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 Set 1.1: B 716 LYS NZ :NH3+ 164:sc= -0.0524 (180deg=-0.182) USER MOD Set 1.2: B 720 THR OG1 : rot 80:sc= 0.841 USER MOD Single : A 981 THR OG1 : rot 74:sc= 0.55 USER MOD Single : A 987 MET CE :methyl -164:sc= -2.36 (180deg=-3.41) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 994 LYS NZ :NH3+ 159:sc= -0.0378 (180deg=-0.539) USER MOD Single : B 699 SER OG : rot 77:sc= 0.807 USER MOD Single : B 701 MET CE :methyl 153:sc= -0.167 (180deg=-1.04) USER MOD Single : B 722 HIS : no HD1:sc= -1.93 K(o=-1.9,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 30.780 -18.298 -1.129 1.00 1.00 N ATOM 137 CA ILE A 966 30.886 -17.320 -0.053 1.00 1.00 C ATOM 138 C ILE A 966 32.318 -16.810 0.109 1.00 1.00 C ATOM 139 O ILE A 966 32.524 -15.690 0.576 1.00 1.00 O ATOM 140 CB ILE A 966 30.407 -17.932 1.265 1.00 1.00 C ATOM 141 CG1 ILE A 966 30.277 -16.833 2.326 1.00 1.00 C ATOM 142 CG2 ILE A 966 31.418 -18.976 1.740 1.00 1.00 C ATOM 143 CD1 ILE A 966 29.538 -17.388 3.546 1.00 1.00 C ATOM 0 HA ILE A 966 30.253 -16.473 -0.317 1.00 1.00 H new ATOM 0 HB ILE A 966 29.437 -18.405 1.111 1.00 1.00 H new ATOM 0 HG12 ILE A 966 31.264 -16.475 2.617 1.00 1.00 H new ATOM 0 HG13 ILE A 966 29.736 -15.980 1.917 1.00 1.00 H new ATOM 0 HG21 ILE A 966 31.077 -19.412 2.679 1.00 1.00 H new ATOM 0 HG22 ILE A 966 31.512 -19.760 0.989 1.00 1.00 H new ATOM 0 HG23 ILE A 966 32.387 -18.501 1.892 1.00 1.00 H new ATOM 0 HD11 ILE A 966 29.445 -16.608 4.301 1.00 1.00 H new ATOM 0 HD12 ILE A 966 28.545 -17.725 3.248 1.00 1.00 H new ATOM 0 HD13 ILE A 966 30.097 -18.228 3.959 1.00 1.00 H new ATOM 155 N TRP A 967 33.307 -17.616 -0.269 1.00 1.00 N ATOM 156 CA TRP A 967 34.693 -17.172 -0.136 1.00 1.00 C ATOM 157 C TRP A 967 34.910 -15.888 -0.929 1.00 1.00 C ATOM 158 O TRP A 967 35.595 -14.973 -0.472 1.00 1.00 O ATOM 159 CB TRP A 967 35.663 -18.248 -0.635 1.00 1.00 C ATOM 160 CG TRP A 967 35.714 -19.379 0.342 1.00 1.00 C ATOM 161 CD1 TRP A 967 35.222 -20.617 0.122 1.00 1.00 C ATOM 162 CD2 TRP A 967 36.275 -19.393 1.687 1.00 1.00 C ATOM 163 NE1 TRP A 967 35.449 -21.395 1.245 1.00 1.00 N ATOM 164 CE2 TRP A 967 36.094 -20.684 2.237 1.00 1.00 C ATOM 165 CE3 TRP A 967 36.919 -18.422 2.475 1.00 1.00 C ATOM 166 CZ2 TRP A 967 36.535 -21.001 3.523 1.00 1.00 C ATOM 167 CZ3 TRP A 967 37.364 -18.737 3.770 1.00 1.00 C ATOM 168 CH2 TRP A 967 37.172 -20.024 4.292 1.00 1.00 C ATOM 0 H TRP A 967 33.183 -18.551 -0.658 1.00 1.00 H new ATOM 0 HA TRP A 967 34.888 -16.987 0.920 1.00 1.00 H new ATOM 0 HB2 TRP A 967 35.344 -18.613 -1.611 1.00 1.00 H new ATOM 0 HB3 TRP A 967 36.658 -17.822 -0.764 1.00 1.00 H new ATOM 0 HD1 TRP A 967 34.732 -20.947 -0.782 1.00 1.00 H new ATOM 0 HE1 TRP A 967 35.173 -22.373 1.329 1.00 1.00 H new ATOM 0 HE3 TRP A 967 37.072 -17.428 2.082 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 36.385 -21.994 3.920 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 37.857 -17.984 4.367 1.00 1.00 H new ATOM 0 HH2 TRP A 967 37.516 -20.260 5.288 1.00 1.00 H new ATOM 179 N TRP A 968 34.311 -15.818 -2.113 1.00 1.00 N ATOM 180 CA TRP A 968 34.438 -14.631 -2.952 1.00 1.00 C ATOM 181 C TRP A 968 33.819 -13.418 -2.263 1.00 1.00 C ATOM 182 O TRP A 968 34.341 -12.308 -2.349 1.00 1.00 O ATOM 183 CB TRP A 968 33.769 -14.872 -4.304 1.00 1.00 C ATOM 184 CG TRP A 968 34.584 -15.854 -5.083 1.00 1.00 C ATOM 185 CD1 TRP A 968 34.287 -17.165 -5.235 1.00 1.00 C ATOM 186 CD2 TRP A 968 35.826 -15.631 -5.813 1.00 1.00 C ATOM 187 NE1 TRP A 968 35.263 -17.758 -6.013 1.00 1.00 N ATOM 188 CE2 TRP A 968 36.234 -16.854 -6.394 1.00 1.00 C ATOM 189 CE3 TRP A 968 36.627 -14.496 -6.025 1.00 1.00 C ATOM 190 CZ2 TRP A 968 37.397 -16.949 -7.160 1.00 1.00 C ATOM 191 CZ3 TRP A 968 37.798 -14.587 -6.795 1.00 1.00 C ATOM 192 CH2 TRP A 968 38.182 -15.811 -7.361 1.00 1.00 C ATOM 0 H TRP A 968 33.738 -16.562 -2.511 1.00 1.00 H new ATOM 0 HA TRP A 968 35.497 -14.430 -3.113 1.00 1.00 H new ATOM 0 HB2 TRP A 968 32.757 -15.252 -4.161 1.00 1.00 H new ATOM 0 HB3 TRP A 968 33.683 -13.935 -4.854 1.00 1.00 H new ATOM 0 HD1 TRP A 968 33.427 -17.667 -4.816 1.00 1.00 H new ATOM 0 HE1 TRP A 968 35.266 -18.744 -6.274 1.00 1.00 H new ATOM 0 HE3 TRP A 968 36.340 -13.548 -5.593 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 37.688 -17.894 -7.594 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 38.407 -13.709 -6.952 1.00 1.00 H new ATOM 0 HH2 TRP A 968 39.084 -15.874 -7.952 1.00 1.00 H new ATOM 203 N VAL A 969 32.704 -13.642 -1.574 1.00 1.00 N ATOM 204 CA VAL A 969 32.020 -12.564 -0.867 1.00 1.00 C ATOM 205 C VAL A 969 32.920 -11.997 0.226 1.00 1.00 C ATOM 206 O VAL A 969 33.027 -10.782 0.389 1.00 1.00 O ATOM 207 CB VAL A 969 30.723 -13.083 -0.244 1.00 1.00 C ATOM 208 CG1 VAL A 969 30.125 -12.006 0.661 1.00 1.00 C ATOM 209 CG2 VAL A 969 29.728 -13.425 -1.355 1.00 1.00 C ATOM 0 H VAL A 969 32.257 -14.555 -1.490 1.00 1.00 H new ATOM 0 HA VAL A 969 31.784 -11.775 -1.581 1.00 1.00 H new ATOM 0 HB VAL A 969 30.934 -13.976 0.345 1.00 1.00 H new ATOM 0 HG11 VAL A 969 29.201 -12.376 1.105 1.00 1.00 H new ATOM 0 HG12 VAL A 969 30.834 -11.760 1.451 1.00 1.00 H new ATOM 0 HG13 VAL A 969 29.913 -11.113 0.073 1.00 1.00 H new ATOM 0 HG21 VAL A 969 28.803 -13.795 -0.913 1.00 1.00 H new ATOM 0 HG22 VAL A 969 29.518 -12.531 -1.943 1.00 1.00 H new ATOM 0 HG23 VAL A 969 30.154 -14.192 -2.001 1.00 1.00 H new ATOM 219 N LEU A 970 33.564 -12.887 0.969 1.00 1.00 N ATOM 220 CA LEU A 970 34.456 -12.473 2.045 1.00 1.00 C ATOM 221 C LEU A 970 35.614 -11.657 1.479 1.00 1.00 C ATOM 222 O LEU A 970 36.016 -10.645 2.056 1.00 1.00 O ATOM 223 CB LEU A 970 34.995 -13.708 2.780 1.00 1.00 C ATOM 224 CG LEU A 970 35.951 -13.292 3.906 1.00 1.00 C ATOM 225 CD1 LEU A 970 35.233 -12.361 4.887 1.00 1.00 C ATOM 226 CD2 LEU A 970 36.423 -14.542 4.653 1.00 1.00 C ATOM 0 H LEU A 970 33.486 -13.897 0.848 1.00 1.00 H new ATOM 0 HA LEU A 970 33.899 -11.855 2.749 1.00 1.00 H new ATOM 0 HB2 LEU A 970 34.166 -14.283 3.193 1.00 1.00 H new ATOM 0 HB3 LEU A 970 35.514 -14.359 2.076 1.00 1.00 H new ATOM 0 HG LEU A 970 36.805 -12.769 3.476 1.00 1.00 H new ATOM 0 HD11 LEU A 970 35.920 -12.071 5.682 1.00 1.00 H new ATOM 0 HD12 LEU A 970 34.892 -11.470 4.360 1.00 1.00 H new ATOM 0 HD13 LEU A 970 34.376 -12.878 5.318 1.00 1.00 H new ATOM 0 HD21 LEU A 970 37.103 -14.252 5.454 1.00 1.00 H new ATOM 0 HD22 LEU A 970 35.562 -15.059 5.077 1.00 1.00 H new ATOM 0 HD23 LEU A 970 36.941 -15.206 3.961 1.00 1.00 H new ATOM 238 N VAL A 971 36.148 -12.104 0.348 1.00 1.00 N ATOM 239 CA VAL A 971 37.262 -11.412 -0.290 1.00 1.00 C ATOM 240 C VAL A 971 36.857 -9.996 -0.693 1.00 1.00 C ATOM 241 O VAL A 971 37.602 -9.042 -0.470 1.00 1.00 O ATOM 242 CB VAL A 971 37.716 -12.184 -1.528 1.00 1.00 C ATOM 243 CG1 VAL A 971 38.740 -11.351 -2.302 1.00 1.00 C ATOM 244 CG2 VAL A 971 38.357 -13.506 -1.096 1.00 1.00 C ATOM 0 H VAL A 971 35.829 -12.939 -0.144 1.00 1.00 H new ATOM 0 HA VAL A 971 38.083 -11.353 0.424 1.00 1.00 H new ATOM 0 HB VAL A 971 36.856 -12.387 -2.166 1.00 1.00 H new ATOM 0 HG11 VAL A 971 39.064 -11.902 -3.185 1.00 1.00 H new ATOM 0 HG12 VAL A 971 38.286 -10.409 -2.608 1.00 1.00 H new ATOM 0 HG13 VAL A 971 39.601 -11.149 -1.665 1.00 1.00 H new ATOM 0 HG21 VAL A 971 38.682 -14.058 -1.978 1.00 1.00 H new ATOM 0 HG22 VAL A 971 39.217 -13.302 -0.459 1.00 1.00 H new ATOM 0 HG23 VAL A 971 37.629 -14.100 -0.544 1.00 1.00 H new ATOM 254 N GLY A 972 35.675 -9.863 -1.289 1.00 1.00 N ATOM 255 CA GLY A 972 35.192 -8.553 -1.716 1.00 1.00 C ATOM 256 C GLY A 972 35.043 -7.617 -0.521 1.00 1.00 C ATOM 257 O GLY A 972 35.376 -6.435 -0.599 1.00 1.00 O ATOM 0 H GLY A 972 35.040 -10.637 -1.486 1.00 1.00 H new ATOM 0 HA2 GLY A 972 35.886 -8.122 -2.438 1.00 1.00 H new ATOM 0 HA3 GLY A 972 34.232 -8.661 -2.222 1.00 1.00 H new ATOM 261 N VAL A 973 34.557 -8.158 0.589 1.00 1.00 N ATOM 262 CA VAL A 973 34.386 -7.368 1.802 1.00 1.00 C ATOM 263 C VAL A 973 35.741 -6.874 2.302 1.00 1.00 C ATOM 264 O VAL A 973 35.892 -5.710 2.679 1.00 1.00 O ATOM 265 CB VAL A 973 33.709 -8.210 2.886 1.00 1.00 C ATOM 266 CG1 VAL A 973 33.771 -7.467 4.222 1.00 1.00 C ATOM 267 CG2 VAL A 973 32.244 -8.452 2.512 1.00 1.00 C ATOM 0 H VAL A 973 34.276 -9.135 0.675 1.00 1.00 H new ATOM 0 HA VAL A 973 33.756 -6.508 1.574 1.00 1.00 H new ATOM 0 HB VAL A 973 34.225 -9.166 2.972 1.00 1.00 H new ATOM 0 HG11 VAL A 973 33.289 -8.066 4.994 1.00 1.00 H new ATOM 0 HG12 VAL A 973 34.812 -7.294 4.494 1.00 1.00 H new ATOM 0 HG13 VAL A 973 33.256 -6.511 4.131 1.00 1.00 H new ATOM 0 HG21 VAL A 973 31.765 -9.052 3.286 1.00 1.00 H new ATOM 0 HG22 VAL A 973 31.728 -7.496 2.423 1.00 1.00 H new ATOM 0 HG23 VAL A 973 32.194 -8.981 1.560 1.00 1.00 H new ATOM 277 N LEU A 974 36.725 -7.766 2.299 1.00 1.00 N ATOM 278 CA LEU A 974 38.061 -7.407 2.751 1.00 1.00 C ATOM 279 C LEU A 974 38.631 -6.307 1.864 1.00 1.00 C ATOM 280 O LEU A 974 39.229 -5.353 2.355 1.00 1.00 O ATOM 281 CB LEU A 974 38.977 -8.639 2.715 1.00 1.00 C ATOM 282 CG LEU A 974 40.396 -8.268 3.172 1.00 1.00 C ATOM 283 CD1 LEU A 974 40.353 -7.667 4.580 1.00 1.00 C ATOM 284 CD2 LEU A 974 41.264 -9.527 3.187 1.00 1.00 C ATOM 0 H LEU A 974 36.624 -8.733 1.992 1.00 1.00 H new ATOM 0 HA LEU A 974 38.002 -7.041 3.776 1.00 1.00 H new ATOM 0 HB2 LEU A 974 38.573 -9.419 3.361 1.00 1.00 H new ATOM 0 HB3 LEU A 974 39.009 -9.046 1.704 1.00 1.00 H new ATOM 0 HG LEU A 974 40.815 -7.535 2.483 1.00 1.00 H new ATOM 0 HD11 LEU A 974 41.363 -7.407 4.896 1.00 1.00 H new ATOM 0 HD12 LEU A 974 39.733 -6.771 4.574 1.00 1.00 H new ATOM 0 HD13 LEU A 974 39.932 -8.395 5.274 1.00 1.00 H new ATOM 0 HD21 LEU A 974 42.273 -9.270 3.511 1.00 1.00 H new ATOM 0 HD22 LEU A 974 40.837 -10.255 3.876 1.00 1.00 H new ATOM 0 HD23 LEU A 974 41.302 -9.954 2.185 1.00 1.00 H new ATOM 296 N GLY A 975 38.430 -6.439 0.555 1.00 1.00 N ATOM 297 CA GLY A 975 38.921 -5.441 -0.391 1.00 1.00 C ATOM 298 C GLY A 975 38.246 -4.094 -0.143 1.00 1.00 C ATOM 299 O GLY A 975 38.854 -3.035 -0.315 1.00 1.00 O ATOM 0 H GLY A 975 37.934 -7.221 0.128 1.00 1.00 H new ATOM 0 HA2 GLY A 975 40.001 -5.337 -0.291 1.00 1.00 H new ATOM 0 HA3 GLY A 975 38.725 -5.771 -1.411 1.00 1.00 H new ATOM 303 N GLY A 976 36.984 -4.145 0.266 1.00 1.00 N ATOM 304 CA GLY A 976 36.229 -2.932 0.543 1.00 1.00 C ATOM 305 C GLY A 976 36.875 -2.150 1.680 1.00 1.00 C ATOM 306 O GLY A 976 36.867 -0.920 1.684 1.00 1.00 O ATOM 0 H GLY A 976 36.465 -5.011 0.412 1.00 1.00 H new ATOM 0 HA2 GLY A 976 36.183 -2.312 -0.353 1.00 1.00 H new ATOM 0 HA3 GLY A 976 35.203 -3.187 0.806 1.00 1.00 H new ATOM 310 N LEU A 977 37.440 -2.877 2.637 1.00 1.00 N ATOM 311 CA LEU A 977 38.101 -2.249 3.780 1.00 1.00 C ATOM 312 C LEU A 977 39.281 -1.403 3.306 1.00 1.00 C ATOM 313 O LEU A 977 39.516 -0.306 3.814 1.00 1.00 O ATOM 314 CB LEU A 977 38.587 -3.323 4.765 1.00 1.00 C ATOM 315 CG LEU A 977 39.294 -2.672 5.962 1.00 1.00 C ATOM 316 CD1 LEU A 977 38.345 -1.705 6.674 1.00 1.00 C ATOM 317 CD2 LEU A 977 39.731 -3.761 6.945 1.00 1.00 C ATOM 0 H LEU A 977 37.455 -3.897 2.647 1.00 1.00 H new ATOM 0 HA LEU A 977 37.385 -1.603 4.287 1.00 1.00 H new ATOM 0 HB2 LEU A 977 37.741 -3.916 5.113 1.00 1.00 H new ATOM 0 HB3 LEU A 977 39.269 -4.007 4.260 1.00 1.00 H new ATOM 0 HG LEU A 977 40.164 -2.121 5.604 1.00 1.00 H new ATOM 0 HD11 LEU A 977 38.858 -1.250 7.521 1.00 1.00 H new ATOM 0 HD12 LEU A 977 38.030 -0.926 5.979 1.00 1.00 H new ATOM 0 HD13 LEU A 977 37.470 -2.249 7.029 1.00 1.00 H new ATOM 0 HD21 LEU A 977 40.234 -3.302 7.796 1.00 1.00 H new ATOM 0 HD22 LEU A 977 38.856 -4.310 7.293 1.00 1.00 H new ATOM 0 HD23 LEU A 977 40.415 -4.448 6.447 1.00 1.00 H new ATOM 329 N LEU A 978 40.020 -1.921 2.335 1.00 1.00 N ATOM 330 CA LEU A 978 41.174 -1.209 1.799 1.00 1.00 C ATOM 331 C LEU A 978 40.755 0.113 1.162 1.00 1.00 C ATOM 332 O LEU A 978 41.456 1.117 1.289 1.00 1.00 O ATOM 333 CB LEU A 978 41.901 -2.066 0.760 1.00 1.00 C ATOM 334 CG LEU A 978 42.864 -3.033 1.461 1.00 1.00 C ATOM 335 CD1 LEU A 978 42.072 -4.004 2.333 1.00 1.00 C ATOM 336 CD2 LEU A 978 43.647 -3.824 0.412 1.00 1.00 C ATOM 0 H LEU A 978 39.843 -2.828 1.903 1.00 1.00 H new ATOM 0 HA LEU A 978 41.848 -1.001 2.630 1.00 1.00 H new ATOM 0 HB2 LEU A 978 41.178 -2.626 0.167 1.00 1.00 H new ATOM 0 HB3 LEU A 978 42.452 -1.427 0.070 1.00 1.00 H new ATOM 0 HG LEU A 978 43.555 -2.464 2.083 1.00 1.00 H new ATOM 0 HD11 LEU A 978 42.758 -4.690 2.830 1.00 1.00 H new ATOM 0 HD12 LEU A 978 41.511 -3.446 3.082 1.00 1.00 H new ATOM 0 HD13 LEU A 978 41.380 -4.571 1.710 1.00 1.00 H new ATOM 0 HD21 LEU A 978 44.331 -4.511 0.910 1.00 1.00 H new ATOM 0 HD22 LEU A 978 42.953 -4.390 -0.210 1.00 1.00 H new ATOM 0 HD23 LEU A 978 44.216 -3.136 -0.213 1.00 1.00 H new ATOM 348 N LEU A 979 39.625 0.107 0.458 1.00 1.00 N ATOM 349 CA LEU A 979 39.154 1.319 -0.211 1.00 1.00 C ATOM 350 C LEU A 979 38.883 2.430 0.799 1.00 1.00 C ATOM 351 O LEU A 979 39.272 3.574 0.585 1.00 1.00 O ATOM 352 CB LEU A 979 37.852 1.023 -0.956 1.00 1.00 C ATOM 353 CG LEU A 979 38.125 0.112 -2.157 1.00 1.00 C ATOM 354 CD1 LEU A 979 36.794 -0.356 -2.749 1.00 1.00 C ATOM 355 CD2 LEU A 979 38.923 0.866 -3.229 1.00 1.00 C ATOM 0 H LEU A 979 39.026 -0.710 0.336 1.00 1.00 H new ATOM 0 HA LEU A 979 39.930 1.642 -0.905 1.00 1.00 H new ATOM 0 HB2 LEU A 979 37.140 0.546 -0.283 1.00 1.00 H new ATOM 0 HB3 LEU A 979 37.397 1.955 -1.293 1.00 1.00 H new ATOM 0 HG LEU A 979 38.707 -0.748 -1.825 1.00 1.00 H new ATOM 0 HD11 LEU A 979 36.984 -1.005 -3.604 1.00 1.00 H new ATOM 0 HD12 LEU A 979 36.233 -0.906 -1.994 1.00 1.00 H new ATOM 0 HD13 LEU A 979 36.215 0.509 -3.072 1.00 1.00 H new ATOM 0 HD21 LEU A 979 39.109 0.205 -4.076 1.00 1.00 H new ATOM 0 HD22 LEU A 979 38.354 1.733 -3.563 1.00 1.00 H new ATOM 0 HD23 LEU A 979 39.874 1.196 -2.810 1.00 1.00 H new ATOM 367 N LEU A 980 38.240 2.090 1.905 1.00 1.00 N ATOM 368 CA LEU A 980 37.968 3.085 2.937 1.00 1.00 C ATOM 369 C LEU A 980 39.271 3.600 3.551 1.00 1.00 C ATOM 370 O LEU A 980 39.402 4.788 3.856 1.00 1.00 O ATOM 371 CB LEU A 980 37.062 2.505 4.033 1.00 1.00 C ATOM 372 CG LEU A 980 35.582 2.620 3.625 1.00 1.00 C ATOM 373 CD1 LEU A 980 35.123 4.085 3.689 1.00 1.00 C ATOM 374 CD2 LEU A 980 35.387 2.091 2.204 1.00 1.00 C ATOM 0 H LEU A 980 37.901 1.151 2.112 1.00 1.00 H new ATOM 0 HA LEU A 980 37.450 3.920 2.466 1.00 1.00 H new ATOM 0 HB2 LEU A 980 37.317 1.460 4.209 1.00 1.00 H new ATOM 0 HB3 LEU A 980 37.229 3.036 4.970 1.00 1.00 H new ATOM 0 HG LEU A 980 34.986 2.027 4.319 1.00 1.00 H new ATOM 0 HD11 LEU A 980 34.075 4.151 3.398 1.00 1.00 H new ATOM 0 HD12 LEU A 980 35.241 4.459 4.706 1.00 1.00 H new ATOM 0 HD13 LEU A 980 35.727 4.686 3.009 1.00 1.00 H new ATOM 0 HD21 LEU A 980 34.337 2.177 1.925 1.00 1.00 H new ATOM 0 HD22 LEU A 980 35.995 2.674 1.512 1.00 1.00 H new ATOM 0 HD23 LEU A 980 35.690 1.045 2.160 1.00 1.00 H new ATOM 386 N THR A 981 40.221 2.696 3.760 1.00 1.00 N ATOM 387 CA THR A 981 41.490 3.073 4.384 1.00 1.00 C ATOM 388 C THR A 981 42.248 4.099 3.529 1.00 1.00 C ATOM 389 O THR A 981 42.781 5.076 4.057 1.00 1.00 O ATOM 390 CB THR A 981 42.367 1.834 4.583 1.00 1.00 C ATOM 391 OG1 THR A 981 41.688 0.920 5.431 1.00 1.00 O ATOM 392 CG2 THR A 981 43.681 2.248 5.264 1.00 1.00 C ATOM 0 H THR A 981 40.142 1.710 3.512 1.00 1.00 H new ATOM 0 HA THR A 981 41.264 3.525 5.350 1.00 1.00 H new ATOM 0 HB THR A 981 42.575 1.373 3.618 1.00 1.00 H new ATOM 0 HG1 THR A 981 40.959 0.493 4.935 1.00 1.00 H new ATOM 0 HG21 THR A 981 44.309 1.369 5.408 1.00 1.00 H new ATOM 0 HG22 THR A 981 44.205 2.969 4.636 1.00 1.00 H new ATOM 0 HG23 THR A 981 43.463 2.700 6.231 1.00 1.00 H new ATOM 400 N ILE A 982 42.315 3.875 2.215 1.00 1.00 N ATOM 401 CA ILE A 982 43.034 4.803 1.338 1.00 1.00 C ATOM 402 C ILE A 982 42.381 6.187 1.347 1.00 1.00 C ATOM 403 O ILE A 982 43.070 7.202 1.456 1.00 1.00 O ATOM 404 CB ILE A 982 43.045 4.258 -0.092 1.00 1.00 C ATOM 405 CG1 ILE A 982 43.902 2.991 -0.157 1.00 1.00 C ATOM 406 CG2 ILE A 982 43.635 5.310 -1.029 1.00 1.00 C ATOM 407 CD1 ILE A 982 43.697 2.296 -1.510 1.00 1.00 C ATOM 0 H ILE A 982 41.890 3.077 1.742 1.00 1.00 H new ATOM 0 HA ILE A 982 44.055 4.898 1.708 1.00 1.00 H new ATOM 0 HB ILE A 982 42.025 4.022 -0.395 1.00 1.00 H new ATOM 0 HG12 ILE A 982 44.954 3.245 -0.023 1.00 1.00 H new ATOM 0 HG13 ILE A 982 43.631 2.315 0.654 1.00 1.00 H new ATOM 0 HG21 ILE A 982 43.644 4.925 -2.049 1.00 1.00 H new ATOM 0 HG22 ILE A 982 43.028 6.215 -0.988 1.00 1.00 H new ATOM 0 HG23 ILE A 982 44.654 5.542 -0.720 1.00 1.00 H new ATOM 0 HD11 ILE A 982 44.309 1.395 -1.552 1.00 1.00 H new ATOM 0 HD12 ILE A 982 42.647 2.028 -1.626 1.00 1.00 H new ATOM 0 HD13 ILE A 982 43.990 2.971 -2.314 1.00 1.00 H new ATOM 419 N LEU A 983 41.055 6.222 1.256 1.00 1.00 N ATOM 420 CA LEU A 983 40.332 7.489 1.278 1.00 1.00 C ATOM 421 C LEU A 983 40.521 8.184 2.622 1.00 1.00 C ATOM 422 O LEU A 983 40.710 9.397 2.681 1.00 1.00 O ATOM 423 CB LEU A 983 38.836 7.267 1.009 1.00 1.00 C ATOM 424 CG LEU A 983 38.546 7.189 -0.503 1.00 1.00 C ATOM 425 CD1 LEU A 983 38.562 8.597 -1.113 1.00 1.00 C ATOM 426 CD2 LEU A 983 39.589 6.319 -1.220 1.00 1.00 C ATOM 0 H LEU A 983 40.464 5.396 1.167 1.00 1.00 H new ATOM 0 HA LEU A 983 40.736 8.124 0.490 1.00 1.00 H new ATOM 0 HB2 LEU A 983 38.510 6.346 1.492 1.00 1.00 H new ATOM 0 HB3 LEU A 983 38.260 8.080 1.451 1.00 1.00 H new ATOM 0 HG LEU A 983 37.562 6.739 -0.634 1.00 1.00 H new ATOM 0 HD11 LEU A 983 38.356 8.533 -2.181 1.00 1.00 H new ATOM 0 HD12 LEU A 983 37.800 9.210 -0.633 1.00 1.00 H new ATOM 0 HD13 LEU A 983 39.542 9.049 -0.959 1.00 1.00 H new ATOM 0 HD21 LEU A 983 39.361 6.281 -2.285 1.00 1.00 H new ATOM 0 HD22 LEU A 983 40.581 6.748 -1.077 1.00 1.00 H new ATOM 0 HD23 LEU A 983 39.567 5.310 -0.808 1.00 1.00 H new ATOM 438 N VAL A 984 40.465 7.406 3.698 1.00 1.00 N ATOM 439 CA VAL A 984 40.625 7.960 5.038 1.00 1.00 C ATOM 440 C VAL A 984 42.011 8.578 5.210 1.00 1.00 C ATOM 441 O VAL A 984 42.147 9.672 5.758 1.00 1.00 O ATOM 442 CB VAL A 984 40.418 6.865 6.090 1.00 1.00 C ATOM 443 CG1 VAL A 984 40.782 7.403 7.477 1.00 1.00 C ATOM 444 CG2 VAL A 984 38.952 6.429 6.086 1.00 1.00 C ATOM 0 H VAL A 984 40.311 6.398 3.670 1.00 1.00 H new ATOM 0 HA VAL A 984 39.876 8.740 5.173 1.00 1.00 H new ATOM 0 HB VAL A 984 41.057 6.014 5.854 1.00 1.00 H new ATOM 0 HG11 VAL A 984 40.633 6.621 8.221 1.00 1.00 H new ATOM 0 HG12 VAL A 984 41.826 7.716 7.483 1.00 1.00 H new ATOM 0 HG13 VAL A 984 40.146 8.256 7.715 1.00 1.00 H new ATOM 0 HG21 VAL A 984 38.802 5.650 6.834 1.00 1.00 H new ATOM 0 HG22 VAL A 984 38.318 7.284 6.320 1.00 1.00 H new ATOM 0 HG23 VAL A 984 38.690 6.042 5.101 1.00 1.00 H new ATOM 454 N LEU A 985 43.035 7.871 4.748 1.00 1.00 N ATOM 455 CA LEU A 985 44.408 8.355 4.876 1.00 1.00 C ATOM 456 C LEU A 985 44.597 9.678 4.131 1.00 1.00 C ATOM 457 O LEU A 985 45.250 10.589 4.636 1.00 1.00 O ATOM 458 CB LEU A 985 45.376 7.301 4.313 1.00 1.00 C ATOM 459 CG LEU A 985 46.830 7.787 4.418 1.00 1.00 C ATOM 460 CD1 LEU A 985 47.173 8.101 5.875 1.00 1.00 C ATOM 461 CD2 LEU A 985 47.768 6.690 3.903 1.00 1.00 C ATOM 0 H LEU A 985 42.944 6.967 4.284 1.00 1.00 H new ATOM 0 HA LEU A 985 44.617 8.526 5.932 1.00 1.00 H new ATOM 0 HB2 LEU A 985 45.260 6.365 4.859 1.00 1.00 H new ATOM 0 HB3 LEU A 985 45.131 7.095 3.271 1.00 1.00 H new ATOM 0 HG LEU A 985 46.950 8.690 3.819 1.00 1.00 H new ATOM 0 HD11 LEU A 985 48.205 8.445 5.940 1.00 1.00 H new ATOM 0 HD12 LEU A 985 46.507 8.880 6.246 1.00 1.00 H new ATOM 0 HD13 LEU A 985 47.051 7.202 6.479 1.00 1.00 H new ATOM 0 HD21 LEU A 985 48.801 7.031 3.976 1.00 1.00 H new ATOM 0 HD22 LEU A 985 47.640 5.790 4.504 1.00 1.00 H new ATOM 0 HD23 LEU A 985 47.532 6.468 2.862 1.00 1.00 H new ATOM 473 N ALA A 986 44.043 9.779 2.931 1.00 1.00 N ATOM 474 CA ALA A 986 44.184 11.003 2.147 1.00 1.00 C ATOM 475 C ALA A 986 43.542 12.195 2.854 1.00 1.00 C ATOM 476 O ALA A 986 44.126 13.279 2.916 1.00 1.00 O ATOM 477 CB ALA A 986 43.534 10.815 0.776 1.00 1.00 C ATOM 0 H ALA A 986 43.499 9.042 2.482 1.00 1.00 H new ATOM 0 HA ALA A 986 45.248 11.207 2.031 1.00 1.00 H new ATOM 0 HB1 ALA A 986 43.641 11.730 0.194 1.00 1.00 H new ATOM 0 HB2 ALA A 986 44.021 9.993 0.252 1.00 1.00 H new ATOM 0 HB3 ALA A 986 42.476 10.588 0.903 1.00 1.00 H new ATOM 483 N MET A 987 42.346 11.991 3.394 1.00 1.00 N ATOM 484 CA MET A 987 41.654 13.063 4.101 1.00 1.00 C ATOM 485 C MET A 987 42.430 13.459 5.352 1.00 1.00 C ATOM 486 O MET A 987 42.572 14.643 5.659 1.00 1.00 O ATOM 487 CB MET A 987 40.240 12.607 4.473 1.00 1.00 C ATOM 488 CG MET A 987 39.445 12.307 3.192 1.00 1.00 C ATOM 489 SD MET A 987 39.216 13.824 2.222 1.00 1.00 S ATOM 490 CE MET A 987 37.841 14.521 3.171 1.00 1.00 C ATOM 0 H MET A 987 41.840 11.106 3.357 1.00 1.00 H new ATOM 0 HA MET A 987 41.586 13.934 3.449 1.00 1.00 H new ATOM 0 HB2 MET A 987 40.287 11.718 5.102 1.00 1.00 H new ATOM 0 HB3 MET A 987 39.737 13.381 5.053 1.00 1.00 H new ATOM 0 HG2 MET A 987 39.971 11.562 2.595 1.00 1.00 H new ATOM 0 HG3 MET A 987 38.475 11.882 3.449 1.00 1.00 H new ATOM 0 HE1 MET A 987 37.359 15.307 2.589 1.00 1.00 H new ATOM 0 HE2 MET A 987 37.117 13.737 3.392 1.00 1.00 H new ATOM 0 HE3 MET A 987 38.218 14.940 4.104 1.00 1.00 H new ATOM 500 N TRP A 988 42.942 12.457 6.059 1.00 1.00 N ATOM 501 CA TRP A 988 43.724 12.698 7.267 1.00 1.00 C ATOM 502 C TRP A 988 44.992 13.476 6.923 1.00 1.00 C ATOM 503 O TRP A 988 45.415 14.366 7.659 1.00 1.00 O ATOM 504 CB TRP A 988 44.091 11.367 7.933 1.00 1.00 C ATOM 505 CG TRP A 988 45.122 11.587 9.002 1.00 1.00 C ATOM 506 CD1 TRP A 988 45.242 12.702 9.765 1.00 1.00 C ATOM 507 CD2 TRP A 988 46.180 10.683 9.438 1.00 1.00 C ATOM 508 NE1 TRP A 988 46.305 12.537 10.636 1.00 1.00 N ATOM 509 CE2 TRP A 988 46.916 11.310 10.473 1.00 1.00 C ATOM 510 CE3 TRP A 988 46.570 9.391 9.039 1.00 1.00 C ATOM 511 CZ2 TRP A 988 48.000 10.678 11.087 1.00 1.00 C ATOM 512 CZ3 TRP A 988 47.659 8.753 9.655 1.00 1.00 C ATOM 513 CH2 TRP A 988 48.373 9.395 10.676 1.00 1.00 C ATOM 0 H TRP A 988 42.830 11.472 5.817 1.00 1.00 H new ATOM 0 HA TRP A 988 43.125 13.286 7.962 1.00 1.00 H new ATOM 0 HB2 TRP A 988 43.200 10.911 8.365 1.00 1.00 H new ATOM 0 HB3 TRP A 988 44.474 10.672 7.186 1.00 1.00 H new ATOM 0 HD1 TRP A 988 44.611 13.576 9.703 1.00 1.00 H new ATOM 0 HE1 TRP A 988 46.601 13.237 11.316 1.00 1.00 H new ATOM 0 HE3 TRP A 988 46.028 8.886 8.253 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 48.546 11.177 11.874 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 47.948 7.761 9.340 1.00 1.00 H new ATOM 0 HH2 TRP A 988 49.210 8.899 11.145 1.00 1.00 H new ATOM 524 N LYS A 989 45.590 13.120 5.792 1.00 1.00 N ATOM 525 CA LYS A 989 46.817 13.759 5.329 1.00 1.00 C ATOM 526 C LYS A 989 46.599 15.256 5.118 1.00 1.00 C ATOM 527 O LYS A 989 47.507 16.057 5.332 1.00 1.00 O ATOM 528 CB LYS A 989 47.257 13.120 4.002 1.00 1.00 C ATOM 529 CG LYS A 989 48.511 12.236 4.184 1.00 1.00 C ATOM 530 CD LYS A 989 49.806 13.044 3.960 1.00 1.00 C ATOM 531 CE LYS A 989 50.120 13.907 5.185 1.00 1.00 C ATOM 532 NZ LYS A 989 51.508 14.441 5.070 1.00 1.00 N ATOM 0 H LYS A 989 45.242 12.387 5.174 1.00 1.00 H new ATOM 0 HA LYS A 989 47.589 13.619 6.086 1.00 1.00 H new ATOM 0 HB2 LYS A 989 46.442 12.518 3.600 1.00 1.00 H new ATOM 0 HB3 LYS A 989 47.466 13.902 3.272 1.00 1.00 H new ATOM 0 HG2 LYS A 989 48.515 11.810 5.187 1.00 1.00 H new ATOM 0 HG3 LYS A 989 48.475 11.402 3.483 1.00 1.00 H new ATOM 0 HD2 LYS A 989 50.636 12.365 3.764 1.00 1.00 H new ATOM 0 HD3 LYS A 989 49.698 13.678 3.080 1.00 1.00 H new ATOM 0 HE2 LYS A 989 49.407 14.728 5.258 1.00 1.00 H new ATOM 0 HE3 LYS A 989 50.020 13.316 6.096 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 51.724 15.028 5.901 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 52.181 13.650 5.020 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 51.588 15.018 4.209 1.00 1.00 H new ATOM 546 N VAL A 990 45.398 15.634 4.693 1.00 1.00 N ATOM 547 CA VAL A 990 45.104 17.042 4.457 1.00 1.00 C ATOM 548 C VAL A 990 44.641 17.705 5.749 1.00 1.00 C ATOM 549 O VAL A 990 44.645 18.931 5.869 1.00 1.00 O ATOM 550 CB VAL A 990 44.016 17.180 3.392 1.00 1.00 C ATOM 551 CG1 VAL A 990 43.591 18.644 3.281 1.00 1.00 C ATOM 552 CG2 VAL A 990 44.560 16.704 2.042 1.00 1.00 C ATOM 0 H VAL A 990 44.624 14.996 4.507 1.00 1.00 H new ATOM 0 HA VAL A 990 46.012 17.534 4.108 1.00 1.00 H new ATOM 0 HB VAL A 990 43.156 16.573 3.673 1.00 1.00 H new ATOM 0 HG11 VAL A 990 42.815 18.741 2.521 1.00 1.00 H new ATOM 0 HG12 VAL A 990 43.203 18.984 4.241 1.00 1.00 H new ATOM 0 HG13 VAL A 990 44.451 19.252 3.001 1.00 1.00 H new ATOM 0 HG21 VAL A 990 43.785 16.802 1.282 1.00 1.00 H new ATOM 0 HG22 VAL A 990 45.421 17.311 1.762 1.00 1.00 H new ATOM 0 HG23 VAL A 990 44.862 15.660 2.119 1.00 1.00 H new ATOM 562 N GLY A 991 44.245 16.883 6.715 1.00 1.00 N ATOM 563 CA GLY A 991 43.783 17.391 8.000 1.00 1.00 C ATOM 564 C GLY A 991 42.323 17.806 7.916 1.00 1.00 C ATOM 565 O GLY A 991 41.784 18.425 8.833 1.00 1.00 O ATOM 0 H GLY A 991 44.235 15.866 6.633 1.00 1.00 H new ATOM 0 HA2 GLY A 991 43.906 16.625 8.766 1.00 1.00 H new ATOM 0 HA3 GLY A 991 44.392 18.243 8.301 1.00 1.00 H new ATOM 569 N PHE A 992 41.692 17.458 6.804 1.00 1.00 N ATOM 570 CA PHE A 992 40.291 17.790 6.595 1.00 1.00 C ATOM 571 C PHE A 992 39.451 17.097 7.674 1.00 1.00 C ATOM 572 O PHE A 992 38.539 17.679 8.257 1.00 1.00 O ATOM 573 CB PHE A 992 39.874 17.289 5.204 1.00 1.00 C ATOM 574 CG PHE A 992 38.676 18.039 4.624 1.00 1.00 C ATOM 575 CD1 PHE A 992 37.786 18.785 5.424 1.00 1.00 C ATOM 576 CD2 PHE A 992 38.465 17.978 3.240 1.00 1.00 C ATOM 577 CE1 PHE A 992 36.708 19.455 4.834 1.00 1.00 C ATOM 578 CE2 PHE A 992 37.385 18.649 2.657 1.00 1.00 C ATOM 579 CZ PHE A 992 36.507 19.387 3.454 1.00 1.00 C ATOM 0 H PHE A 992 42.126 16.948 6.035 1.00 1.00 H new ATOM 0 HA PHE A 992 40.137 18.867 6.657 1.00 1.00 H new ATOM 0 HB2 PHE A 992 40.719 17.386 4.522 1.00 1.00 H new ATOM 0 HB3 PHE A 992 39.634 16.227 5.265 1.00 1.00 H new ATOM 0 HD1 PHE A 992 37.936 18.839 6.492 1.00 1.00 H new ATOM 0 HD2 PHE A 992 39.141 17.409 2.619 1.00 1.00 H new ATOM 0 HE1 PHE A 992 36.029 20.027 5.449 1.00 1.00 H new ATOM 0 HE2 PHE A 992 37.230 18.596 1.589 1.00 1.00 H new ATOM 0 HZ PHE A 992 35.673 19.905 3.003 1.00 1.00 H new ATOM 589 N PHE A 993 39.779 15.835 7.937 1.00 1.00 N ATOM 590 CA PHE A 993 39.048 15.062 8.939 1.00 1.00 C ATOM 591 C PHE A 993 39.642 15.227 10.335 1.00 1.00 C ATOM 592 O PHE A 993 39.099 14.701 11.306 1.00 1.00 O ATOM 593 CB PHE A 993 39.037 13.581 8.550 1.00 1.00 C ATOM 594 CG PHE A 993 37.873 13.291 7.618 1.00 1.00 C ATOM 595 CD1 PHE A 993 37.435 14.249 6.688 1.00 1.00 C ATOM 596 CD2 PHE A 993 37.224 12.052 7.697 1.00 1.00 C ATOM 597 CE1 PHE A 993 36.354 13.962 5.845 1.00 1.00 C ATOM 598 CE2 PHE A 993 36.146 11.768 6.851 1.00 1.00 C ATOM 599 CZ PHE A 993 35.711 12.723 5.927 1.00 1.00 C ATOM 0 H PHE A 993 40.537 15.330 7.477 1.00 1.00 H new ATOM 0 HA PHE A 993 38.027 15.444 8.968 1.00 1.00 H new ATOM 0 HB2 PHE A 993 39.976 13.319 8.063 1.00 1.00 H new ATOM 0 HB3 PHE A 993 38.958 12.963 9.445 1.00 1.00 H new ATOM 0 HD1 PHE A 993 37.932 15.206 6.623 1.00 1.00 H new ATOM 0 HD2 PHE A 993 37.556 11.314 8.412 1.00 1.00 H new ATOM 0 HE1 PHE A 993 36.017 14.699 5.131 1.00 1.00 H new ATOM 0 HE2 PHE A 993 35.650 10.811 6.912 1.00 1.00 H new ATOM 0 HZ PHE A 993 34.878 12.504 5.276 1.00 1.00 H new ATOM 609 N LYS A 994 40.742 15.971 10.436 1.00 1.00 N ATOM 610 CA LYS A 994 41.373 16.208 11.733 1.00 1.00 C ATOM 611 C LYS A 994 41.267 17.686 12.097 1.00 1.00 C ATOM 612 O LYS A 994 41.690 18.554 11.335 1.00 1.00 O ATOM 613 CB LYS A 994 42.846 15.792 11.693 1.00 1.00 C ATOM 614 CG LYS A 994 43.464 15.951 13.084 1.00 1.00 C ATOM 615 CD LYS A 994 44.922 15.492 13.050 1.00 1.00 C ATOM 616 CE LYS A 994 45.537 15.642 14.442 1.00 1.00 C ATOM 617 NZ LYS A 994 44.826 14.749 15.399 1.00 1.00 N ATOM 0 H LYS A 994 41.210 16.415 9.646 1.00 1.00 H new ATOM 0 HA LYS A 994 40.859 15.611 12.486 1.00 1.00 H new ATOM 0 HB2 LYS A 994 42.933 14.757 11.362 1.00 1.00 H new ATOM 0 HB3 LYS A 994 43.387 16.404 10.972 1.00 1.00 H new ATOM 0 HG2 LYS A 994 43.407 16.992 13.402 1.00 1.00 H new ATOM 0 HG3 LYS A 994 42.904 15.364 13.812 1.00 1.00 H new ATOM 0 HD2 LYS A 994 44.980 14.453 12.725 1.00 1.00 H new ATOM 0 HD3 LYS A 994 45.484 16.083 12.327 1.00 1.00 H new ATOM 0 HE2 LYS A 994 46.597 15.390 14.412 1.00 1.00 H new ATOM 0 HE3 LYS A 994 45.465 16.678 14.773 1.00 1.00 H new ATOM 0 HZ1 LYS A 994 45.433 14.572 16.225 1.00 1.00 H new ATOM 0 HZ2 LYS A 994 43.944 15.204 15.708 1.00 1.00 H new ATOM 0 HZ3 LYS A 994 44.605 13.846 14.933 1.00 1.00 H new ATOM 631 N ARG A 995 40.706 17.964 13.268 1.00 1.00 N ATOM 632 CA ARG A 995 40.552 19.334 13.724 1.00 1.00 C ATOM 633 C ARG A 995 40.861 19.388 15.209 1.00 1.00 C ATOM 634 O ARG A 995 40.527 18.461 15.947 1.00 1.00 O ATOM 635 CB ARG A 995 39.121 19.819 13.458 1.00 1.00 C ATOM 636 CG ARG A 995 39.008 21.318 13.755 1.00 1.00 C ATOM 637 CD ARG A 995 39.234 22.114 12.468 1.00 1.00 C ATOM 638 NE ARG A 995 38.154 21.863 11.520 1.00 1.00 N ATOM 639 CZ ARG A 995 37.019 22.557 11.570 1.00 1.00 C ATOM 640 NH1 ARG A 995 36.856 23.484 12.477 1.00 1.00 N ATOM 641 NH2 ARG A 995 36.070 22.312 10.709 1.00 1.00 N ATOM 0 H ARG A 995 40.352 17.259 13.915 1.00 1.00 H new ATOM 0 HA ARG A 995 41.238 19.986 13.183 1.00 1.00 H new ATOM 0 HB2 ARG A 995 38.850 19.625 12.420 1.00 1.00 H new ATOM 0 HB3 ARG A 995 38.419 19.263 14.080 1.00 1.00 H new ATOM 0 HG2 ARG A 995 38.024 21.544 14.167 1.00 1.00 H new ATOM 0 HG3 ARG A 995 39.742 21.607 14.507 1.00 1.00 H new ATOM 0 HD2 ARG A 995 39.287 23.179 12.696 1.00 1.00 H new ATOM 0 HD3 ARG A 995 40.189 21.835 12.023 1.00 1.00 H new ATOM 0 HE ARG A 995 38.270 21.143 10.807 1.00 1.00 H new ATOM 0 HH11 ARG A 995 37.599 23.677 13.148 1.00 1.00 H new ATOM 0 HH12 ARG A 995 35.986 24.014 12.513 1.00 1.00 H new ATOM 0 HH21 ARG A 995 36.199 21.590 10.000 1.00 1.00 H new ATOM 0 HH22 ARG A 995 35.199 22.842 10.745 1.00 1.00 H new ATOM 808 N ASP B 692 28.626 -16.336 -12.230 1.00 1.00 N ATOM 809 CA ASP B 692 27.884 -16.100 -11.001 1.00 1.00 C ATOM 810 C ASP B 692 28.810 -15.549 -9.922 1.00 1.00 C ATOM 811 O ASP B 692 28.431 -14.660 -9.161 1.00 1.00 O ATOM 812 CB ASP B 692 27.248 -17.416 -10.513 1.00 1.00 C ATOM 813 CG ASP B 692 25.902 -17.670 -11.198 1.00 1.00 C ATOM 814 OD1 ASP B 692 25.442 -16.801 -11.921 1.00 1.00 O ATOM 815 OD2 ASP B 692 25.344 -18.735 -10.979 1.00 1.00 O ATOM 0 HA ASP B 692 27.099 -15.370 -11.201 1.00 1.00 H new ATOM 0 HB2 ASP B 692 27.924 -18.246 -10.716 1.00 1.00 H new ATOM 0 HB3 ASP B 692 27.107 -17.376 -9.433 1.00 1.00 H new ATOM 820 N ILE B 693 30.029 -16.079 -9.874 1.00 1.00 N ATOM 821 CA ILE B 693 31.013 -15.631 -8.891 1.00 1.00 C ATOM 822 C ILE B 693 31.393 -14.173 -9.136 1.00 1.00 C ATOM 823 O ILE B 693 31.514 -13.383 -8.200 1.00 1.00 O ATOM 824 CB ILE B 693 32.266 -16.506 -8.971 1.00 1.00 C ATOM 825 CG1 ILE B 693 31.938 -17.938 -8.512 1.00 1.00 C ATOM 826 CG2 ILE B 693 33.368 -15.914 -8.094 1.00 1.00 C ATOM 827 CD1 ILE B 693 31.436 -17.962 -7.056 1.00 1.00 C ATOM 0 H ILE B 693 30.358 -16.814 -10.499 1.00 1.00 H new ATOM 0 HA ILE B 693 30.571 -15.717 -7.898 1.00 1.00 H new ATOM 0 HB ILE B 693 32.613 -16.538 -10.004 1.00 1.00 H new ATOM 0 HG12 ILE B 693 31.179 -18.366 -9.167 1.00 1.00 H new ATOM 0 HG13 ILE B 693 32.827 -18.563 -8.602 1.00 1.00 H new ATOM 0 HG21 ILE B 693 34.258 -16.541 -8.155 1.00 1.00 H new ATOM 0 HG22 ILE B 693 33.608 -14.909 -8.440 1.00 1.00 H new ATOM 0 HG23 ILE B 693 33.026 -15.869 -7.060 1.00 1.00 H new ATOM 0 HD11 ILE B 693 31.214 -18.989 -6.765 1.00 1.00 H new ATOM 0 HD12 ILE B 693 32.206 -17.557 -6.399 1.00 1.00 H new ATOM 0 HD13 ILE B 693 30.533 -17.358 -6.973 1.00 1.00 H new ATOM 839 N LEU B 694 31.599 -13.830 -10.400 1.00 1.00 N ATOM 840 CA LEU B 694 31.984 -12.472 -10.761 1.00 1.00 C ATOM 841 C LEU B 694 30.892 -11.471 -10.396 1.00 1.00 C ATOM 842 O LEU B 694 31.183 -10.374 -9.920 1.00 1.00 O ATOM 843 CB LEU B 694 32.266 -12.397 -12.263 1.00 1.00 C ATOM 844 CG LEU B 694 33.542 -13.180 -12.588 1.00 1.00 C ATOM 845 CD1 LEU B 694 33.696 -13.280 -14.105 1.00 1.00 C ATOM 846 CD2 LEU B 694 34.771 -12.476 -11.993 1.00 1.00 C ATOM 0 H LEU B 694 31.507 -14.469 -11.189 1.00 1.00 H new ATOM 0 HA LEU B 694 32.884 -12.215 -10.202 1.00 1.00 H new ATOM 0 HB2 LEU B 694 31.424 -12.806 -12.822 1.00 1.00 H new ATOM 0 HB3 LEU B 694 32.377 -11.357 -12.571 1.00 1.00 H new ATOM 0 HG LEU B 694 33.467 -14.177 -12.154 1.00 1.00 H new ATOM 0 HD11 LEU B 694 34.603 -13.836 -14.343 1.00 1.00 H new ATOM 0 HD12 LEU B 694 32.833 -13.796 -14.525 1.00 1.00 H new ATOM 0 HD13 LEU B 694 33.763 -12.279 -14.531 1.00 1.00 H new ATOM 0 HD21 LEU B 694 35.669 -13.046 -12.233 1.00 1.00 H new ATOM 0 HD22 LEU B 694 34.854 -11.473 -12.412 1.00 1.00 H new ATOM 0 HD23 LEU B 694 34.663 -12.409 -10.910 1.00 1.00 H new ATOM 858 N VAL B 695 29.640 -11.842 -10.645 1.00 1.00 N ATOM 859 CA VAL B 695 28.523 -10.948 -10.361 1.00 1.00 C ATOM 860 C VAL B 695 28.402 -10.628 -8.869 1.00 1.00 C ATOM 861 O VAL B 695 28.239 -9.467 -8.497 1.00 1.00 O ATOM 862 CB VAL B 695 27.221 -11.585 -10.848 1.00 1.00 C ATOM 863 CG1 VAL B 695 26.034 -10.751 -10.361 1.00 1.00 C ATOM 864 CG2 VAL B 695 27.219 -11.634 -12.378 1.00 1.00 C ATOM 0 H VAL B 695 29.375 -12.745 -11.038 1.00 1.00 H new ATOM 0 HA VAL B 695 28.711 -10.012 -10.887 1.00 1.00 H new ATOM 0 HB VAL B 695 27.140 -12.598 -10.453 1.00 1.00 H new ATOM 0 HG11 VAL B 695 25.105 -11.204 -10.707 1.00 1.00 H new ATOM 0 HG12 VAL B 695 26.037 -10.716 -9.272 1.00 1.00 H new ATOM 0 HG13 VAL B 695 26.114 -9.739 -10.757 1.00 1.00 H new ATOM 0 HG21 VAL B 695 26.291 -12.088 -12.726 1.00 1.00 H new ATOM 0 HG22 VAL B 695 27.299 -10.622 -12.775 1.00 1.00 H new ATOM 0 HG23 VAL B 695 28.065 -12.227 -12.724 1.00 1.00 H new ATOM 874 N VAL B 696 28.482 -11.648 -8.018 1.00 1.00 N ATOM 875 CA VAL B 696 28.376 -11.423 -6.576 1.00 1.00 C ATOM 876 C VAL B 696 29.554 -10.598 -6.068 1.00 1.00 C ATOM 877 O VAL B 696 29.386 -9.715 -5.229 1.00 1.00 O ATOM 878 CB VAL B 696 28.291 -12.749 -5.813 1.00 1.00 C ATOM 879 CG1 VAL B 696 26.989 -13.462 -6.179 1.00 1.00 C ATOM 880 CG2 VAL B 696 29.470 -13.640 -6.193 1.00 1.00 C ATOM 0 H VAL B 696 28.617 -12.621 -8.293 1.00 1.00 H new ATOM 0 HA VAL B 696 27.457 -10.866 -6.396 1.00 1.00 H new ATOM 0 HB VAL B 696 28.316 -12.548 -4.742 1.00 1.00 H new ATOM 0 HG11 VAL B 696 26.926 -14.406 -5.637 1.00 1.00 H new ATOM 0 HG12 VAL B 696 26.141 -12.832 -5.910 1.00 1.00 H new ATOM 0 HG13 VAL B 696 26.970 -13.657 -7.251 1.00 1.00 H new ATOM 0 HG21 VAL B 696 29.405 -14.582 -5.648 1.00 1.00 H new ATOM 0 HG22 VAL B 696 29.445 -13.839 -7.264 1.00 1.00 H new ATOM 0 HG23 VAL B 696 30.403 -13.137 -5.939 1.00 1.00 H new ATOM 890 N LEU B 697 30.747 -10.896 -6.574 1.00 1.00 N ATOM 891 CA LEU B 697 31.940 -10.175 -6.150 1.00 1.00 C ATOM 892 C LEU B 697 31.813 -8.696 -6.504 1.00 1.00 C ATOM 893 O LEU B 697 32.135 -7.828 -5.693 1.00 1.00 O ATOM 894 CB LEU B 697 33.177 -10.774 -6.839 1.00 1.00 C ATOM 895 CG LEU B 697 34.447 -10.014 -6.430 1.00 1.00 C ATOM 896 CD1 LEU B 697 34.616 -10.058 -4.910 1.00 1.00 C ATOM 897 CD2 LEU B 697 35.661 -10.668 -7.091 1.00 1.00 C ATOM 0 H LEU B 697 30.912 -11.623 -7.270 1.00 1.00 H new ATOM 0 HA LEU B 697 32.048 -10.269 -5.070 1.00 1.00 H new ATOM 0 HB2 LEU B 697 33.275 -11.826 -6.571 1.00 1.00 H new ATOM 0 HB3 LEU B 697 33.054 -10.730 -7.921 1.00 1.00 H new ATOM 0 HG LEU B 697 34.363 -8.976 -6.752 1.00 1.00 H new ATOM 0 HD11 LEU B 697 35.519 -9.517 -4.629 1.00 1.00 H new ATOM 0 HD12 LEU B 697 33.752 -9.594 -4.434 1.00 1.00 H new ATOM 0 HD13 LEU B 697 34.698 -11.095 -4.583 1.00 1.00 H new ATOM 0 HD21 LEU B 697 36.565 -10.131 -6.803 1.00 1.00 H new ATOM 0 HD22 LEU B 697 35.736 -11.706 -6.767 1.00 1.00 H new ATOM 0 HD23 LEU B 697 35.548 -10.633 -8.175 1.00 1.00 H new ATOM 909 N LEU B 698 31.333 -8.414 -7.713 1.00 1.00 N ATOM 910 CA LEU B 698 31.159 -7.031 -8.142 1.00 1.00 C ATOM 911 C LEU B 698 30.133 -6.335 -7.256 1.00 1.00 C ATOM 912 O LEU B 698 30.332 -5.197 -6.832 1.00 1.00 O ATOM 913 CB LEU B 698 30.694 -6.995 -9.604 1.00 1.00 C ATOM 914 CG LEU B 698 30.486 -5.547 -10.064 1.00 1.00 C ATOM 915 CD1 LEU B 698 31.783 -4.754 -9.897 1.00 1.00 C ATOM 916 CD2 LEU B 698 30.076 -5.539 -11.540 1.00 1.00 C ATOM 0 H LEU B 698 31.061 -9.114 -8.403 1.00 1.00 H new ATOM 0 HA LEU B 698 32.113 -6.510 -8.056 1.00 1.00 H new ATOM 0 HB2 LEU B 698 31.433 -7.482 -10.239 1.00 1.00 H new ATOM 0 HB3 LEU B 698 29.764 -7.554 -9.710 1.00 1.00 H new ATOM 0 HG LEU B 698 29.704 -5.088 -9.459 1.00 1.00 H new ATOM 0 HD11 LEU B 698 31.626 -3.727 -10.226 1.00 1.00 H new ATOM 0 HD12 LEU B 698 32.079 -4.758 -8.848 1.00 1.00 H new ATOM 0 HD13 LEU B 698 32.569 -5.211 -10.498 1.00 1.00 H new ATOM 0 HD21 LEU B 698 29.927 -4.511 -11.871 1.00 1.00 H new ATOM 0 HD22 LEU B 698 30.861 -6.003 -12.138 1.00 1.00 H new ATOM 0 HD23 LEU B 698 29.148 -6.098 -11.663 1.00 1.00 H new ATOM 928 N SER B 699 29.039 -7.035 -6.971 1.00 1.00 N ATOM 929 CA SER B 699 27.984 -6.488 -6.125 1.00 1.00 C ATOM 930 C SER B 699 28.525 -6.171 -4.730 1.00 1.00 C ATOM 931 O SER B 699 28.195 -5.139 -4.146 1.00 1.00 O ATOM 932 CB SER B 699 26.834 -7.488 -6.014 1.00 1.00 C ATOM 933 OG SER B 699 26.287 -7.724 -7.306 1.00 1.00 O ATOM 0 H SER B 699 28.860 -7.979 -7.312 1.00 1.00 H new ATOM 0 HA SER B 699 27.620 -5.566 -6.579 1.00 1.00 H new ATOM 0 HB2 SER B 699 27.191 -8.423 -5.582 1.00 1.00 H new ATOM 0 HB3 SER B 699 26.064 -7.101 -5.346 1.00 1.00 H new ATOM 0 HG SER B 699 26.875 -8.329 -7.805 1.00 1.00 H new ATOM 939 N VAL B 700 29.346 -7.073 -4.197 1.00 1.00 N ATOM 940 CA VAL B 700 29.922 -6.876 -2.870 1.00 1.00 C ATOM 941 C VAL B 700 30.810 -5.638 -2.837 1.00 1.00 C ATOM 942 O VAL B 700 30.737 -4.838 -1.907 1.00 1.00 O ATOM 943 CB VAL B 700 30.735 -8.107 -2.457 1.00 1.00 C ATOM 944 CG1 VAL B 700 31.523 -7.797 -1.184 1.00 1.00 C ATOM 945 CG2 VAL B 700 29.790 -9.276 -2.179 1.00 1.00 C ATOM 0 H VAL B 700 29.625 -7.939 -4.658 1.00 1.00 H new ATOM 0 HA VAL B 700 29.102 -6.732 -2.166 1.00 1.00 H new ATOM 0 HB VAL B 700 31.421 -8.368 -3.263 1.00 1.00 H new ATOM 0 HG11 VAL B 700 32.101 -8.674 -0.891 1.00 1.00 H new ATOM 0 HG12 VAL B 700 32.199 -6.962 -1.369 1.00 1.00 H new ATOM 0 HG13 VAL B 700 30.832 -7.534 -0.383 1.00 1.00 H new ATOM 0 HG21 VAL B 700 30.370 -10.151 -1.885 1.00 1.00 H new ATOM 0 HG22 VAL B 700 29.106 -9.007 -1.374 1.00 1.00 H new ATOM 0 HG23 VAL B 700 29.219 -9.504 -3.079 1.00 1.00 H new ATOM 955 N MET B 701 31.653 -5.482 -3.852 1.00 1.00 N ATOM 956 CA MET B 701 32.546 -4.330 -3.907 1.00 1.00 C ATOM 957 C MET B 701 31.738 -3.039 -3.994 1.00 1.00 C ATOM 958 O MET B 701 32.069 -2.041 -3.349 1.00 1.00 O ATOM 959 CB MET B 701 33.472 -4.437 -5.123 1.00 1.00 C ATOM 960 CG MET B 701 34.552 -5.485 -4.851 1.00 1.00 C ATOM 961 SD MET B 701 35.582 -5.687 -6.328 1.00 1.00 S ATOM 962 CE MET B 701 36.349 -4.045 -6.313 1.00 1.00 C ATOM 0 H MET B 701 31.737 -6.128 -4.637 1.00 1.00 H new ATOM 0 HA MET B 701 33.147 -4.315 -2.998 1.00 1.00 H new ATOM 0 HB2 MET B 701 32.898 -4.712 -6.008 1.00 1.00 H new ATOM 0 HB3 MET B 701 33.932 -3.471 -5.329 1.00 1.00 H new ATOM 0 HG2 MET B 701 35.167 -5.178 -4.005 1.00 1.00 H new ATOM 0 HG3 MET B 701 34.092 -6.436 -4.582 1.00 1.00 H new ATOM 0 HE1 MET B 701 37.323 -4.094 -6.799 1.00 1.00 H new ATOM 0 HE2 MET B 701 35.712 -3.341 -6.848 1.00 1.00 H new ATOM 0 HE3 MET B 701 36.474 -3.711 -5.283 1.00 1.00 H new ATOM 972 N GLY B 702 30.679 -3.065 -4.791 1.00 1.00 N ATOM 973 CA GLY B 702 29.832 -1.891 -4.955 1.00 1.00 C ATOM 974 C GLY B 702 29.135 -1.516 -3.649 1.00 1.00 C ATOM 975 O GLY B 702 29.004 -0.336 -3.326 1.00 1.00 O ATOM 0 H GLY B 702 30.387 -3.880 -5.331 1.00 1.00 H new ATOM 0 HA2 GLY B 702 30.435 -1.051 -5.301 1.00 1.00 H new ATOM 0 HA3 GLY B 702 29.085 -2.085 -5.725 1.00 1.00 H new ATOM 979 N ALA B 703 28.679 -2.519 -2.905 1.00 1.00 N ATOM 980 CA ALA B 703 27.989 -2.258 -1.649 1.00 1.00 C ATOM 981 C ALA B 703 28.893 -1.521 -0.663 1.00 1.00 C ATOM 982 O ALA B 703 28.470 -0.555 -0.038 1.00 1.00 O ATOM 983 CB ALA B 703 27.523 -3.574 -1.027 1.00 1.00 C ATOM 0 H ALA B 703 28.773 -3.506 -3.146 1.00 1.00 H new ATOM 0 HA ALA B 703 27.127 -1.626 -1.865 1.00 1.00 H new ATOM 0 HB1 ALA B 703 27.008 -3.370 -0.088 1.00 1.00 H new ATOM 0 HB2 ALA B 703 26.842 -4.079 -1.712 1.00 1.00 H new ATOM 0 HB3 ALA B 703 28.386 -4.212 -0.836 1.00 1.00 H new ATOM 989 N ILE B 704 30.135 -1.981 -0.534 1.00 1.00 N ATOM 990 CA ILE B 704 31.088 -1.341 0.368 1.00 1.00 C ATOM 991 C ILE B 704 31.401 0.080 -0.069 1.00 1.00 C ATOM 992 O ILE B 704 31.514 0.984 0.760 1.00 1.00 O ATOM 993 CB ILE B 704 32.392 -2.139 0.483 1.00 1.00 C ATOM 994 CG1 ILE B 704 32.100 -3.594 0.883 1.00 1.00 C ATOM 995 CG2 ILE B 704 33.323 -1.477 1.501 1.00 1.00 C ATOM 996 CD1 ILE B 704 31.377 -3.657 2.242 1.00 1.00 C ATOM 0 H ILE B 704 30.503 -2.788 -1.038 1.00 1.00 H new ATOM 0 HA ILE B 704 30.612 -1.313 1.348 1.00 1.00 H new ATOM 0 HB ILE B 704 32.886 -2.146 -0.489 1.00 1.00 H new ATOM 0 HG12 ILE B 704 31.486 -4.069 0.118 1.00 1.00 H new ATOM 0 HG13 ILE B 704 33.033 -4.155 0.937 1.00 1.00 H new ATOM 0 HG21 ILE B 704 34.247 -2.051 1.576 1.00 1.00 H new ATOM 0 HG22 ILE B 704 33.552 -0.461 1.178 1.00 1.00 H new ATOM 0 HG23 ILE B 704 32.835 -1.447 2.475 1.00 1.00 H new ATOM 0 HD11 ILE B 704 31.182 -4.697 2.502 1.00 1.00 H new ATOM 0 HD12 ILE B 704 32.004 -3.202 3.009 1.00 1.00 H new ATOM 0 HD13 ILE B 704 30.433 -3.116 2.177 1.00 1.00 H new ATOM 1008 N LEU B 705 31.576 0.274 -1.368 1.00 1.00 N ATOM 1009 CA LEU B 705 31.896 1.599 -1.870 1.00 1.00 C ATOM 1010 C LEU B 705 30.733 2.563 -1.588 1.00 1.00 C ATOM 1011 O LEU B 705 30.939 3.702 -1.158 1.00 1.00 O ATOM 1012 CB LEU B 705 32.179 1.520 -3.368 1.00 1.00 C ATOM 1013 CG LEU B 705 32.558 2.903 -3.923 1.00 1.00 C ATOM 1014 CD1 LEU B 705 33.802 3.434 -3.204 1.00 1.00 C ATOM 1015 CD2 LEU B 705 32.873 2.783 -5.414 1.00 1.00 C ATOM 0 H LEU B 705 31.504 -0.453 -2.079 1.00 1.00 H new ATOM 0 HA LEU B 705 32.784 1.976 -1.363 1.00 1.00 H new ATOM 0 HB2 LEU B 705 32.988 0.814 -3.554 1.00 1.00 H new ATOM 0 HB3 LEU B 705 31.300 1.142 -3.890 1.00 1.00 H new ATOM 0 HG LEU B 705 31.723 3.586 -3.766 1.00 1.00 H new ATOM 0 HD11 LEU B 705 34.063 4.414 -3.604 1.00 1.00 H new ATOM 0 HD12 LEU B 705 33.596 3.520 -2.137 1.00 1.00 H new ATOM 0 HD13 LEU B 705 34.633 2.746 -3.359 1.00 1.00 H new ATOM 0 HD21 LEU B 705 33.142 3.763 -5.809 1.00 1.00 H new ATOM 0 HD22 LEU B 705 33.705 2.094 -5.556 1.00 1.00 H new ATOM 0 HD23 LEU B 705 31.997 2.407 -5.942 1.00 1.00 H new ATOM 1027 N LEU B 706 29.501 2.097 -1.810 1.00 1.00 N ATOM 1028 CA LEU B 706 28.322 2.929 -1.542 1.00 1.00 C ATOM 1029 C LEU B 706 28.249 3.261 -0.053 1.00 1.00 C ATOM 1030 O LEU B 706 27.920 4.388 0.335 1.00 1.00 O ATOM 1031 CB LEU B 706 27.020 2.214 -1.975 1.00 1.00 C ATOM 1032 CG LEU B 706 26.911 2.163 -3.509 1.00 1.00 C ATOM 1033 CD1 LEU B 706 25.695 1.333 -3.920 1.00 1.00 C ATOM 1034 CD2 LEU B 706 26.753 3.571 -4.088 1.00 1.00 C ATOM 0 H LEU B 706 29.294 1.165 -2.168 1.00 1.00 H new ATOM 0 HA LEU B 706 28.419 3.847 -2.122 1.00 1.00 H new ATOM 0 HB2 LEU B 706 27.003 1.202 -1.571 1.00 1.00 H new ATOM 0 HB3 LEU B 706 26.158 2.737 -1.561 1.00 1.00 H new ATOM 0 HG LEU B 706 27.824 1.711 -3.895 1.00 1.00 H new ATOM 0 HD11 LEU B 706 25.626 1.303 -5.007 1.00 1.00 H new ATOM 0 HD12 LEU B 706 25.800 0.319 -3.534 1.00 1.00 H new ATOM 0 HD13 LEU B 706 24.791 1.785 -3.512 1.00 1.00 H new ATOM 0 HD21 LEU B 706 26.678 3.512 -5.174 1.00 1.00 H new ATOM 0 HD22 LEU B 706 25.850 4.030 -3.686 1.00 1.00 H new ATOM 0 HD23 LEU B 706 27.619 4.175 -3.817 1.00 1.00 H new ATOM 1046 N ILE B 707 28.539 2.262 0.776 1.00 1.00 N ATOM 1047 CA ILE B 707 28.514 2.460 2.222 1.00 1.00 C ATOM 1048 C ILE B 707 29.642 3.388 2.667 1.00 1.00 C ATOM 1049 O ILE B 707 29.462 4.273 3.505 1.00 1.00 O ATOM 1050 CB ILE B 707 28.616 1.130 2.961 1.00 1.00 C ATOM 1051 CG1 ILE B 707 27.352 0.302 2.693 1.00 1.00 C ATOM 1052 CG2 ILE B 707 28.745 1.416 4.457 1.00 1.00 C ATOM 1053 CD1 ILE B 707 27.569 -1.144 3.152 1.00 1.00 C ATOM 0 H ILE B 707 28.791 1.320 0.477 1.00 1.00 H new ATOM 0 HA ILE B 707 27.560 2.924 2.471 1.00 1.00 H new ATOM 0 HB ILE B 707 29.485 0.570 2.617 1.00 1.00 H new ATOM 0 HG12 ILE B 707 26.503 0.737 3.221 1.00 1.00 H new ATOM 0 HG13 ILE B 707 27.111 0.323 1.630 1.00 1.00 H new ATOM 0 HG21 ILE B 707 28.819 0.475 5.002 1.00 1.00 H new ATOM 0 HG22 ILE B 707 29.640 2.012 4.638 1.00 1.00 H new ATOM 0 HG23 ILE B 707 27.868 1.966 4.799 1.00 1.00 H new ATOM 0 HD11 ILE B 707 26.668 -1.726 2.959 1.00 1.00 H new ATOM 0 HD12 ILE B 707 28.406 -1.578 2.604 1.00 1.00 H new ATOM 0 HD13 ILE B 707 27.788 -1.158 4.220 1.00 1.00 H new ATOM 1065 N GLY B 708 30.811 3.159 2.098 1.00 1.00 N ATOM 1066 CA GLY B 708 31.979 3.960 2.439 1.00 1.00 C ATOM 1067 C GLY B 708 31.761 5.430 2.105 1.00 1.00 C ATOM 1068 O GLY B 708 32.134 6.306 2.886 1.00 1.00 O ATOM 0 H GLY B 708 30.980 2.432 1.403 1.00 1.00 H new ATOM 0 HA2 GLY B 708 32.196 3.855 3.502 1.00 1.00 H new ATOM 0 HA3 GLY B 708 32.848 3.587 1.898 1.00 1.00 H new ATOM 1072 N LEU B 709 31.163 5.706 0.950 1.00 1.00 N ATOM 1073 CA LEU B 709 30.916 7.089 0.558 1.00 1.00 C ATOM 1074 C LEU B 709 29.963 7.762 1.533 1.00 1.00 C ATOM 1075 O LEU B 709 30.156 8.918 1.911 1.00 1.00 O ATOM 1076 CB LEU B 709 30.345 7.156 -0.858 1.00 1.00 C ATOM 1077 CG LEU B 709 31.425 6.760 -1.868 1.00 1.00 C ATOM 1078 CD1 LEU B 709 30.792 6.597 -3.249 1.00 1.00 C ATOM 1079 CD2 LEU B 709 32.513 7.846 -1.935 1.00 1.00 C ATOM 0 H LEU B 709 30.846 5.005 0.280 1.00 1.00 H new ATOM 0 HA LEU B 709 31.869 7.618 0.577 1.00 1.00 H new ATOM 0 HB2 LEU B 709 29.488 6.489 -0.947 1.00 1.00 H new ATOM 0 HB3 LEU B 709 29.988 8.164 -1.069 1.00 1.00 H new ATOM 0 HG LEU B 709 31.877 5.820 -1.553 1.00 1.00 H new ATOM 0 HD11 LEU B 709 31.559 6.315 -3.970 1.00 1.00 H new ATOM 0 HD12 LEU B 709 30.028 5.821 -3.210 1.00 1.00 H new ATOM 0 HD13 LEU B 709 30.336 7.539 -3.554 1.00 1.00 H new ATOM 0 HD21 LEU B 709 33.276 7.553 -2.657 1.00 1.00 H new ATOM 0 HD22 LEU B 709 32.065 8.791 -2.243 1.00 1.00 H new ATOM 0 HD23 LEU B 709 32.970 7.965 -0.952 1.00 1.00 H new ATOM 1091 N ALA B 710 28.928 7.031 1.938 1.00 1.00 N ATOM 1092 CA ALA B 710 27.948 7.576 2.869 1.00 1.00 C ATOM 1093 C ALA B 710 28.600 7.900 4.212 1.00 1.00 C ATOM 1094 O ALA B 710 28.289 8.916 4.833 1.00 1.00 O ATOM 1095 CB ALA B 710 26.810 6.575 3.076 1.00 1.00 C ATOM 0 H ALA B 710 28.748 6.072 1.640 1.00 1.00 H new ATOM 0 HA ALA B 710 27.547 8.497 2.445 1.00 1.00 H new ATOM 0 HB1 ALA B 710 26.082 6.990 3.773 1.00 1.00 H new ATOM 0 HB2 ALA B 710 26.324 6.374 2.121 1.00 1.00 H new ATOM 0 HB3 ALA B 710 27.212 5.646 3.481 1.00 1.00 H new ATOM 1101 N ALA B 711 29.510 7.034 4.654 1.00 1.00 N ATOM 1102 CA ALA B 711 30.200 7.248 5.924 1.00 1.00 C ATOM 1103 C ALA B 711 31.049 8.514 5.864 1.00 1.00 C ATOM 1104 O ALA B 711 31.107 9.282 6.826 1.00 1.00 O ATOM 1105 CB ALA B 711 31.092 6.046 6.248 1.00 1.00 C ATOM 0 H ALA B 711 29.784 6.186 4.158 1.00 1.00 H new ATOM 0 HA ALA B 711 29.451 7.362 6.707 1.00 1.00 H new ATOM 0 HB1 ALA B 711 31.601 6.216 7.196 1.00 1.00 H new ATOM 0 HB2 ALA B 711 30.479 5.147 6.321 1.00 1.00 H new ATOM 0 HB3 ALA B 711 31.831 5.918 5.457 1.00 1.00 H new ATOM 1111 N LEU B 712 31.695 8.729 4.724 1.00 1.00 N ATOM 1112 CA LEU B 712 32.531 9.910 4.538 1.00 1.00 C ATOM 1113 C LEU B 712 31.683 11.176 4.618 1.00 1.00 C ATOM 1114 O LEU B 712 32.089 12.171 5.217 1.00 1.00 O ATOM 1115 CB LEU B 712 33.232 9.842 3.180 1.00 1.00 C ATOM 1116 CG LEU B 712 34.282 8.726 3.191 1.00 1.00 C ATOM 1117 CD1 LEU B 712 34.830 8.531 1.777 1.00 1.00 C ATOM 1118 CD2 LEU B 712 35.436 9.089 4.138 1.00 1.00 C ATOM 0 H LEU B 712 31.657 8.105 3.918 1.00 1.00 H new ATOM 0 HA LEU B 712 33.280 9.937 5.329 1.00 1.00 H new ATOM 0 HB2 LEU B 712 32.501 9.658 2.392 1.00 1.00 H new ATOM 0 HB3 LEU B 712 33.707 10.798 2.958 1.00 1.00 H new ATOM 0 HG LEU B 712 33.815 7.804 3.538 1.00 1.00 H new ATOM 0 HD11 LEU B 712 35.577 7.737 1.783 1.00 1.00 H new ATOM 0 HD12 LEU B 712 34.016 8.258 1.106 1.00 1.00 H new ATOM 0 HD13 LEU B 712 35.288 9.458 1.433 1.00 1.00 H new ATOM 0 HD21 LEU B 712 36.174 8.287 4.136 1.00 1.00 H new ATOM 0 HD22 LEU B 712 35.904 10.014 3.803 1.00 1.00 H new ATOM 0 HD23 LEU B 712 35.049 9.223 5.148 1.00 1.00 H new ATOM 1130 N LEU B 713 30.503 11.124 4.007 1.00 1.00 N ATOM 1131 CA LEU B 713 29.594 12.267 4.006 1.00 1.00 C ATOM 1132 C LEU B 713 29.161 12.607 5.428 1.00 1.00 C ATOM 1133 O LEU B 713 29.083 13.777 5.800 1.00 1.00 O ATOM 1134 CB LEU B 713 28.357 11.950 3.159 1.00 1.00 C ATOM 1135 CG LEU B 713 28.749 11.870 1.679 1.00 1.00 C ATOM 1136 CD1 LEU B 713 27.565 11.343 0.866 1.00 1.00 C ATOM 1137 CD2 LEU B 713 29.149 13.256 1.154 1.00 1.00 C ATOM 0 H LEU B 713 30.154 10.306 3.508 1.00 1.00 H new ATOM 0 HA LEU B 713 30.118 13.123 3.581 1.00 1.00 H new ATOM 0 HB2 LEU B 713 27.917 11.006 3.480 1.00 1.00 H new ATOM 0 HB3 LEU B 713 27.599 12.720 3.303 1.00 1.00 H new ATOM 0 HG LEU B 713 29.599 11.195 1.577 1.00 1.00 H new ATOM 0 HD11 LEU B 713 27.843 11.286 -0.186 1.00 1.00 H new ATOM 0 HD12 LEU B 713 27.291 10.350 1.223 1.00 1.00 H new ATOM 0 HD13 LEU B 713 26.716 12.017 0.981 1.00 1.00 H new ATOM 0 HD21 LEU B 713 29.424 13.181 0.102 1.00 1.00 H new ATOM 0 HD22 LEU B 713 28.309 13.942 1.261 1.00 1.00 H new ATOM 0 HD23 LEU B 713 29.998 13.630 1.726 1.00 1.00 H new ATOM 1149 N ILE B 714 28.879 11.580 6.222 1.00 1.00 N ATOM 1150 CA ILE B 714 28.455 11.794 7.599 1.00 1.00 C ATOM 1151 C ILE B 714 29.565 12.471 8.396 1.00 1.00 C ATOM 1152 O ILE B 714 29.315 13.404 9.158 1.00 1.00 O ATOM 1153 CB ILE B 714 28.097 10.460 8.254 1.00 1.00 C ATOM 1154 CG1 ILE B 714 26.834 9.897 7.601 1.00 1.00 C ATOM 1155 CG2 ILE B 714 27.847 10.676 9.748 1.00 1.00 C ATOM 1156 CD1 ILE B 714 26.636 8.448 8.045 1.00 1.00 C ATOM 0 H ILE B 714 28.936 10.602 5.939 1.00 1.00 H new ATOM 0 HA ILE B 714 27.576 12.439 7.593 1.00 1.00 H new ATOM 0 HB ILE B 714 28.919 9.757 8.122 1.00 1.00 H new ATOM 0 HG12 ILE B 714 25.968 10.497 7.882 1.00 1.00 H new ATOM 0 HG13 ILE B 714 26.919 9.948 6.516 1.00 1.00 H new ATOM 0 HG21 ILE B 714 27.592 9.725 10.215 1.00 1.00 H new ATOM 0 HG22 ILE B 714 28.747 11.079 10.213 1.00 1.00 H new ATOM 0 HG23 ILE B 714 27.024 11.378 9.881 1.00 1.00 H new ATOM 0 HD11 ILE B 714 25.736 8.045 7.581 1.00 1.00 H new ATOM 0 HD12 ILE B 714 27.498 7.854 7.742 1.00 1.00 H new ATOM 0 HD13 ILE B 714 26.532 8.411 9.129 1.00 1.00 H new ATOM 1168 N TRP B 715 30.794 12.002 8.209 1.00 1.00 N ATOM 1169 CA TRP B 715 31.935 12.577 8.913 1.00 1.00 C ATOM 1170 C TRP B 715 32.063 14.055 8.540 1.00 1.00 C ATOM 1171 O TRP B 715 32.233 14.920 9.400 1.00 1.00 O ATOM 1172 CB TRP B 715 33.208 11.820 8.514 1.00 1.00 C ATOM 1173 CG TRP B 715 34.215 11.846 9.627 1.00 1.00 C ATOM 1174 CD1 TRP B 715 34.364 12.835 10.538 1.00 1.00 C ATOM 1175 CD2 TRP B 715 35.216 10.837 9.956 1.00 1.00 C ATOM 1176 NE1 TRP B 715 35.391 12.498 11.402 1.00 1.00 N ATOM 1177 CE2 TRP B 715 35.947 11.277 11.084 1.00 1.00 C ATOM 1178 CE3 TRP B 715 35.556 9.596 9.387 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 36.979 10.512 11.630 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 36.594 8.824 9.934 1.00 1.00 C ATOM 1181 CH2 TRP B 715 37.304 9.282 11.053 1.00 1.00 C ATOM 0 H TRP B 715 31.025 11.232 7.581 1.00 1.00 H new ATOM 0 HA TRP B 715 31.791 12.491 9.990 1.00 1.00 H new ATOM 0 HB2 TRP B 715 32.960 10.788 8.266 1.00 1.00 H new ATOM 0 HB3 TRP B 715 33.638 12.269 7.618 1.00 1.00 H new ATOM 0 HD1 TRP B 715 33.777 13.740 10.584 1.00 1.00 H new ATOM 0 HE1 TRP B 715 35.699 13.082 12.180 1.00 1.00 H new ATOM 0 HE3 TRP B 715 35.016 9.235 8.524 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 37.522 10.869 12.493 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 36.847 7.872 9.490 1.00 1.00 H new ATOM 0 HH2 TRP B 715 38.102 8.684 11.469 1.00 1.00 H new ATOM 1192 N LYS B 716 31.956 14.338 7.247 1.00 1.00 N ATOM 1193 CA LYS B 716 32.046 15.711 6.757 1.00 1.00 C ATOM 1194 C LYS B 716 30.915 16.547 7.362 1.00 1.00 C ATOM 1195 O LYS B 716 31.109 17.700 7.743 1.00 1.00 O ATOM 1196 CB LYS B 716 31.920 15.712 5.224 1.00 1.00 C ATOM 1197 CG LYS B 716 33.129 16.397 4.537 1.00 1.00 C ATOM 1198 CD LYS B 716 32.967 17.933 4.473 1.00 1.00 C ATOM 1199 CE LYS B 716 33.578 18.600 5.711 1.00 1.00 C ATOM 1200 NZ LYS B 716 33.621 20.074 5.499 1.00 1.00 N ATOM 0 H LYS B 716 31.807 13.638 6.520 1.00 1.00 H new ATOM 0 HA LYS B 716 33.006 16.139 7.046 1.00 1.00 H new ATOM 0 HB2 LYS B 716 31.836 14.685 4.868 1.00 1.00 H new ATOM 0 HB3 LYS B 716 31.002 16.226 4.937 1.00 1.00 H new ATOM 0 HG2 LYS B 716 34.041 16.151 5.080 1.00 1.00 H new ATOM 0 HG3 LYS B 716 33.243 16.002 3.527 1.00 1.00 H new ATOM 0 HD2 LYS B 716 33.449 18.316 3.573 1.00 1.00 H new ATOM 0 HD3 LYS B 716 31.910 18.188 4.402 1.00 1.00 H new ATOM 0 HE2 LYS B 716 32.986 18.364 6.596 1.00 1.00 H new ATOM 0 HE3 LYS B 716 34.583 18.216 5.888 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 33.773 20.552 6.410 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 34.400 20.309 4.851 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 32.720 20.392 5.087 1.00 1.00 H new ATOM 1214 N LEU B 717 29.732 15.953 7.443 1.00 1.00 N ATOM 1215 CA LEU B 717 28.573 16.647 7.997 1.00 1.00 C ATOM 1216 C LEU B 717 28.819 17.013 9.459 1.00 1.00 C ATOM 1217 O LEU B 717 28.486 18.115 9.896 1.00 1.00 O ATOM 1218 CB LEU B 717 27.332 15.751 7.885 1.00 1.00 C ATOM 1219 CG LEU B 717 26.099 16.468 8.452 1.00 1.00 C ATOM 1220 CD1 LEU B 717 25.858 17.774 7.695 1.00 1.00 C ATOM 1221 CD2 LEU B 717 24.874 15.565 8.295 1.00 1.00 C ATOM 0 H LEU B 717 29.548 14.998 7.135 1.00 1.00 H new ATOM 0 HA LEU B 717 28.409 17.564 7.432 1.00 1.00 H new ATOM 0 HB2 LEU B 717 27.159 15.488 6.841 1.00 1.00 H new ATOM 0 HB3 LEU B 717 27.499 14.819 8.425 1.00 1.00 H new ATOM 0 HG LEU B 717 26.268 16.689 9.506 1.00 1.00 H new ATOM 0 HD11 LEU B 717 24.981 18.275 8.105 1.00 1.00 H new ATOM 0 HD12 LEU B 717 26.728 18.422 7.800 1.00 1.00 H new ATOM 0 HD13 LEU B 717 25.692 17.558 6.640 1.00 1.00 H new ATOM 0 HD21 LEU B 717 23.996 16.070 8.697 1.00 1.00 H new ATOM 0 HD22 LEU B 717 24.716 15.347 7.239 1.00 1.00 H new ATOM 0 HD23 LEU B 717 25.037 14.634 8.838 1.00 1.00 H new ATOM 1233 N LEU B 718 29.402 16.082 10.207 1.00 1.00 N ATOM 1234 CA LEU B 718 29.692 16.314 11.618 1.00 1.00 C ATOM 1235 C LEU B 718 30.684 17.462 11.775 1.00 1.00 C ATOM 1236 O LEU B 718 30.542 18.311 12.658 1.00 1.00 O ATOM 1237 CB LEU B 718 30.266 15.044 12.252 1.00 1.00 C ATOM 1238 CG LEU B 718 29.173 13.971 12.350 1.00 1.00 C ATOM 1239 CD1 LEU B 718 29.803 12.639 12.764 1.00 1.00 C ATOM 1240 CD2 LEU B 718 28.114 14.378 13.385 1.00 1.00 C ATOM 0 H LEU B 718 29.682 15.164 9.862 1.00 1.00 H new ATOM 0 HA LEU B 718 28.763 16.579 12.124 1.00 1.00 H new ATOM 0 HB2 LEU B 718 31.099 14.674 11.655 1.00 1.00 H new ATOM 0 HB3 LEU B 718 30.659 15.267 13.244 1.00 1.00 H new ATOM 0 HG LEU B 718 28.693 13.867 11.377 1.00 1.00 H new ATOM 0 HD11 LEU B 718 29.028 11.876 12.834 1.00 1.00 H new ATOM 0 HD12 LEU B 718 30.541 12.339 12.020 1.00 1.00 H new ATOM 0 HD13 LEU B 718 30.289 12.752 13.733 1.00 1.00 H new ATOM 0 HD21 LEU B 718 27.346 13.607 13.442 1.00 1.00 H new ATOM 0 HD22 LEU B 718 28.585 14.494 14.361 1.00 1.00 H new ATOM 0 HD23 LEU B 718 27.658 15.322 13.087 1.00 1.00 H new ATOM 1252 N ILE B 719 31.696 17.497 10.921 1.00 1.00 N ATOM 1253 CA ILE B 719 32.677 18.563 11.010 1.00 1.00 C ATOM 1254 C ILE B 719 32.021 19.910 10.743 1.00 1.00 C ATOM 1255 O ILE B 719 32.279 20.881 11.449 1.00 1.00 O ATOM 1256 CB ILE B 719 33.807 18.342 10.001 1.00 1.00 C ATOM 1257 CG1 ILE B 719 34.627 17.116 10.420 1.00 1.00 C ATOM 1258 CG2 ILE B 719 34.712 19.579 9.960 1.00 1.00 C ATOM 1259 CD1 ILE B 719 35.623 16.737 9.318 1.00 1.00 C ATOM 0 H ILE B 719 31.856 16.818 10.177 1.00 1.00 H new ATOM 0 HA ILE B 719 33.092 18.556 12.018 1.00 1.00 H new ATOM 0 HB ILE B 719 33.384 18.176 9.010 1.00 1.00 H new ATOM 0 HG12 ILE B 719 35.162 17.328 11.346 1.00 1.00 H new ATOM 0 HG13 ILE B 719 33.961 16.277 10.622 1.00 1.00 H new ATOM 0 HG21 ILE B 719 35.515 19.418 9.241 1.00 1.00 H new ATOM 0 HG22 ILE B 719 34.126 20.449 9.662 1.00 1.00 H new ATOM 0 HG23 ILE B 719 35.139 19.751 10.948 1.00 1.00 H new ATOM 0 HD11 ILE B 719 36.197 15.865 9.631 1.00 1.00 H new ATOM 0 HD12 ILE B 719 35.081 16.505 8.402 1.00 1.00 H new ATOM 0 HD13 ILE B 719 36.300 17.572 9.137 1.00 1.00 H new ATOM 1271 N THR B 720 31.177 19.965 9.715 1.00 1.00 N ATOM 1272 CA THR B 720 30.506 21.212 9.360 1.00 1.00 C ATOM 1273 C THR B 720 29.567 21.707 10.462 1.00 1.00 C ATOM 1274 O THR B 720 29.600 22.884 10.819 1.00 1.00 O ATOM 1275 CB THR B 720 29.705 21.017 8.070 1.00 1.00 C ATOM 1276 OG1 THR B 720 30.529 20.398 7.093 1.00 1.00 O ATOM 1277 CG2 THR B 720 29.233 22.378 7.549 1.00 1.00 C ATOM 0 H THR B 720 30.944 19.170 9.120 1.00 1.00 H new ATOM 0 HA THR B 720 31.281 21.965 9.222 1.00 1.00 H new ATOM 0 HB THR B 720 28.840 20.386 8.272 1.00 1.00 H new ATOM 0 HG1 THR B 720 30.576 19.435 7.268 1.00 1.00 H new ATOM 0 HG21 THR B 720 28.663 22.238 6.631 1.00 1.00 H new ATOM 0 HG22 THR B 720 28.602 22.856 8.299 1.00 1.00 H new ATOM 0 HG23 THR B 720 30.098 23.010 7.347 1.00 1.00 H new ATOM 1285 N ILE B 721 28.715 20.826 10.985 1.00 1.00 N ATOM 1286 CA ILE B 721 27.764 21.241 12.023 1.00 1.00 C ATOM 1287 C ILE B 721 28.485 21.697 13.292 1.00 1.00 C ATOM 1288 O ILE B 721 28.181 22.754 13.846 1.00 1.00 O ATOM 1289 CB ILE B 721 26.834 20.071 12.366 1.00 1.00 C ATOM 1290 CG1 ILE B 721 25.941 19.730 11.158 1.00 1.00 C ATOM 1291 CG2 ILE B 721 25.968 20.429 13.578 1.00 1.00 C ATOM 1292 CD1 ILE B 721 25.053 20.920 10.752 1.00 1.00 C ATOM 0 H ILE B 721 28.660 19.843 10.718 1.00 1.00 H new ATOM 0 HA ILE B 721 27.188 22.081 11.634 1.00 1.00 H new ATOM 0 HB ILE B 721 27.440 19.198 12.610 1.00 1.00 H new ATOM 0 HG12 ILE B 721 26.566 19.438 10.314 1.00 1.00 H new ATOM 0 HG13 ILE B 721 25.313 18.873 11.401 1.00 1.00 H new ATOM 0 HG21 ILE B 721 25.310 19.593 13.815 1.00 1.00 H new ATOM 0 HG22 ILE B 721 26.609 20.640 14.434 1.00 1.00 H new ATOM 0 HG23 ILE B 721 25.367 21.309 13.349 1.00 1.00 H new ATOM 0 HD11 ILE B 721 24.438 20.640 9.897 1.00 1.00 H new ATOM 0 HD12 ILE B 721 24.409 21.195 11.587 1.00 1.00 H new ATOM 0 HD13 ILE B 721 25.682 21.769 10.484 1.00 1.00 H new ATOM 1304 N HIS B 722 29.450 20.903 13.736 1.00 1.00 N ATOM 1305 CA HIS B 722 30.224 21.238 14.925 1.00 1.00 C ATOM 1306 C HIS B 722 31.119 22.457 14.698 1.00 1.00 C ATOM 1307 O HIS B 722 31.219 23.332 15.557 1.00 1.00 O ATOM 1308 CB HIS B 722 31.039 20.022 15.365 1.00 1.00 C ATOM 1309 CG HIS B 722 32.494 20.280 15.139 1.00 1.00 C ATOM 1310 ND1 HIS B 722 33.122 19.900 13.966 1.00 1.00 N ATOM 1311 CD2 HIS B 722 33.461 20.870 15.913 1.00 1.00 C ATOM 1312 CE1 HIS B 722 34.415 20.261 14.064 1.00 1.00 C ATOM 1313 NE2 HIS B 722 34.675 20.857 15.232 1.00 1.00 N ATOM 0 H HIS B 722 29.716 20.024 13.292 1.00 1.00 H new ATOM 0 HA HIS B 722 29.531 21.507 15.722 1.00 1.00 H new ATOM 0 HB2 HIS B 722 30.857 19.812 16.419 1.00 1.00 H new ATOM 0 HB3 HIS B 722 30.725 19.141 14.806 1.00 1.00 H new ATOM 0 HD2 HIS B 722 33.304 21.281 16.899 1.00 1.00 H new ATOM 0 HE1 HIS B 722 35.152 20.090 13.293 1.00 1.00 H new ATOM 0 HE2 HIS B 722 35.570 21.223 15.555 1.00 1.00 H new ATOM 1321 N ASP B 723 31.773 22.507 13.541 1.00 1.00 N ATOM 1322 CA ASP B 723 32.658 23.623 13.223 1.00 1.00 C ATOM 1323 C ASP B 723 31.869 24.928 13.161 1.00 1.00 C ATOM 1324 O ASP B 723 32.331 25.967 13.634 1.00 1.00 O ATOM 1325 CB ASP B 723 33.345 23.376 11.878 1.00 1.00 C ATOM 1326 CG ASP B 723 34.275 24.535 11.546 1.00 1.00 C ATOM 1327 OD1 ASP B 723 34.328 25.467 12.328 1.00 1.00 O ATOM 1328 OD2 ASP B 723 34.941 24.462 10.527 1.00 1.00 O ATOM 0 H ASP B 723 31.708 21.795 12.814 1.00 1.00 H new ATOM 0 HA ASP B 723 33.411 23.702 14.007 1.00 1.00 H new ATOM 0 HB2 ASP B 723 33.910 22.445 11.915 1.00 1.00 H new ATOM 0 HB3 ASP B 723 32.597 23.264 11.094 1.00 1.00 H new