM 1029 C LEU B 706 28.467 3.203 0.512 1.00 1.00 C ATOM 1030 O LEU B 706 28.325 4.330 0.952 1.00 1.00 O ATOM 1031 CB LEU B 706 26.992 2.341 -1.320 1.00 1.00 C ATOM 1032 CG LEU B 706 25.869 3.318 -0.919 1.00 1.00 C ATOM 1033 CD1 LEU B 706 26.049 4.667 -1.633 1.00 1.00 C ATOM 1034 CD2 LEU B 706 24.524 2.715 -1.338 1.00 1.00 C ATOM 0 H LEU B 706 29.126 1.114 -1.746 1.00 1.00 H new ATOM 0 HA LEU B 706 28.502 3.859 -1.544 1.00 1.00 H new ATOM 0 HB2 LEU B 706 26.929 2.127 -2.387 1.00 1.00 H new ATOM 0 HB3 LEU B 706 26.860 1.394 -0.797 1.00 1.00 H new ATOM 0 HG LEU B 706 25.904 3.479 0.158 1.00 1.00 H new ATOM 0 HD11 LEU B 706 25.248 5.344 -1.338 1.00 1.00 H new ATOM 0 HD12 LEU B 706 27.010 5.100 -1.356 1.00 1.00 H new ATOM 0 HD13 LEU B 706 26.017 4.515 -2.712 1.00 1.00 H new ATOM 0 HD21 LEU B 706 23.718 3.395 -1.061 1.00 1.00 H new ATOM 0 HD22 LEU B 706 24.514 2.562 -2.417 1.00 1.00 H new ATOM 0 HD23 LEU B 706 24.381 1.759 -0.834 1.00 1.00 H new ATOM 1046 N ILE B 707 28.691 2.142 1.296 1.00 1.00 N ATOM 1047 CA ILE B 707 28.779 2.301 2.757 1.00 1.00 C ATOM 1048 C ILE B 707 29.989 3.161 3.137 1.00 1.00 C ATOM 1049 O ILE B 707 29.886 4.084 3.952 1.00 1.00 O ATOM 1050 CB ILE B 707 28.884 0.928 3.421 1.00 1.00 C ATOM 1051 CG1 ILE B 707 27.559 0.190 3.243 1.00 1.00 C ATOM 1052 CG2 ILE B 707 29.163 1.118 4.919 1.00 1.00 C ATOM 1053 CD1 ILE B 707 27.724 -1.287 3.633 1.00 1.00 C ATOM 0 H ILE B 707 28.812 1.187 0.958 1.00 1.00 H new ATOM 0 HA ILE B 707 27.877 2.803 3.107 1.00 1.00 H new ATOM 0 HB ILE B 707 29.691 0.352 2.967 1.00 1.00 H new ATOM 0 HG12 ILE B 707 26.789 0.654 3.860 1.00 1.00 H new ATOM 0 HG13 ILE B 707 27.227 0.266 2.208 1.00 1.00 H new ATOM 0 HG21 ILE B 707 29.240 0.144 5.401 1.00 1.00 H new ATOM 0 HG22 ILE B 707 30.099 1.662 5.049 1.00 1.00 H new ATOM 0 HG23 ILE B 707 28.349 1.684 5.372 1.00 1.00 H new ATOM 0 HD11 ILE B 707 26.774 -1.806 3.503 1.00 1.00 H new ATOM 0 HD12 ILE B 707 28.480 -1.749 2.998 1.00 1.00 H new ATOM 0 HD13 ILE B 707 28.035 -1.355 4.675 1.00 1.00 H new ATOM 1065 N GLY B 708 31.146 2.870 2.531 1.00 1.00 N ATOM 1066 CA GLY B 708 32.350 3.651 2.830 1.00 1.00 C ATOM 1067 C GLY B 708 32.150 5.116 2.477 1.00 1.00 C ATOM 1068 O GLY B 708 32.524 6.008 3.242 1.00 1.00 O ATOM 0 H GLY B 708 31.273 2.122 1.850 1.00 1.00 H new ATOM 0 HA2 GLY B 708 32.595 3.558 3.888 1.00 1.00 H new ATOM 0 HA3 GLY B 708 33.196 3.251 2.271 1.00 1.00 H new ATOM 1072 N LEU B 709 31.548 5.364 1.320 1.00 1.00 N ATOM 1073 CA LEU B 709 31.305 6.735 0.880 1.00 1.00 C ATOM 1074 C LEU B 709 30.349 7.438 1.840 1.00 1.00 C ATOM 1075 O LEU B 709 30.540 8.606 2.189 1.00 1.00 O ATOM 1076 CB LEU B 709 30.725 6.734 -0.542 1.00 1.00 C ATOM 1077 CG LEU B 709 30.467 8.170 -1.020 1.00 1.00 C ATOM 1078 CD1 LEU B 709 31.763 8.981 -0.972 1.00 1.00 C ATOM 1079 CD2 LEU B 709 29.951 8.144 -2.460 1.00 1.00 C ATOM 0 H LEU B 709 31.222 4.644 0.675 1.00 1.00 H new ATOM 0 HA LEU B 709 32.251 7.276 0.875 1.00 1.00 H new ATOM 0 HB2 LEU B 709 31.416 6.237 -1.222 1.00 1.00 H new ATOM 0 HB3 LEU B 709 29.795 6.166 -0.561 1.00 1.00 H new ATOM 0 HG LEU B 709 29.727 8.631 -0.366 1.00 1.00 H new ATOM 0 HD11 LEU B 709 31.569 9.998 -1.313 1.00 1.00 H new ATOM 0 HD12 LEU B 709 32.138 9.007 0.051 1.00 1.00 H new ATOM 0 HD13 LEU B 709 32.507 8.517 -1.620 1.00 1.00 H new ATOM 0 HD21 LEU B 709 29.768 9.164 -2.799 1.00 1.00 H new ATOM 0 HD22 LEU B 709 30.695 7.675 -3.105 1.00 1.00 H new ATOM 0 HD23 LEU B 709 29.022 7.575 -2.504 1.00 1.00 H new ATOM 1091 N ALA B 710 29.309 6.723 2.251 1.00 1.00 N ATOM 1092 CA ALA B 710 28.318 7.288 3.156 1.00 1.00 C ATOM 1093 C ALA B 710 28.935 7.668 4.509 1.00 1.00 C ATOM 1094 O ALA B 710 28.602 8.707 5.078 1.00 1.00 O ATOM 1095 CB ALA B 710 27.192 6.281 3.383 1.00 1.00 C ATOM 0 H ALA B 710 29.131 5.758 1.974 1.00 1.00 H new ATOM 0 HA ALA B 710 27.927 8.194 2.693 1.00 1.00 H new ATOM 0 HB1 ALA B 710 26.453 6.708 4.061 1.00 1.00 H new ATOM 0 HB2 ALA B 710 26.717 6.045 2.431 1.00 1.00 H new ATOM 0 HB3 ALA B 710 27.601 5.370 3.820 1.00 1.00 H new ATOM 1101 N ALA B 711 29.833 6.831 5.019 1.00 1.00 N ATOM 1102 CA ALA B 711 30.469 7.116 6.307 1.00 1.00 C ATOM 1103 C ALA B 711 31.303 8.387 6.229 1.00 1.00 C ATOM 1104 O ALA B 711 31.291 9.206 7.149 1.00 1.00 O ATOM 1105 CB ALA B 711 31.356 5.945 6.728 1.00 1.00 C ATOM 0 H ALA B 711 30.135 5.965 4.573 1.00 1.00 H new ATOM 0 HA ALA B 711 29.683 7.259 7.049 1.00 1.00 H new ATOM 0 HB1 ALA B 711 31.823 6.169 7.687 1.00 1.00 H new ATOM 0 HB2 ALA B 711 30.749 5.044 6.821 1.00 1.00 H new ATOM 0 HB3 ALA B 711 32.129 5.785 5.976 1.00 1.00 H new ATOM 1111 N LEU B 712 32.016 8.552 5.120 1.00 1.00 N ATOM 1112 CA LEU B 712 32.842 9.734 4.923 1.00 1.00 C ATOM 1113 C LEU B 712 31.977 10.987 4.870 1.00 1.00 C ATOM 1114 O LEU B 712 32.326 12.023 5.435 1.00 1.00 O ATOM 1115 CB LEU B 712 33.639 9.598 3.622 1.00 1.00 C ATOM 1116 CG LEU B 712 34.700 8.499 3.782 1.00 1.00 C ATOM 1117 CD1 LEU B 712 35.348 8.217 2.428 1.00 1.00 C ATOM 1118 CD2 LEU B 712 35.780 8.939 4.779 1.00 1.00 C ATOM 0 H LEU B 712 32.038 7.885 4.348 1.00 1.00 H new ATOM 0 HA LEU B 712 33.532 9.822 5.763 1.00 1.00 H new ATOM 0 HB2 LEU B 712 32.970 9.354 2.797 1.00 1.00 H new ATOM 0 HB3 LEU B 712 34.117 10.546 3.375 1.00 1.00 H new ATOM 0 HG LEU B 712 34.217 7.597 4.158 1.00 1.00 H new ATOM 0 HD11 LEU B 712 36.101 7.437 2.540 1.00 1.00 H new ATOM 0 HD12 LEU B 712 34.586 7.887 1.722 1.00 1.00 H new ATOM 0 HD13 LEU B 712 35.820 9.126 2.054 1.00 1.00 H new ATOM 0 HD21 LEU B 712 36.524 8.149 4.881 1.00 1.00 H new ATOM 0 HD22 LEU B 712 36.262 9.847 4.416 1.00 1.00 H new ATOM 0 HD23 LEU B 712 35.322 9.134 5.749 1.00 1.00 H new ATOM 1130 N LEU B 713 30.846 10.881 4.176 1.00 1.00 N ATOM 1131 CA LEU B 713 29.928 12.003 4.034 1.00 1.00 C ATOM 1132 C LEU B 713 29.370 12.425 5.390 1.00 1.00 C ATOM 1133 O LEU B 713 29.262 13.614 5.682 1.00 1.00 O ATOM 1134 CB LEU B 713 28.776 11.618 3.091 1.00 1.00 C ATOM 1135 CG LEU B 713 27.790 12.786 2.933 1.00 1.00 C ATOM 1136 CD1 LEU B 713 28.520 14.026 2.405 1.00 1.00 C ATOM 1137 CD2 LEU B 713 26.698 12.387 1.938 1.00 1.00 C ATOM 0 H LEU B 713 30.545 10.028 3.704 1.00 1.00 H new ATOM 0 HA LEU B 713 30.476 12.845 3.612 1.00 1.00 H new ATOM 0 HB2 LEU B 713 29.175 11.338 2.116 1.00 1.00 H new ATOM 0 HB3 LEU B 713 28.254 10.745 3.484 1.00 1.00 H new ATOM 0 HG LEU B 713 27.350 13.016 3.903 1.00 1.00 H new ATOM 0 HD11 LEU B 713 27.811 14.847 2.297 1.00 1.00 H new ATOM 0 HD12 LEU B 713 29.304 14.313 3.106 1.00 1.00 H new ATOM 0 HD13 LEU B 713 28.965 13.801 1.436 1.00 1.00 H new ATOM 0 HD21 LEU B 713 25.994 13.211 1.820 1.00 1.00 H new ATOM 0 HD22 LEU B 713 27.151 12.156 0.974 1.00 1.00 H new ATOM 0 HD23 LEU B 713 26.170 11.509 2.310 1.00 1.00 H new ATOM 1149 N ILE B 714 29.011 11.451 6.217 1.00 1.00 N ATOM 1150 CA ILE B 714 28.463 11.761 7.528 1.00 1.00 C ATOM 1151 C ILE B 714 29.494 12.487 8.390 1.00 1.00 C ATOM 1152 O ILE B 714 29.169 13.464 9.060 1.00 1.00 O ATOM 1153 CB ILE B 714 28.031 10.469 8.221 1.00 1.00 C ATOM 1154 CG1 ILE B 714 26.833 9.875 7.479 1.00 1.00 C ATOM 1155 CG2 ILE B 714 27.637 10.773 9.671 1.00 1.00 C ATOM 1156 CD1 ILE B 714 26.568 8.450 7.981 1.00 1.00 C ATOM 0 H ILE B 714 29.088 10.456 6.007 1.00 1.00 H new ATOM 0 HA ILE B 714 27.601 12.415 7.398 1.00 1.00 H new ATOM 0 HB ILE B 714 28.856 9.756 8.213 1.00 1.00 H new ATOM 0 HG12 ILE B 714 25.951 10.496 7.636 1.00 1.00 H new ATOM 0 HG13 ILE B 714 27.027 9.863 6.406 1.00 1.00 H new ATOM 0 HG21 ILE B 714 27.329 9.852 10.165 1.00 1.00 H new ATOM 0 HG22 ILE B 714 28.490 11.200 10.198 1.00 1.00 H new ATOM 0 HG23 ILE B 714 26.811 11.484 9.682 1.00 1.00 H new ATOM 0 HD11 ILE B 714 25.714 8.030 7.450 1.00 1.00 H new ATOM 0 HD12 ILE B 714 27.447 7.831 7.801 1.00 1.00 H new ATOM 0 HD13 ILE B 714 26.355 8.474 9.050 1.00 1.00 H new ATOM 1168 N TRP B 715 30.735 12.009 8.370 1.00 1.00 N ATOM 1169 CA TRP B 715 31.789 12.631 9.161 1.00 1.00 C ATOM 1170 C TRP B 715 31.964 14.083 8.718 1.00 1.00 C ATOM 1171 O TRP B 715 32.072 14.996 9.538 1.00 1.00 O ATOM 1172 CB TRP B 715 33.095 11.858 8.959 1.00 1.00 C ATOM 1173 CG TRP B 715 33.963 11.956 10.181 1.00 1.00 C ATOM 1174 CD1 TRP B 715 33.952 12.972 11.076 1.00 1.00 C ATOM 1175 CD2 TRP B 715 34.964 11.009 10.653 1.00 1.00 C ATOM 1176 NE1 TRP B 715 34.886 12.708 12.061 1.00 1.00 N ATOM 1177 CE2 TRP B 715 35.536 11.510 11.845 1.00 1.00 C ATOM 1178 CE3 TRP B 715 35.428 9.775 10.165 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 36.533 10.813 12.528 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 36.430 9.070 10.849 1.00 1.00 C ATOM 1181 CH2 TRP B 715 36.981 9.587 12.028 1.00 1.00 C ATOM 0 H TRP B 715 31.032 11.202 7.821 1.00 1.00 H new ATOM 0 HA TRP B 715 31.521 12.611 10.217 1.00 1.00 H new ATOM 0 HB2 TRP B 715 32.875 10.812 8.746 1.00 1.00 H new ATOM 0 HB3 TRP B 715 33.628 12.254 8.095 1.00 1.00 H new ATOM 0 HD1 TRP B 715 33.318 13.845 11.028 1.00 1.00 H new ATOM 0 HE1 TRP B 715 35.072 13.325 12.852 1.00 1.00 H new ATOM 0 HE3 TRP B 715 35.010 9.367 9.257 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 36.955 11.218 13.436 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 36.778 8.123 10.464 1.00 1.00 H new ATOM 0 HH2 TRP B 715 37.751 9.039 12.550 1.00 1.00 H new ATOM 1192 N LYS B 716 31.963 14.287 7.405 1.00 1.00 N ATOM 1193 CA LYS B 716 32.100 15.618 6.835 1.00 1.00 C ATOM 1194 C LYS B 716 30.927 16.489 7.275 1.00 1.00 C ATOM 1195 O LYS B 716 31.083 17.682 7.516 1.00 1.00 O ATOM 1196 CB LYS B 716 32.107 15.522 5.293 1.00 1.00 C ATOM 1197 CG LYS B 716 33.512 15.784 4.699 1.00 1.00 C ATOM 1198 CD LYS B 716 33.685 17.263 4.326 1.00 1.00 C ATOM 1199 CE LYS B 716 33.781 18.120 5.587 1.00 1.00 C ATOM 1200 NZ LYS B 716 34.082 19.530 5.208 1.00 1.00 N ATOM 0 H LYS B 716 31.868 13.542 6.715 1.00 1.00 H new ATOM 0 HA LYS B 716 33.034 16.060 7.181 1.00 1.00 H new ATOM 0 HB2 LYS B 716 31.765 14.532 4.990 1.00 1.00 H new ATOM 0 HB3 LYS B 716 31.400 16.243 4.882 1.00 1.00 H new ATOM 0 HG2 LYS B 716 34.276 15.496 5.421 1.00 1.00 H new ATOM 0 HG3 LYS B 716 33.659 15.163 3.815 1.00 1.00 H new ATOM 0 HD2 LYS B 716 34.584 17.390 3.722 1.00 1.00 H new ATOM 0 HD3 LYS B 716 32.843 17.593 3.717 1.00 1.00 H new ATOM 0 HE2 LYS B 716 32.845 18.074 6.143 1.00 1.00 H new ATOM 0 HE3 LYS B 716 34.561 17.734 6.243 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 34.215 20.100 6.068 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 34.951 19.558 4.637 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 33.291 19.917 4.655 1.00 1.00 H new ATOM 1214 N LEU B 717 29.745 15.892 7.353 1.00 1.00 N ATOM 1215 CA LEU B 717 28.548 16.637 7.737 1.00 1.00 C ATOM 1216 C LEU B 717 28.689 17.195 9.153 1.00 1.00 C ATOM 1217 O LEU B 717 28.296 18.332 9.424 1.00 1.00 O ATOM 1218 CB LEU B 717 27.323 15.727 7.650 1.00 1.00 C ATOM 1219 CG LEU B 717 26.051 16.499 7.994 1.00 1.00 C ATOM 1220 CD1 LEU B 717 25.851 17.660 7.009 1.00 1.00 C ATOM 1221 CD2 LEU B 717 24.851 15.560 7.908 1.00 1.00 C ATOM 0 H LEU B 717 29.587 14.903 7.158 1.00 1.00 H new ATOM 0 HA LEU B 717 28.424 17.474 7.051 1.00 1.00 H new ATOM 0 HB2 LEU B 717 27.242 15.313 6.645 1.00 1.00 H new ATOM 0 HB3 LEU B 717 27.440 14.886 8.333 1.00 1.00 H new ATOM 0 HG LEU B 717 26.143 16.898 9.004 1.00 1.00 H new ATOM 0 HD11 LEU B 717 24.941 18.202 7.265 1.00 1.00 H new ATOM 0 HD12 LEU B 717 26.704 18.336 7.065 1.00 1.00 H new ATOM 0 HD13 LEU B 717 25.766 17.267 5.996 1.00 1.00 H new ATOM 0 HD21 LEU B 717 23.942 16.108 8.153 1.00 1.00 H new ATOM 0 HD22 LEU B 717 24.773 15.161 6.897 1.00 1.00 H new ATOM 0 HD23 LEU B 717 24.980 14.739 8.613 1.00 1.00 H new ATOM 1233 N LEU B 718 29.246 16.399 10.068 1.00 1.00 N ATOM 1234 CA LEU B 718 29.409 16.867 11.441 1.00 1.00 C ATOM 1235 C LEU B 718 30.362 18.059 11.485 1.00 1.00 C ATOM 1236 O LEU B 718 30.216 18.985 12.283 1.00 1.00 O ATOM 1237 CB LEU B 718 29.948 15.757 12.362 1.00 1.00 C ATOM 1238 CG LEU B 718 28.798 14.879 12.906 1.00 1.00 C ATOM 1239 CD1 LEU B 718 28.178 14.053 11.779 1.00 1.00 C ATOM 1240 CD2 LEU B 718 29.345 13.939 13.979 1.00 1.00 C ATOM 0 H LEU B 718 29.583 15.453 9.889 1.00 1.00 H new ATOM 0 HA LEU B 718 28.424 17.165 11.799 1.00 1.00 H new ATOM 0 HB2 LEU B 718 30.655 15.136 11.813 1.00 1.00 H new ATOM 0 HB3 LEU B 718 30.494 16.203 13.193 1.00 1.00 H new ATOM 0 HG LEU B 718 28.031 15.526 13.332 1.00 1.00 H new ATOM 0 HD11 LEU B 718 27.370 13.440 12.179 1.00 1.00 H new ATOM 0 HD12 LEU B 718 27.782 14.721 11.014 1.00 1.00 H new ATOM 0 HD13 LEU B 718 28.939 13.408 11.340 1.00 1.00 H new ATOM 0 HD21 LEU B 718 28.537 13.318 14.365 1.00 1.00 H new ATOM 0 HD22 LEU B 718 30.117 13.302 13.546 1.00 1.00 H new ATOM 0 HD23 LEU B 718 29.773 14.525 14.792 1.00 1.00 H new ATOM 1252 N ILE B 719 31.387 18.027 10.632 1.00 1.00 N ATOM 1253 CA ILE B 719 32.334 19.166 10.628 1.00 1.00 C ATOM 1254 C ILE B 719 31.679 20.428 10.069 1.00 1.00 C ATOM 1255 O ILE B 719 31.891 21.519 10.561 1.00 1.00 O ATOM 1256 CB ILE B 719 33.620 18.886 9.853 1.00 1.00 C ATOM 1257 CG1 ILE B 719 34.470 17.879 10.626 1.00 1.00 C ATOM 1258 CG2 ILE B 719 34.387 20.198 9.684 1.00 1.00 C ATOM 1259 CD1 ILE B 719 35.665 17.432 9.783 1.00 1.00 C ATOM 0 H ILE B 719 31.585 17.278 9.969 1.00 1.00 H new ATOM 0 HA ILE B 719 32.605 19.317 11.673 1.00 1.00 H new ATOM 0 HB ILE B 719 33.385 18.471 8.873 1.00 1.00 H new ATOM 0 HG12 ILE B 719 34.820 18.327 11.556 1.00 1.00 H new ATOM 0 HG13 ILE B 719 33.864 17.014 10.897 1.00 1.00 H new ATOM 0 HG21 ILE B 719 35.308 20.012 9.132 1.00 1.00 H new ATOM 0 HG22 ILE B 719 33.772 20.911 9.135 1.00 1.00 H new ATOM 0 HG23 ILE B 719 34.628 20.607 10.665 1.00 1.00 H new ATOM 0 HD11 ILE B 719 36.261 16.715 10.348 1.00 1.00 H new ATOM 0 HD12 ILE B 719 35.308 16.965 8.865 1.00 1.00 H new ATOM 0 HD13 ILE B 719 36.279 18.298 9.534 1.00 1.00 H new ATOM 1271 N THR B 720 30.932 20.285 8.989 1.00 1.00 N ATOM 1272 CA THR B 720 30.315 21.452 8.349 1.00 1.00 C ATOM 1273 C THR B 720 29.280 22.150 9.247 1.00 1.00 C ATOM 1274 O THR B 720 29.292 23.375 9.393 1.00 1.00 O ATOM 1275 CB THR B 720 29.638 21.029 7.047 1.00 1.00 C ATOM 1276 OG1 THR B 720 30.528 20.226 6.294 1.00 1.00 O ATOM 1277 CG2 THR B 720 29.245 22.259 6.209 1.00 1.00 C ATOM 0 H THR B 720 30.735 19.392 8.537 1.00 1.00 H new ATOM 0 HA THR B 720 31.117 22.165 8.156 1.00 1.00 H new ATOM 0 HB THR B 720 28.737 20.468 7.294 1.00 1.00 H new ATOM 0 HG1 THR B 720 30.554 19.323 6.673 1.00 1.00 H new ATOM 0 HG21 THR B 720 28.765 21.932 5.287 1.00 1.00 H new ATOM 0 HG22 THR B 720 28.554 22.881 6.778 1.00 1.00 H new ATOM 0 HG23 THR B 720 30.138 22.836 5.968 1.00 1.00 H new ATOM 1285 N ILE B 721 28.368 21.379 9.845 1.00 1.00 N ATOM 1286 CA ILE B 721 27.349 21.999 10.701 1.00 1.00 C ATOM 1287 C ILE B 721 27.971 22.639 11.942 1.00 1.00 C ATOM 1288 O ILE B 721 27.673 23.790 12.276 1.00 1.00 O ATOM 1289 CB ILE B 721 26.308 20.976 11.131 1.00 1.00 C ATOM 1290 CG1 ILE B 721 25.693 20.301 9.888 1.00 1.00 C ATOM 1291 CG2 ILE B 721 25.217 21.661 11.962 1.00 1.00 C ATOM 1292 CD1 ILE B 721 25.057 21.332 8.950 1.00 1.00 C ATOM 0 H ILE B 721 28.311 20.364 9.760 1.00 1.00 H new ATOM 0 HA ILE B 721 26.868 22.779 10.111 1.00 1.00 H new ATOM 0 HB ILE B 721 26.786 20.212 11.744 1.00 1.00 H new ATOM 0 HG12 ILE B 721 26.465 19.747 9.353 1.00 1.00 H new ATOM 0 HG13 ILE B 721 24.940 19.577 10.200 1.00 1.00 H new ATOM 0 HG21 ILE B 721 24.475 20.923 12.267 1.00 1.00 H new ATOM 0 HG22 ILE B 721 25.664 22.113 12.847 1.00 1.00 H new ATOM 0 HG23 ILE B 721 24.735 22.434 11.364 1.00 1.00 H new ATOM 0 HD11 ILE B 721 24.633 20.823 8.084 1.00 1.00 H new ATOM 0 HD12 ILE B 721 24.268 21.867 9.479 1.00 1.00 H new ATOM 0 HD13 ILE B 721 25.817 22.040 8.619 1.00 1.00 H new ATOM 1304 N HIS B 722 28.838 21.887 12.626 1.00 1.00 N ATOM 1305 CA HIS B 722 29.500 22.399 13.824 1.00 1.00 C ATOM 1306 C HIS B 722 30.486 23.523 13.512 1.00 1.00 C ATOM 1307 O HIS B 722 30.550 24.518 14.237 1.00 1.00 O ATOM 1308 CB HIS B 722 30.179 21.258 14.590 1.00 1.00 C ATOM 1309 CG HIS B 722 31.670 21.418 14.537 1.00 1.00 C ATOM 1310 ND1 HIS B 722 32.457 20.640 13.701 1.00 1.00 N ATOM 1311 CD2 HIS B 722 32.536 22.253 15.200 1.00 1.00 C ATOM 1312 CE1 HIS B 722 33.735 21.019 13.881 1.00 1.00 C ATOM 1313 NE2 HIS B 722 33.841 22.001 14.783 1.00 1.00 N ATOM 0 H HIS B 722 29.094 20.933 12.373 1.00 1.00 H new ATOM 0 HA HIS B 722 28.729 22.834 14.460 1.00 1.00 H new ATOM 0 HB2 HIS B 722 29.842 21.254 15.627 1.00 1.00 H new ATOM 0 HB3 HIS B 722 29.893 20.299 14.159 1.00 1.00 H new ATOM 0 HD2 HIS B 722 32.249 22.992 15.933 1.00 1.00 H new ATOM 0 HE1 HIS B 722 34.574 20.583 13.360 1.00 1.00 H new ATOM 0 HE2 HIS B 722 34.693 22.465 15.097 1.00 1.00 H new ATOM 1321 N ASP B 723 31.264 23.359 12.451 1.00 1.00 N ATOM 1322 CA ASP B 723 32.246 24.373 12.087 1.00 1.00 C ATOM 1323 C ASP B 723 31.560 25.688 11.736 1.00 1.00 C ATOM 1324 O ASP B 723 32.026 26.759 12.115 1.00 1.00 O ATOM 1325 CB ASP B 723 33.081 23.906 10.893 1.00 1.00 C ATOM 1326 CG ASP B 723 34.116 24.960 10.533 1.00 1.00 C ATOM 1327 OD1 ASP B 723 34.091 26.024 11.132 1.00 1.00 O ATOM 1328 OD2 ASP B 723 34.926 24.681 9.670 1.00 1.00 O ATOM 0 H ASP B 723 31.237 22.547 11.835 1.00 1.00 H new ATOM 0 HA ASP B 723 32.899 24.529 12.946 1.00 1.00 H new ATOM 0 HB2 ASP B 723 33.577 22.965 11.132 1.00 1.00 H new ATOM 0 HB3 ASP B 723 32.432 23.716 10.038 1.00 1.00 H new