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 Set 1.1: B 716 LYS NZ :NH3+ 171:sc= -0.118 (180deg=-0.0798) USER MOD Set 1.2: B 720 THR OG1 : rot 79:sc= 0.126! USER MOD Single : A 981 THR OG1 : rot 77:sc= 0.578 USER MOD Single : A 987 MET CE :methyl 170:sc= -0.8 (180deg=-0.842) 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= 0.634 USER MOD Single : B 701 MET CE :methyl 152:sc= -0.206 (180deg=-1.18) USER MOD Single : B 722 HIS : no HD1:sc= -4.63! C(o=-4.6!,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 32.301 -19.027 -0.435 1.00 1.00 N ATOM 137 CA ILE A 966 32.146 -17.764 0.284 1.00 1.00 C ATOM 138 C ILE A 966 33.416 -16.919 0.226 1.00 1.00 C ATOM 139 O ILE A 966 33.372 -15.700 0.403 1.00 1.00 O ATOM 140 CB ILE A 966 31.785 -18.041 1.746 1.00 1.00 C ATOM 141 CG1 ILE A 966 31.387 -16.732 2.435 1.00 1.00 C ATOM 142 CG2 ILE A 966 32.992 -18.645 2.464 1.00 1.00 C ATOM 143 CD1 ILE A 966 30.759 -17.045 3.794 1.00 1.00 C ATOM 0 HA ILE A 966 31.346 -17.204 -0.200 1.00 1.00 H new ATOM 0 HB ILE A 966 30.949 -18.740 1.785 1.00 1.00 H new ATOM 0 HG12 ILE A 966 32.262 -16.095 2.564 1.00 1.00 H new ATOM 0 HG13 ILE A 966 30.681 -16.181 1.814 1.00 1.00 H new ATOM 0 HG21 ILE A 966 32.735 -18.842 3.505 1.00 1.00 H new ATOM 0 HG22 ILE A 966 33.276 -19.578 1.977 1.00 1.00 H new ATOM 0 HG23 ILE A 966 33.827 -17.946 2.423 1.00 1.00 H new ATOM 0 HD11 ILE A 966 30.475 -16.115 4.286 1.00 1.00 H new ATOM 0 HD12 ILE A 966 29.874 -17.665 3.652 1.00 1.00 H new ATOM 0 HD13 ILE A 966 31.480 -17.578 4.414 1.00 1.00 H new ATOM 155 N TRP A 967 34.551 -17.572 0.021 1.00 1.00 N ATOM 156 CA TRP A 967 35.833 -16.872 -0.009 1.00 1.00 C ATOM 157 C TRP A 967 35.838 -15.756 -1.052 1.00 1.00 C ATOM 158 O TRP A 967 36.432 -14.702 -0.825 1.00 1.00 O ATOM 159 CB TRP A 967 36.958 -17.862 -0.319 1.00 1.00 C ATOM 160 CG TRP A 967 37.140 -18.790 0.839 1.00 1.00 C ATOM 161 CD1 TRP A 967 36.705 -20.070 0.883 1.00 1.00 C ATOM 162 CD2 TRP A 967 37.796 -18.536 2.115 1.00 1.00 C ATOM 163 NE1 TRP A 967 37.051 -20.617 2.106 1.00 1.00 N ATOM 164 CE2 TRP A 967 37.725 -19.711 2.899 1.00 1.00 C ATOM 165 CE3 TRP A 967 38.439 -17.411 2.662 1.00 1.00 C ATOM 166 CZ2 TRP A 967 38.272 -19.768 4.182 1.00 1.00 C ATOM 167 CZ3 TRP A 967 38.991 -17.465 3.952 1.00 1.00 C ATOM 168 CH2 TRP A 967 38.908 -18.642 4.711 1.00 1.00 C ATOM 0 H TRP A 967 34.614 -18.579 -0.126 1.00 1.00 H new ATOM 0 HA TRP A 967 35.991 -16.423 0.972 1.00 1.00 H new ATOM 0 HB2 TRP A 967 36.720 -18.429 -1.219 1.00 1.00 H new ATOM 0 HB3 TRP A 967 37.885 -17.324 -0.517 1.00 1.00 H new ATOM 0 HD1 TRP A 967 36.175 -20.581 0.093 1.00 1.00 H new ATOM 0 HE1 TRP A 967 36.834 -21.573 2.387 1.00 1.00 H new ATOM 0 HE3 TRP A 967 38.509 -16.500 2.086 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 38.204 -20.677 4.762 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 39.482 -16.595 4.362 1.00 1.00 H new ATOM 0 HH2 TRP A 967 39.335 -18.678 5.702 1.00 1.00 H new ATOM 179 N TRP A 968 35.191 -15.978 -2.191 1.00 1.00 N ATOM 180 CA TRP A 968 35.161 -14.957 -3.234 1.00 1.00 C ATOM 181 C TRP A 968 34.546 -13.664 -2.700 1.00 1.00 C ATOM 182 O TRP A 968 35.065 -12.574 -2.943 1.00 1.00 O ATOM 183 CB TRP A 968 34.350 -15.456 -4.430 1.00 1.00 C ATOM 184 CG TRP A 968 35.094 -16.561 -5.107 1.00 1.00 C ATOM 185 CD1 TRP A 968 34.834 -17.879 -4.952 1.00 1.00 C ATOM 186 CD2 TRP A 968 36.207 -16.470 -6.043 1.00 1.00 C ATOM 187 NE1 TRP A 968 35.720 -18.604 -5.730 1.00 1.00 N ATOM 188 CE2 TRP A 968 36.585 -17.779 -6.423 1.00 1.00 C ATOM 189 CE3 TRP A 968 36.919 -15.388 -6.593 1.00 1.00 C ATOM 190 CZ2 TRP A 968 37.631 -18.008 -7.317 1.00 1.00 C ATOM 191 CZ3 TRP A 968 37.972 -15.615 -7.494 1.00 1.00 C ATOM 192 CH2 TRP A 968 38.327 -16.922 -7.855 1.00 1.00 C ATOM 0 H TRP A 968 34.689 -16.838 -2.414 1.00 1.00 H new ATOM 0 HA TRP A 968 36.185 -14.755 -3.550 1.00 1.00 H new ATOM 0 HB2 TRP A 968 33.373 -15.809 -4.099 1.00 1.00 H new ATOM 0 HB3 TRP A 968 34.173 -14.639 -5.130 1.00 1.00 H new ATOM 0 HD1 TRP A 968 34.061 -18.297 -4.324 1.00 1.00 H new ATOM 0 HE1 TRP A 968 35.733 -19.622 -5.785 1.00 1.00 H new ATOM 0 HE3 TRP A 968 36.654 -14.377 -6.321 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 37.901 -19.017 -7.591 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 38.511 -14.778 -7.911 1.00 1.00 H new ATOM 0 HH2 TRP A 968 39.138 -17.090 -8.548 1.00 1.00 H new ATOM 203 N VAL A 969 33.451 -13.796 -1.954 1.00 1.00 N ATOM 204 CA VAL A 969 32.789 -12.632 -1.366 1.00 1.00 C ATOM 205 C VAL A 969 33.699 -11.965 -0.342 1.00 1.00 C ATOM 206 O VAL A 969 33.803 -10.740 -0.287 1.00 1.00 O ATOM 207 CB VAL A 969 31.473 -13.040 -0.698 1.00 1.00 C ATOM 208 CG1 VAL A 969 30.950 -11.878 0.150 1.00 1.00 C ATOM 209 CG2 VAL A 969 30.436 -13.370 -1.775 1.00 1.00 C ATOM 0 H VAL A 969 33.006 -14.689 -1.743 1.00 1.00 H new ATOM 0 HA VAL A 969 32.573 -11.924 -2.166 1.00 1.00 H new ATOM 0 HB VAL A 969 31.645 -13.912 -0.067 1.00 1.00 H new ATOM 0 HG11 VAL A 969 30.013 -12.168 0.626 1.00 1.00 H new ATOM 0 HG12 VAL A 969 31.684 -11.627 0.916 1.00 1.00 H new ATOM 0 HG13 VAL A 969 30.780 -11.010 -0.487 1.00 1.00 H new ATOM 0 HG21 VAL A 969 29.499 -13.661 -1.301 1.00 1.00 H new ATOM 0 HG22 VAL A 969 30.269 -12.493 -2.401 1.00 1.00 H new ATOM 0 HG23 VAL A 969 30.801 -14.192 -2.392 1.00 1.00 H new ATOM 219 N LEU A 970 34.343 -12.784 0.478 1.00 1.00 N ATOM 220 CA LEU A 970 35.231 -12.275 1.516 1.00 1.00 C ATOM 221 C LEU A 970 36.396 -11.506 0.901 1.00 1.00 C ATOM 222 O LEU A 970 36.791 -10.459 1.408 1.00 1.00 O ATOM 223 CB LEU A 970 35.768 -13.436 2.355 1.00 1.00 C ATOM 224 CG LEU A 970 34.629 -14.041 3.186 1.00 1.00 C ATOM 225 CD1 LEU A 970 35.111 -15.335 3.844 1.00 1.00 C ATOM 226 CD2 LEU A 970 34.178 -13.056 4.274 1.00 1.00 C ATOM 0 H LEU A 970 34.268 -13.801 0.446 1.00 1.00 H new ATOM 0 HA LEU A 970 34.663 -11.597 2.153 1.00 1.00 H new ATOM 0 HB2 LEU A 970 36.202 -14.197 1.706 1.00 1.00 H new ATOM 0 HB3 LEU A 970 36.564 -13.085 3.012 1.00 1.00 H new ATOM 0 HG LEU A 970 33.786 -14.251 2.527 1.00 1.00 H new ATOM 0 HD11 LEU A 970 34.303 -15.766 4.435 1.00 1.00 H new ATOM 0 HD12 LEU A 970 35.415 -16.044 3.074 1.00 1.00 H new ATOM 0 HD13 LEU A 970 35.959 -15.119 4.493 1.00 1.00 H new ATOM 0 HD21 LEU A 970 33.370 -13.500 4.855 1.00 1.00 H new ATOM 0 HD22 LEU A 970 35.017 -12.832 4.933 1.00 1.00 H new ATOM 0 HD23 LEU A 970 33.827 -12.135 3.808 1.00 1.00 H new ATOM 238 N VAL A 971 36.946 -12.026 -0.190 1.00 1.00 N ATOM 239 CA VAL A 971 38.071 -11.368 -0.846 1.00 1.00 C ATOM 240 C VAL A 971 37.669 -9.971 -1.315 1.00 1.00 C ATOM 241 O VAL A 971 38.404 -9.003 -1.110 1.00 1.00 O ATOM 242 CB VAL A 971 38.537 -12.198 -2.043 1.00 1.00 C ATOM 243 CG1 VAL A 971 39.564 -11.401 -2.852 1.00 1.00 C ATOM 244 CG2 VAL A 971 39.179 -13.496 -1.547 1.00 1.00 C ATOM 0 H VAL A 971 36.637 -12.890 -0.635 1.00 1.00 H new ATOM 0 HA VAL A 971 38.888 -11.279 -0.129 1.00 1.00 H new ATOM 0 HB VAL A 971 37.680 -12.433 -2.674 1.00 1.00 H new ATOM 0 HG11 VAL A 971 39.895 -11.994 -3.705 1.00 1.00 H new ATOM 0 HG12 VAL A 971 39.109 -10.477 -3.208 1.00 1.00 H new ATOM 0 HG13 VAL A 971 40.420 -11.164 -2.220 1.00 1.00 H new ATOM 0 HG21 VAL A 971 39.511 -14.087 -2.401 1.00 1.00 H new ATOM 0 HG22 VAL A 971 40.035 -13.260 -0.914 1.00 1.00 H new ATOM 0 HG23 VAL A 971 38.449 -14.066 -0.972 1.00 1.00 H new ATOM 254 N GLY A 972 36.498 -9.867 -1.931 1.00 1.00 N ATOM 255 CA GLY A 972 36.016 -8.575 -2.405 1.00 1.00 C ATOM 256 C GLY A 972 35.784 -7.628 -1.230 1.00 1.00 C ATOM 257 O GLY A 972 36.009 -6.422 -1.333 1.00 1.00 O ATOM 0 H GLY A 972 35.871 -10.651 -2.113 1.00 1.00 H new ATOM 0 HA2 GLY A 972 36.741 -8.140 -3.093 1.00 1.00 H new ATOM 0 HA3 GLY A 972 35.088 -8.708 -2.961 1.00 1.00 H new ATOM 261 N VAL A 973 35.326 -8.188 -0.113 1.00 1.00 N ATOM 262 CA VAL A 973 35.056 -7.396 1.083 1.00 1.00 C ATOM 263 C VAL A 973 36.332 -6.747 1.619 1.00 1.00 C ATOM 264 O VAL A 973 36.332 -5.568 1.972 1.00 1.00 O ATOM 265 CB VAL A 973 34.435 -8.281 2.162 1.00 1.00 C ATOM 266 CG1 VAL A 973 34.368 -7.507 3.480 1.00 1.00 C ATOM 267 CG2 VAL A 973 33.020 -8.682 1.735 1.00 1.00 C ATOM 0 H VAL A 973 35.135 -9.185 -0.012 1.00 1.00 H new ATOM 0 HA VAL A 973 34.359 -6.603 0.813 1.00 1.00 H new ATOM 0 HB VAL A 973 35.044 -9.175 2.296 1.00 1.00 H new ATOM 0 HG11 VAL A 973 33.925 -8.138 4.250 1.00 1.00 H new ATOM 0 HG12 VAL A 973 35.374 -7.217 3.783 1.00 1.00 H new ATOM 0 HG13 VAL A 973 33.757 -6.614 3.347 1.00 1.00 H new ATOM 0 HG21 VAL A 973 32.574 -9.314 2.503 1.00 1.00 H new ATOM 0 HG22 VAL A 973 32.412 -7.787 1.603 1.00 1.00 H new ATOM 0 HG23 VAL A 973 33.066 -9.231 0.795 1.00 1.00 H new ATOM 277 N LEU A 974 37.417 -7.514 1.681 1.00 1.00 N ATOM 278 CA LEU A 974 38.681 -6.975 2.179 1.00 1.00 C ATOM 279 C LEU A 974 39.166 -5.840 1.281 1.00 1.00 C ATOM 280 O LEU A 974 39.662 -4.824 1.770 1.00 1.00 O ATOM 281 CB LEU A 974 39.763 -8.066 2.257 1.00 1.00 C ATOM 282 CG LEU A 974 39.660 -8.869 3.569 1.00 1.00 C ATOM 283 CD1 LEU A 974 38.448 -9.802 3.545 1.00 1.00 C ATOM 284 CD2 LEU A 974 40.929 -9.707 3.736 1.00 1.00 C ATOM 0 H LEU A 974 37.449 -8.494 1.398 1.00 1.00 H new ATOM 0 HA LEU A 974 38.502 -6.593 3.184 1.00 1.00 H new ATOM 0 HB2 LEU A 974 39.663 -8.741 1.407 1.00 1.00 H new ATOM 0 HB3 LEU A 974 40.749 -7.608 2.186 1.00 1.00 H new ATOM 0 HG LEU A 974 39.546 -8.171 4.399 1.00 1.00 H new ATOM 0 HD11 LEU A 974 38.398 -10.357 4.482 1.00 1.00 H new ATOM 0 HD12 LEU A 974 37.538 -9.214 3.422 1.00 1.00 H new ATOM 0 HD13 LEU A 974 38.543 -10.501 2.714 1.00 1.00 H new ATOM 0 HD21 LEU A 974 40.868 -10.280 4.661 1.00 1.00 H new ATOM 0 HD22 LEU A 974 41.028 -10.390 2.892 1.00 1.00 H new ATOM 0 HD23 LEU A 974 41.797 -9.049 3.774 1.00 1.00 H new ATOM 296 N GLY A 975 39.025 -6.014 -0.029 1.00 1.00 N ATOM 297 CA GLY A 975 39.459 -4.984 -0.971 1.00 1.00 C ATOM 298 C GLY A 975 38.682 -3.690 -0.744 1.00 1.00 C ATOM 299 O GLY A 975 39.252 -2.598 -0.773 1.00 1.00 O ATOM 0 H GLY A 975 38.620 -6.845 -0.460 1.00 1.00 H new ATOM 0 HA2 GLY A 975 40.527 -4.800 -0.851 1.00 1.00 H new ATOM 0 HA3 GLY A 975 39.308 -5.331 -1.993 1.00 1.00 H new ATOM 303 N GLY A 976 37.382 -3.822 -0.508 1.00 1.00 N ATOM 304 CA GLY A 976 36.535 -2.660 -0.262 1.00 1.00 C ATOM 305 C GLY A 976 36.947 -1.959 1.029 1.00 1.00 C ATOM 306 O GLY A 976 36.939 -0.730 1.116 1.00 1.00 O ATOM 0 H GLY A 976 36.893 -4.717 -0.482 1.00 1.00 H new ATOM 0 HA2 GLY A 976 36.609 -1.966 -1.099 1.00 1.00 H new ATOM 0 HA3 GLY A 976 35.492 -2.971 -0.197 1.00 1.00 H new ATOM 310 N LEU A 977 37.310 -2.759 2.029 1.00 1.00 N ATOM 311 CA LEU A 977 37.735 -2.231 3.322 1.00 1.00 C ATOM 312 C LEU A 977 38.999 -1.394 3.161 1.00 1.00 C ATOM 313 O LEU A 977 39.139 -0.334 3.770 1.00 1.00 O ATOM 314 CB LEU A 977 37.992 -3.393 4.291 1.00 1.00 C ATOM 315 CG LEU A 977 38.458 -2.868 5.657 1.00 1.00 C ATOM 316 CD1 LEU A 977 37.412 -1.912 6.239 1.00 1.00 C ATOM 317 CD2 LEU A 977 38.644 -4.051 6.610 1.00 1.00 C ATOM 0 H LEU A 977 37.318 -3.777 1.968 1.00 1.00 H new ATOM 0 HA LEU A 977 36.947 -1.594 3.724 1.00 1.00 H new ATOM 0 HB2 LEU A 977 37.081 -3.980 4.413 1.00 1.00 H new ATOM 0 HB3 LEU A 977 38.747 -4.060 3.875 1.00 1.00 H new ATOM 0 HG LEU A 977 39.400 -2.333 5.534 1.00 1.00 H new ATOM 0 HD11 LEU A 977 37.753 -1.546 7.207 1.00 1.00 H new ATOM 0 HD12 LEU A 977 37.272 -1.070 5.561 1.00 1.00 H new ATOM 0 HD13 LEU A 977 36.466 -2.439 6.363 1.00 1.00 H new ATOM 0 HD21 LEU A 977 38.975 -3.686 7.582 1.00 1.00 H new ATOM 0 HD22 LEU A 977 37.697 -4.579 6.724 1.00 1.00 H new ATOM 0 HD23 LEU A 977 39.392 -4.731 6.204 1.00 1.00 H new ATOM 329 N LEU A 978 39.919 -1.882 2.336 1.00 1.00 N ATOM 330 CA LEU A 978 41.175 -1.179 2.100 1.00 1.00 C ATOM 331 C LEU A 978 40.910 0.185 1.471 1.00 1.00 C ATOM 332 O LEU A 978 41.547 1.175 1.829 1.00 1.00 O ATOM 333 CB LEU A 978 42.076 -2.002 1.172 1.00 1.00 C ATOM 334 CG LEU A 978 42.562 -3.257 1.904 1.00 1.00 C ATOM 335 CD1 LEU A 978 43.277 -4.180 0.917 1.00 1.00 C ATOM 336 CD2 LEU A 978 43.529 -2.878 3.035 1.00 1.00 C ATOM 0 H LEU A 978 39.820 -2.757 1.822 1.00 1.00 H new ATOM 0 HA LEU A 978 41.676 -1.040 3.058 1.00 1.00 H new ATOM 0 HB2 LEU A 978 41.528 -2.283 0.273 1.00 1.00 H new ATOM 0 HB3 LEU A 978 42.928 -1.403 0.852 1.00 1.00 H new ATOM 0 HG LEU A 978 41.699 -3.768 2.332 1.00 1.00 H new ATOM 0 HD11 LEU A 978 43.623 -5.073 1.438 1.00 1.00 H new ATOM 0 HD12 LEU A 978 42.588 -4.468 0.123 1.00 1.00 H new ATOM 0 HD13 LEU A 978 44.131 -3.659 0.485 1.00 1.00 H new ATOM 0 HD21 LEU A 978 43.865 -3.781 3.545 1.00 1.00 H new ATOM 0 HD22 LEU A 978 44.390 -2.356 2.618 1.00 1.00 H new ATOM 0 HD23 LEU A 978 43.020 -2.228 3.746 1.00 1.00 H new ATOM 348 N LEU A 979 39.970 0.235 0.532 1.00 1.00 N ATOM 349 CA LEU A 979 39.643 1.492 -0.134 1.00 1.00 C ATOM 350 C LEU A 979 39.123 2.524 0.863 1.00 1.00 C ATOM 351 O LEU A 979 39.529 3.687 0.827 1.00 1.00 O ATOM 352 CB LEU A 979 38.595 1.233 -1.228 1.00 1.00 C ATOM 353 CG LEU A 979 38.132 2.560 -1.849 1.00 1.00 C ATOM 354 CD1 LEU A 979 39.331 3.338 -2.378 1.00 1.00 C ATOM 355 CD2 LEU A 979 37.182 2.281 -3.013 1.00 1.00 C ATOM 0 H LEU A 979 39.427 -0.569 0.218 1.00 1.00 H new ATOM 0 HA LEU A 979 40.550 1.894 -0.586 1.00 1.00 H new ATOM 0 HB2 LEU A 979 39.017 0.590 -2.000 1.00 1.00 H new ATOM 0 HB3 LEU A 979 37.741 0.704 -0.805 1.00 1.00 H new ATOM 0 HG LEU A 979 37.624 3.144 -1.081 1.00 1.00 H new ATOM 0 HD11 LEU A 979 38.991 4.277 -2.816 1.00 1.00 H new ATOM 0 HD12 LEU A 979 40.019 3.548 -1.559 1.00 1.00 H new ATOM 0 HD13 LEU A 979 39.842 2.747 -3.138 1.00 1.00 H new ATOM 0 HD21 LEU A 979 36.856 3.225 -3.451 1.00 1.00 H new ATOM 0 HD22 LEU A 979 37.697 1.689 -3.769 1.00 1.00 H new ATOM 0 HD23 LEU A 979 36.314 1.730 -2.650 1.00 1.00 H new ATOM 367 N LEU A 980 38.239 2.101 1.757 1.00 1.00 N ATOM 368 CA LEU A 980 37.693 3.014 2.757 1.00 1.00 C ATOM 369 C LEU A 980 38.800 3.510 3.684 1.00 1.00 C ATOM 370 O LEU A 980 38.849 4.688 4.036 1.00 1.00 O ATOM 371 CB LEU A 980 36.596 2.314 3.570 1.00 1.00 C ATOM 372 CG LEU A 980 36.030 3.260 4.639 1.00 1.00 C ATOM 373 CD1 LEU A 980 35.486 4.532 3.981 1.00 1.00 C ATOM 374 CD2 LEU A 980 34.892 2.555 5.381 1.00 1.00 C ATOM 0 H LEU A 980 37.887 1.145 1.812 1.00 1.00 H new ATOM 0 HA LEU A 980 37.258 3.872 2.244 1.00 1.00 H new ATOM 0 HB2 LEU A 980 35.796 1.987 2.906 1.00 1.00 H new ATOM 0 HB3 LEU A 980 37.002 1.421 4.045 1.00 1.00 H new ATOM 0 HG LEU A 980 36.824 3.528 5.336 1.00 1.00 H new ATOM 0 HD11 LEU A 980 35.087 5.196 4.748 1.00 1.00 H new ATOM 0 HD12 LEU A 980 36.290 5.037 3.446 1.00 1.00 H new ATOM 0 HD13 LEU A 980 34.693 4.269 3.281 1.00 1.00 H new ATOM 0 HD21 LEU A 980 34.486 3.222 6.142 1.00 1.00 H new ATOM 0 HD22 LEU A 980 34.106 2.289 4.674 1.00 1.00 H new ATOM 0 HD23 LEU A 980 35.273 1.651 5.857 1.00 1.00 H new ATOM 386 N THR A 981 39.677 2.594 4.080 1.00 1.00 N ATOM 387 CA THR A 981 40.779 2.930 4.977 1.00 1.00 C ATOM 388 C THR A 981 41.716 3.952 4.339 1.00 1.00 C ATOM 389 O THR A 981 42.126 4.917 4.985 1.00 1.00 O ATOM 390 CB THR A 981 41.568 1.665 5.322 1.00 1.00 C ATOM 391 OG1 THR A 981 40.720 0.751 6.003 1.00 1.00 O ATOM 392 CG2 THR A 981 42.757 2.028 6.218 1.00 1.00 C ATOM 0 H THR A 981 39.647 1.615 3.795 1.00 1.00 H new ATOM 0 HA THR A 981 40.358 3.365 5.883 1.00 1.00 H new ATOM 0 HB THR A 981 41.936 1.205 4.405 1.00 1.00 H new ATOM 0 HG1 THR A 981 40.127 0.312 5.358 1.00 1.00 H new ATOM 0 HG21 THR A 981 43.317 1.126 6.462 1.00 1.00 H new ATOM 0 HG22 THR A 981 43.407 2.728 5.694 1.00 1.00 H new ATOM 0 HG23 THR A 981 42.393 2.489 7.136 1.00 1.00 H new ATOM 400 N ILE A 982 42.060 3.731 3.075 1.00 1.00 N ATOM 401 CA ILE A 982 42.958 4.638 2.372 1.00 1.00 C ATOM 402 C ILE A 982 42.335 6.025 2.239 1.00 1.00 C ATOM 403 O ILE A 982 43.006 7.035 2.453 1.00 1.00 O ATOM 404 CB ILE A 982 43.279 4.086 0.980 1.00 1.00 C ATOM 405 CG1 ILE A 982 44.128 2.819 1.121 1.00 1.00 C ATOM 406 CG2 ILE A 982 44.057 5.134 0.184 1.00 1.00 C ATOM 407 CD1 ILE A 982 44.225 2.110 -0.231 1.00 1.00 C ATOM 0 H ILE A 982 41.734 2.939 2.521 1.00 1.00 H new ATOM 0 HA ILE A 982 43.877 4.722 2.952 1.00 1.00 H new ATOM 0 HB ILE A 982 42.352 3.848 0.458 1.00 1.00 H new ATOM 0 HG12 ILE A 982 45.125 3.076 1.480 1.00 1.00 H new ATOM 0 HG13 ILE A 982 43.684 2.153 1.861 1.00 1.00 H new ATOM 0 HG21 ILE A 982 44.286 4.742 -0.807 1.00 1.00 H new ATOM 0 HG22 ILE A 982 43.455 6.038 0.087 1.00 1.00 H new ATOM 0 HG23 ILE A 982 44.985 5.371 0.704 1.00 1.00 H new ATOM 0 HD11 ILE A 982 44.830 1.209 -0.127 1.00 1.00 H new ATOM 0 HD12 ILE A 982 43.226 1.839 -0.572 1.00 1.00 H new ATOM 0 HD13 ILE A 982 44.689 2.776 -0.959 1.00 1.00 H new ATOM 419 N LEU A 983 41.055 6.070 1.886 1.00 1.00 N ATOM 420 CA LEU A 983 40.366 7.348 1.732 1.00 1.00 C ATOM 421 C LEU A 983 40.331 8.098 3.061 1.00 1.00 C ATOM 422 O LEU A 983 40.568 9.306 3.112 1.00 1.00 O ATOM 423 CB LEU A 983 38.938 7.106 1.228 1.00 1.00 C ATOM 424 CG LEU A 983 38.187 8.438 1.074 1.00 1.00 C ATOM 425 CD1 LEU A 983 38.947 9.363 0.119 1.00 1.00 C ATOM 426 CD2 LEU A 983 36.788 8.170 0.510 1.00 1.00 C ATOM 0 H LEU A 983 40.479 5.248 1.703 1.00 1.00 H new ATOM 0 HA LEU A 983 40.907 7.955 1.006 1.00 1.00 H new ATOM 0 HB2 LEU A 983 38.968 6.586 0.271 1.00 1.00 H new ATOM 0 HB3 LEU A 983 38.405 6.460 1.925 1.00 1.00 H new ATOM 0 HG LEU A 983 38.108 8.917 2.050 1.00 1.00 H new ATOM 0 HD11 LEU A 983 38.406 10.304 0.017 1.00 1.00 H new ATOM 0 HD12 LEU A 983 39.943 9.558 0.517 1.00 1.00 H new ATOM 0 HD13 LEU A 983 39.033 8.886 -0.857 1.00 1.00 H new ATOM 0 HD21 LEU A 983 36.253 9.113 0.400 1.00 1.00 H new ATOM 0 HD22 LEU A 983 36.874 7.686 -0.463 1.00 1.00 H new ATOM 0 HD23 LEU A 983 36.240 7.519 1.191 1.00 1.00 H new ATOM 438 N VAL A 984 40.038 7.372 4.133 1.00 1.00 N ATOM 439 CA VAL A 984 39.975 7.969 5.462 1.00 1.00 C ATOM 440 C VAL A 984 41.344 8.501 5.878 1.00 1.00 C ATOM 441 O VAL A 984 41.459 9.604 6.413 1.00 1.00 O ATOM 442 CB VAL A 984 39.499 6.925 6.475 1.00 1.00 C ATOM 443 CG1 VAL A 984 39.623 7.489 7.892 1.00 1.00 C ATOM 444 CG2 VAL A 984 38.036 6.575 6.194 1.00 1.00 C ATOM 0 H VAL A 984 39.841 6.372 4.109 1.00 1.00 H new ATOM 0 HA VAL A 984 39.271 8.801 5.436 1.00 1.00 H new ATOM 0 HB VAL A 984 40.114 6.029 6.387 1.00 1.00 H new ATOM 0 HG11 VAL A 984 39.283 6.744 8.611 1.00 1.00 H new ATOM 0 HG12 VAL A 984 40.664 7.740 8.094 1.00 1.00 H new ATOM 0 HG13 VAL A 984 39.010 8.386 7.982 1.00 1.00 H new ATOM 0 HG21 VAL A 984 37.695 5.831 6.914 1.00 1.00 H new ATOM 0 HG22 VAL A 984 37.424 7.473 6.282 1.00 1.00 H new ATOM 0 HG23 VAL A 984 37.946 6.171 5.186 1.00 1.00 H new ATOM 454 N LEU A 985 42.376 7.701 5.638 1.00 1.00 N ATOM 455 CA LEU A 985 43.735 8.087 5.998 1.00 1.00 C ATOM 456 C LEU A 985 44.171 9.338 5.238 1.00 1.00 C ATOM 457 O LEU A 985 44.795 10.231 5.809 1.00 1.00 O ATOM 458 CB LEU A 985 44.694 6.927 5.692 1.00 1.00 C ATOM 459 CG LEU A 985 46.139 7.317 6.035 1.00 1.00 C ATOM 460 CD1 LEU A 985 46.235 7.722 7.506 1.00 1.00 C ATOM 461 CD2 LEU A 985 47.056 6.120 5.779 1.00 1.00 C ATOM 0 H LEU A 985 42.299 6.784 5.197 1.00 1.00 H new ATOM 0 HA LEU A 985 43.760 8.314 7.064 1.00 1.00 H new ATOM 0 HB2 LEU A 985 44.403 6.047 6.265 1.00 1.00 H new ATOM 0 HB3 LEU A 985 44.624 6.659 4.638 1.00 1.00 H new ATOM 0 HG LEU A 985 46.443 8.158 5.412 1.00 1.00 H new ATOM 0 HD11 LEU A 985 47.263 7.997 7.741 1.00 1.00 H new ATOM 0 HD12 LEU A 985 45.580 8.573 7.693 1.00 1.00 H new ATOM 0 HD13 LEU A 985 45.931 6.885 8.134 1.00 1.00 H new ATOM 0 HD21 LEU A 985 48.084 6.391 6.021 1.00 1.00 H new ATOM 0 HD22 LEU A 985 46.745 5.283 6.404 1.00 1.00 H new ATOM 0 HD23 LEU A 985 46.994 5.832 4.730 1.00 1.00 H new ATOM 473 N ALA A 986 43.854 9.395 3.950 1.00 1.00 N ATOM 474 CA ALA A 986 44.245 10.544 3.139 1.00 1.00 C ATOM 475 C ALA A 986 43.597 11.829 3.656 1.00 1.00 C ATOM 476 O ALA A 986 44.245 12.876 3.723 1.00 1.00 O ATOM 477 CB ALA A 986 43.835 10.313 1.682 1.00 1.00 C ATOM 0 H ALA A 986 43.336 8.673 3.450 1.00 1.00 H new ATOM 0 HA ALA A 986 45.327 10.654 3.204 1.00 1.00 H new ATOM 0 HB1 ALA A 986 44.129 11.173 1.081 1.00 1.00 H new ATOM 0 HB2 ALA A 986 44.329 9.419 1.302 1.00 1.00 H new ATOM 0 HB3 ALA A 986 42.754 10.182 1.624 1.00 1.00 H new ATOM 483 N MET A 987 42.321 11.752 4.027 1.00 1.00 N ATOM 484 CA MET A 987 41.625 12.936 4.537 1.00 1.00 C ATOM 485 C MET A 987 42.231 13.382 5.869 1.00 1.00 C ATOM 486 O MET A 987 42.399 14.577 6.127 1.00 1.00 O ATOM 487 CB MET A 987 40.134 12.645 4.711 1.00 1.00 C ATOM 488 CG MET A 987 39.500 12.453 3.331 1.00 1.00 C ATOM 489 SD MET A 987 37.749 12.017 3.510 1.00 1.00 S ATOM 490 CE MET A 987 37.148 13.627 4.082 1.00 1.00 C ATOM 0 H MET A 987 41.756 10.904 3.987 1.00 1.00 H new ATOM 0 HA MET A 987 41.743 13.741 3.812 1.00 1.00 H new ATOM 0 HB2 MET A 987 39.993 11.751 5.318 1.00 1.00 H new ATOM 0 HB3 MET A 987 39.649 13.467 5.237 1.00 1.00 H new ATOM 0 HG2 MET A 987 39.598 13.368 2.746 1.00 1.00 H new ATOM 0 HG3 MET A 987 40.025 11.668 2.786 1.00 1.00 H new ATOM 0 HE1 MET A 987 36.058 13.629 4.084 1.00 1.00 H new ATOM 0 HE2 MET A 987 37.513 13.814 5.092 1.00 1.00 H new ATOM 0 HE3 MET A 987 37.511 14.409 3.415 1.00 1.00 H new ATOM 500 N TRP A 988 42.567 12.409 6.708 1.00 1.00 N ATOM 501 CA TRP A 988 43.169 12.708 8.009 1.00 1.00 C ATOM 502 C TRP A 988 44.546 13.347 7.820 1.00 1.00 C ATOM 503 O TRP A 988 44.924 14.279 8.530 1.00 1.00 O ATOM 504 CB TRP A 988 43.299 11.424 8.837 1.00 1.00 C ATOM 505 CG TRP A 988 44.164 11.667 10.037 1.00 1.00 C ATOM 506 CD1 TRP A 988 44.269 12.840 10.711 1.00 1.00 C ATOM 507 CD2 TRP A 988 45.047 10.728 10.715 1.00 1.00 C ATOM 508 NE1 TRP A 988 45.162 12.677 11.755 1.00 1.00 N ATOM 509 CE2 TRP A 988 45.668 11.393 11.800 1.00 1.00 C ATOM 510 CE3 TRP A 988 45.366 9.376 10.496 1.00 1.00 C ATOM 511 CZ2 TRP A 988 46.574 10.737 12.635 1.00 1.00 C ATOM 512 CZ3 TRP A 988 46.276 8.714 11.335 1.00 1.00 C ATOM 513 CH2 TRP A 988 46.879 9.393 12.402 1.00 1.00 C ATOM 0 H TRP A 988 42.436 11.416 6.517 1.00 1.00 H new ATOM 0 HA TRP A 988 42.524 13.409 8.539 1.00 1.00 H new ATOM 0 HB2 TRP A 988 42.312 11.085 9.153 1.00 1.00 H new ATOM 0 HB3 TRP A 988 43.728 10.630 8.225 1.00 1.00 H new ATOM 0 HD1 TRP A 988 43.742 13.752 10.472 1.00 1.00 H new ATOM 0 HE1 TRP A 988 45.416 13.415 12.411 1.00 1.00 H new ATOM 0 HE3 TRP A 988 44.907 8.843 9.676 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 47.036 11.265 13.456 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 46.513 7.675 11.157 1.00 1.00 H new ATOM 0 HH2 TRP A 988 47.579 8.878 13.044 1.00 1.00 H new ATOM 524 N LYS A 989 45.290 12.825 6.855 1.00 1.00 N ATOM 525 CA LYS A 989 46.637 13.319 6.568 1.00 1.00 C ATOM 526 C LYS A 989 46.574 14.721 5.957 1.00 1.00 C ATOM 527 O LYS A 989 47.595 15.395 5.823 1.00 1.00 O ATOM 528 CB LYS A 989 47.336 12.373 5.577 1.00 1.00 C ATOM 529 CG LYS A 989 48.514 11.618 6.238 1.00 1.00 C ATOM 530 CD LYS A 989 49.829 12.424 6.171 1.00 1.00 C ATOM 531 CE LYS A 989 49.889 13.479 7.282 1.00 1.00 C ATOM 532 NZ LYS A 989 51.282 13.991 7.396 1.00 1.00 N ATOM 0 H LYS A 989 44.986 12.058 6.255 1.00 1.00 H new ATOM 0 HA LYS A 989 47.197 13.360 7.503 1.00 1.00 H new ATOM 0 HB2 LYS A 989 46.614 11.654 5.190 1.00 1.00 H new ATOM 0 HB3 LYS A 989 47.703 12.945 4.725 1.00 1.00 H new ATOM 0 HG2 LYS A 989 48.271 11.407 7.279 1.00 1.00 H new ATOM 0 HG3 LYS A 989 48.652 10.657 5.742 1.00 1.00 H new ATOM 0 HD2 LYS A 989 50.679 11.747 6.262 1.00 1.00 H new ATOM 0 HD3 LYS A 989 49.912 12.910 5.199 1.00 1.00 H new ATOM 0 HE2 LYS A 989 49.205 14.298 7.060 1.00 1.00 H new ATOM 0 HE3 LYS A 989 49.570 13.045 8.230 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 51.328 14.707 8.149 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 51.923 13.205 7.626 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 51.570 14.419 6.493 1.00 1.00 H new ATOM 546 N VAL A 990 45.378 15.159 5.577 1.00 1.00 N ATOM 547 CA VAL A 990 45.225 16.480 4.979 1.00 1.00 C ATOM 548 C VAL A 990 45.007 17.524 6.065 1.00 1.00 C ATOM 549 O VAL A 990 45.164 18.723 5.834 1.00 1.00 O ATOM 550 CB VAL A 990 44.046 16.491 4.002 1.00 1.00 C ATOM 551 CG1 VAL A 990 43.678 17.937 3.665 1.00 1.00 C ATOM 552 CG2 VAL A 990 44.437 15.759 2.714 1.00 1.00 C ATOM 0 H VAL A 990 44.512 14.628 5.670 1.00 1.00 H new ATOM 0 HA VAL A 990 46.136 16.720 4.431 1.00 1.00 H new ATOM 0 HB VAL A 990 43.194 15.991 4.461 1.00 1.00 H new ATOM 0 HG11 VAL A 990 42.839 17.946 2.969 1.00 1.00 H new ATOM 0 HG12 VAL A 990 43.399 18.464 4.578 1.00 1.00 H new ATOM 0 HG13 VAL A 990 44.534 18.433 3.207 1.00 1.00 H new ATOM 0 HG21 VAL A 990 43.596 15.768 2.021 1.00 1.00 H new ATOM 0 HG22 VAL A 990 45.290 16.259 2.256 1.00 1.00 H new ATOM 0 HG23 VAL A 990 44.703 14.728 2.948 1.00 1.00 H new ATOM 562 N GLY A 991 44.649 17.056 7.254 1.00 1.00 N ATOM 563 CA GLY A 991 44.414 17.949 8.379 1.00 1.00 C ATOM 564 C GLY A 991 42.998 18.497 8.346 1.00 1.00 C ATOM 565 O GLY A 991 42.658 19.411 9.097 1.00 1.00 O ATOM 0 H GLY A 991 44.516 16.067 7.463 1.00 1.00 H new ATOM 0 HA2 GLY A 991 44.580 17.414 9.314 1.00 1.00 H new ATOM 0 HA3 GLY A 991 45.128 18.772 8.351 1.00 1.00 H new ATOM 569 N PHE A 992 42.171 17.930 7.475 1.00 1.00 N ATOM 570 CA PHE A 992 40.791 18.378 7.365 1.00 1.00 C ATOM 571 C PHE A 992 40.047 18.178 8.677 1.00 1.00 C ATOM 572 O PHE A 992 39.286 19.046 9.107 1.00 1.00 O ATOM 573 CB PHE A 992 40.071 17.620 6.247 1.00 1.00 C ATOM 574 CG PHE A 992 38.576 17.909 6.270 1.00 1.00 C ATOM 575 CD1 PHE A 992 38.068 19.157 6.688 1.00 1.00 C ATOM 576 CD2 PHE A 992 37.687 16.901 5.876 1.00 1.00 C ATOM 577 CE1 PHE A 992 36.688 19.380 6.708 1.00 1.00 C ATOM 578 CE2 PHE A 992 36.306 17.131 5.895 1.00 1.00 C ATOM 579 CZ PHE A 992 35.809 18.370 6.312 1.00 1.00 C ATOM 0 H PHE A 992 42.428 17.171 6.844 1.00 1.00 H new ATOM 0 HA PHE A 992 40.803 19.442 7.129 1.00 1.00 H new ATOM 0 HB2 PHE A 992 40.486 17.908 5.281 1.00 1.00 H new ATOM 0 HB3 PHE A 992 40.240 16.549 6.361 1.00 1.00 H new ATOM 0 HD1 PHE A 992 38.746 19.941 6.993 1.00 1.00 H new ATOM 0 HD2 PHE A 992 38.068 15.942 5.556 1.00 1.00 H new ATOM 0 HE1 PHE A 992 36.301 20.335 7.030 1.00 1.00 H new ATOM 0 HE2 PHE A 992 35.625 16.352 5.588 1.00 1.00 H new ATOM 0 HZ PHE A 992 34.744 18.546 6.328 1.00 1.00 H new ATOM 589 N PHE A 993 40.260 17.029 9.309 1.00 1.00 N ATOM 590 CA PHE A 993 39.584 16.741 10.571 1.00 1.00 C ATOM 591 C PHE A 993 40.375 17.293 11.750 1.00 1.00 C ATOM 592 O PHE A 993 39.941 17.196 12.898 1.00 1.00 O ATOM 593 CB PHE A 993 39.389 15.233 10.747 1.00 1.00 C ATOM 594 CG PHE A 993 38.438 14.723 9.690 1.00 1.00 C ATOM 595 CD1 PHE A 993 37.096 15.123 9.708 1.00 1.00 C ATOM 596 CD2 PHE A 993 38.893 13.846 8.699 1.00 1.00 C ATOM 597 CE1 PHE A 993 36.210 14.646 8.734 1.00 1.00 C ATOM 598 CE2 PHE A 993 38.007 13.369 7.726 1.00 1.00 C ATOM 599 CZ PHE A 993 36.666 13.770 7.744 1.00 1.00 C ATOM 0 H PHE A 993 40.883 16.293 8.977 1.00 1.00 H new ATOM 0 HA PHE A 993 38.609 17.227 10.543 1.00 1.00 H new ATOM 0 HB2 PHE A 993 40.347 14.720 10.668 1.00 1.00 H new ATOM 0 HB3 PHE A 993 38.994 15.020 11.740 1.00 1.00 H new ATOM 0 HD1 PHE A 993 36.744 15.799 10.473 1.00 1.00 H new ATOM 0 HD2 PHE A 993 39.928 13.537 8.685 1.00 1.00 H new ATOM 0 HE1 PHE A 993 35.175 14.955 8.747 1.00 1.00 H new ATOM 0 HE2 PHE A 993 38.358 12.692 6.961 1.00 1.00 H new ATOM 0 HZ PHE A 993 35.983 13.402 6.993 1.00 1.00 H new ATOM 609 N LYS A 994 41.528 17.883 11.457 1.00 1.00 N ATOM 610 CA LYS A 994 42.369 18.465 12.498 1.00 1.00 C ATOM 611 C LYS A 994 42.450 19.977 12.315 1.00 1.00 C ATOM 612 O LYS A 994 42.719 20.462 11.216 1.00 1.00 O ATOM 613 CB LYS A 994 43.773 17.862 12.437 1.00 1.00 C ATOM 614 CG LYS A 994 44.615 18.407 13.594 1.00 1.00 C ATOM 615 CD LYS A 994 45.999 17.757 13.565 1.00 1.00 C ATOM 616 CE LYS A 994 46.836 18.288 14.731 1.00 1.00 C ATOM 617 NZ LYS A 994 48.179 17.642 14.713 1.00 1.00 N ATOM 0 H LYS A 994 41.901 17.971 10.512 1.00 1.00 H new ATOM 0 HA LYS A 994 41.929 18.244 13.471 1.00 1.00 H new ATOM 0 HB2 LYS A 994 43.716 16.775 12.495 1.00 1.00 H new ATOM 0 HB3 LYS A 994 44.244 18.106 11.485 1.00 1.00 H new ATOM 0 HG2 LYS A 994 44.708 19.490 13.512 1.00 1.00 H new ATOM 0 HG3 LYS A 994 44.124 18.200 14.545 1.00 1.00 H new ATOM 0 HD2 LYS A 994 45.905 16.673 13.635 1.00 1.00 H new ATOM 0 HD3 LYS A 994 46.495 17.974 12.619 1.00 1.00 H new ATOM 0 HE2 LYS A 994 46.940 19.370 14.655 1.00 1.00 H new ATOM 0 HE3 LYS A 994 46.334 18.082 15.676 1.00 1.00 H new ATOM 0 HZ1 LYS A 994 48.748 18.002 15.505 1.00 1.00 H new ATOM 0 HZ2 LYS A 994 48.070 16.612 14.806 1.00 1.00 H new ATOM 0 HZ3 LYS A 994 48.657 17.860 13.816 1.00 1.00 H new ATOM 631 N ARG A 995 42.222 20.715 13.396 1.00 1.00 N ATOM 632 CA ARG A 995 42.278 22.165 13.346 1.00 1.00 C ATOM 633 C ARG A 995 43.129 22.663 14.500 1.00 1.00 C ATOM 634 O ARG A 995 43.228 21.997 15.530 1.00 1.00 O ATOM 635 CB ARG A 995 40.873 22.765 13.454 1.00 1.00 C ATOM 636 CG ARG A 995 40.015 22.345 12.262 1.00 1.00 C ATOM 637 CD ARG A 995 38.692 23.113 12.323 1.00 1.00 C ATOM 638 NE ARG A 995 37.955 22.761 13.532 1.00 1.00 N ATOM 639 CZ ARG A 995 37.117 21.732 13.558 1.00 1.00 C ATOM 640 NH1 ARG A 995 36.892 21.040 12.476 1.00 1.00 N ATOM 641 NH2 ARG A 995 36.506 21.421 14.668 1.00 1.00 N ATOM 0 H ARG A 995 41.997 20.331 14.314 1.00 1.00 H new ATOM 0 HA ARG A 995 42.713 22.472 12.395 1.00 1.00 H new ATOM 0 HB2 ARG A 995 40.402 22.437 14.381 1.00 1.00 H new ATOM 0 HB3 ARG A 995 40.938 23.852 13.497 1.00 1.00 H new ATOM 0 HG2 ARG A 995 40.534 22.558 11.328 1.00 1.00 H new ATOM 0 HG3 ARG A 995 39.831 21.271 12.287 1.00 1.00 H new ATOM 0 HD2 ARG A 995 38.886 24.186 12.307 1.00 1.00 H new ATOM 0 HD3 ARG A 995 38.091 22.884 11.443 1.00 1.00 H new ATOM 0 HE ARG A 995 38.087 23.318 14.376 1.00 1.00 H new ATOM 0 HH11 ARG A 995 37.361 21.289 11.605 1.00 1.00 H new ATOM 0 HH12 ARG A 995 36.247 20.250 12.501 1.00 1.00 H new ATOM 0 HH21 ARG A 995 36.673 21.968 15.513 1.00 1.00 H new ATOM 0 HH22 ARG A 995 35.861 20.631 14.691 1.00 1.00 H new ATOM 808 N ASP B 692 26.960 -16.961 -11.824 1.00 1.00 N ATOM 809 CA ASP B 692 26.204 -16.670 -10.607 1.00 1.00 C ATOM 810 C ASP B 692 27.136 -16.081 -9.546 1.00 1.00 C ATOM 811 O ASP B 692 26.769 -15.141 -8.837 1.00 1.00 O ATOM 812 CB ASP B 692 25.574 -17.961 -10.064 1.00 1.00 C ATOM 813 CG ASP B 692 24.238 -18.238 -10.757 1.00 1.00 C ATOM 814 OD1 ASP B 692 23.806 -17.408 -11.538 1.00 1.00 O ATOM 815 OD2 ASP B 692 23.674 -19.291 -10.507 1.00 1.00 O ATOM 0 HA ASP B 692 25.419 -15.952 -10.842 1.00 1.00 H new ATOM 0 HB2 ASP B 692 26.253 -18.799 -10.222 1.00 1.00 H new ATOM 0 HB3 ASP B 692 25.421 -17.874 -8.988 1.00 1.00 H new ATOM 820 N ILE B 693 28.343 -16.632 -9.447 1.00 1.00 N ATOM 821 CA ILE B 693 29.310 -16.149 -8.467 1.00 1.00 C ATOM 822 C ILE B 693 29.747 -14.717 -8.783 1.00 1.00 C ATOM 823 O ILE B 693 29.939 -13.899 -7.883 1.00 1.00 O ATOM 824 CB ILE B 693 30.544 -17.057 -8.432 1.00 1.00 C ATOM 825 CG1 ILE B 693 31.431 -16.637 -7.254 1.00 1.00 C ATOM 826 CG2 ILE B 693 31.330 -16.908 -9.735 1.00 1.00 C ATOM 827 CD1 ILE B 693 32.523 -17.682 -7.003 1.00 1.00 C ATOM 0 H ILE B 693 28.672 -17.404 -10.026 1.00 1.00 H new ATOM 0 HA ILE B 693 28.822 -16.163 -7.492 1.00 1.00 H new ATOM 0 HB ILE B 693 30.234 -18.096 -8.317 1.00 1.00 H new ATOM 0 HG12 ILE B 693 31.887 -15.669 -7.462 1.00 1.00 H new ATOM 0 HG13 ILE B 693 30.822 -16.517 -6.358 1.00 1.00 H new ATOM 0 HG21 ILE B 693 32.207 -17.555 -9.707 1.00 1.00 H new ATOM 0 HG22 ILE B 693 30.697 -17.191 -10.576 1.00 1.00 H new ATOM 0 HG23 ILE B 693 31.647 -15.872 -9.852 1.00 1.00 H new ATOM 0 HD11 ILE B 693 33.142 -17.367 -6.163 1.00 1.00 H new ATOM 0 HD12 ILE B 693 32.062 -18.642 -6.773 1.00 1.00 H new ATOM 0 HD13 ILE B 693 33.143 -17.782 -7.894 1.00 1.00 H new ATOM 839 N LEU B 694 29.934 -14.430 -10.064 1.00 1.00 N ATOM 840 CA LEU B 694 30.379 -13.105 -10.487 1.00 1.00 C ATOM 841 C LEU B 694 29.360 -12.028 -10.116 1.00 1.00 C ATOM 842 O LEU B 694 29.733 -10.948 -9.662 1.00 1.00 O ATOM 843 CB LEU B 694 30.616 -13.101 -12.005 1.00 1.00 C ATOM 844 CG LEU B 694 31.079 -11.714 -12.481 1.00 1.00 C ATOM 845 CD1 LEU B 694 32.363 -11.309 -11.752 1.00 1.00 C ATOM 846 CD2 LEU B 694 31.349 -11.760 -13.988 1.00 1.00 C ATOM 0 H LEU B 694 29.786 -15.091 -10.826 1.00 1.00 H new ATOM 0 HA LEU B 694 31.310 -12.877 -9.968 1.00 1.00 H new ATOM 0 HB2 LEU B 694 31.367 -13.848 -12.263 1.00 1.00 H new ATOM 0 HB3 LEU B 694 29.698 -13.380 -12.522 1.00 1.00 H new ATOM 0 HG LEU B 694 30.299 -10.984 -12.264 1.00 1.00 H new ATOM 0 HD11 LEU B 694 32.682 -10.325 -12.097 1.00 1.00 H new ATOM 0 HD12 LEU B 694 32.177 -11.275 -10.679 1.00 1.00 H new ATOM 0 HD13 LEU B 694 33.146 -12.038 -11.961 1.00 1.00 H new ATOM 0 HD21 LEU B 694 31.677 -10.778 -14.329 1.00 1.00 H new ATOM 0 HD22 LEU B 694 32.126 -12.495 -14.196 1.00 1.00 H new ATOM 0 HD23 LEU B 694 30.436 -12.039 -14.513 1.00 1.00 H new ATOM 858 N VAL B 695 28.078 -12.316 -10.327 1.00 1.00 N ATOM 859 CA VAL B 695 27.034 -11.340 -10.027 1.00 1.00 C ATOM 860 C VAL B 695 26.996 -10.988 -8.538 1.00 1.00 C ATOM 861 O VAL B 695 26.942 -9.813 -8.173 1.00 1.00 O ATOM 862 CB VAL B 695 25.673 -11.890 -10.449 1.00 1.00 C ATOM 863 CG1 VAL B 695 24.570 -10.965 -9.933 1.00 1.00 C ATOM 864 CG2 VAL B 695 25.608 -11.963 -11.978 1.00 1.00 C ATOM 0 H VAL B 695 27.740 -13.204 -10.699 1.00 1.00 H new ATOM 0 HA VAL B 695 27.262 -10.432 -10.585 1.00 1.00 H new ATOM 0 HB VAL B 695 25.535 -12.887 -10.031 1.00 1.00 H new ATOM 0 HG11 VAL B 695 23.598 -11.356 -10.233 1.00 1.00 H new ATOM 0 HG12 VAL B 695 24.620 -10.911 -8.845 1.00 1.00 H new ATOM 0 HG13 VAL B 695 24.706 -9.968 -10.352 1.00 1.00 H new ATOM 0 HG21 VAL B 695 24.638 -12.355 -12.283 1.00 1.00 H new ATOM 0 HG22 VAL B 695 25.744 -10.966 -12.396 1.00 1.00 H new ATOM 0 HG23 VAL B 695 26.396 -12.620 -12.345 1.00 1.00 H new ATOM 874 N VAL B 696 27.033 -12.003 -7.682 1.00 1.00 N ATOM 875 CA VAL B 696 27.007 -11.773 -6.237 1.00 1.00 C ATOM 876 C VAL B 696 28.275 -11.062 -5.775 1.00 1.00 C ATOM 877 O VAL B 696 28.224 -10.190 -4.907 1.00 1.00 O ATOM 878 CB VAL B 696 26.834 -13.084 -5.473 1.00 1.00 C ATOM 879 CG1 VAL B 696 25.443 -13.656 -5.760 1.00 1.00 C ATOM 880 CG2 VAL B 696 27.894 -14.077 -5.930 1.00 1.00 C ATOM 0 H VAL B 696 27.081 -12.984 -7.957 1.00 1.00 H new ATOM 0 HA VAL B 696 26.151 -11.134 -6.023 1.00 1.00 H new ATOM 0 HB VAL B 696 26.941 -12.903 -4.404 1.00 1.00 H new ATOM 0 HG11 VAL B 696 25.315 -14.592 -5.216 1.00 1.00 H new ATOM 0 HG12 VAL B 696 24.683 -12.943 -5.439 1.00 1.00 H new ATOM 0 HG13 VAL B 696 25.339 -13.840 -6.829 1.00 1.00 H new ATOM 0 HG21 VAL B 696 27.773 -15.014 -5.386 1.00 1.00 H new ATOM 0 HG22 VAL B 696 27.784 -14.261 -6.999 1.00 1.00 H new ATOM 0 HG23 VAL B 696 28.885 -13.668 -5.732 1.00 1.00 H new ATOM 890 N LEU B 697 29.413 -11.457 -6.345 1.00 1.00 N ATOM 891 CA LEU B 697 30.691 -10.859 -5.969 1.00 1.00 C ATOM 892 C LEU B 697 30.698 -9.360 -6.279 1.00 1.00 C ATOM 893 O LEU B 697 31.147 -8.551 -5.466 1.00 1.00 O ATOM 894 CB LEU B 697 31.821 -11.552 -6.739 1.00 1.00 C ATOM 895 CG LEU B 697 33.178 -10.934 -6.380 1.00 1.00 C ATOM 896 CD1 LEU B 697 33.425 -11.045 -4.872 1.00 1.00 C ATOM 897 CD2 LEU B 697 34.283 -11.684 -7.127 1.00 1.00 C ATOM 0 H LEU B 697 29.475 -12.181 -7.061 1.00 1.00 H new ATOM 0 HA LEU B 697 30.840 -10.990 -4.897 1.00 1.00 H new ATOM 0 HB2 LEU B 697 31.827 -12.617 -6.506 1.00 1.00 H new ATOM 0 HB3 LEU B 697 31.646 -11.461 -7.811 1.00 1.00 H new ATOM 0 HG LEU B 697 33.180 -9.882 -6.665 1.00 1.00 H new ATOM 0 HD11 LEU B 697 34.391 -10.603 -4.628 1.00 1.00 H new ATOM 0 HD12 LEU B 697 32.638 -10.516 -4.334 1.00 1.00 H new ATOM 0 HD13 LEU B 697 33.422 -12.095 -4.579 1.00 1.00 H new ATOM 0 HD21 LEU B 697 35.251 -11.250 -6.876 1.00 1.00 H new ATOM 0 HD22 LEU B 697 34.270 -12.734 -6.836 1.00 1.00 H new ATOM 0 HD23 LEU B 697 34.116 -11.603 -8.201 1.00 1.00 H new ATOM 909 N LEU B 698 30.185 -8.997 -7.449 1.00 1.00 N ATOM 910 CA LEU B 698 30.121 -7.596 -7.847 1.00 1.00 C ATOM 911 C LEU B 698 29.199 -6.814 -6.914 1.00 1.00 C ATOM 912 O LEU B 698 29.484 -5.671 -6.557 1.00 1.00 O ATOM 913 CB LEU B 698 29.616 -7.476 -9.289 1.00 1.00 C ATOM 914 CG LEU B 698 30.676 -8.001 -10.264 1.00 1.00 C ATOM 915 CD1 LEU B 698 30.073 -8.096 -11.666 1.00 1.00 C ATOM 916 CD2 LEU B 698 31.889 -7.059 -10.299 1.00 1.00 C ATOM 0 H LEU B 698 29.809 -9.650 -8.136 1.00 1.00 H new ATOM 0 HA LEU B 698 31.125 -7.177 -7.783 1.00 1.00 H new ATOM 0 HB2 LEU B 698 28.691 -8.041 -9.407 1.00 1.00 H new ATOM 0 HB3 LEU B 698 29.385 -6.435 -9.516 1.00 1.00 H new ATOM 0 HG LEU B 698 31.002 -8.986 -9.929 1.00 1.00 H new ATOM 0 HD11 LEU B 698 30.825 -8.469 -12.361 1.00 1.00 H new ATOM 0 HD12 LEU B 698 29.223 -8.778 -11.651 1.00 1.00 H new ATOM 0 HD13 LEU B 698 29.741 -7.109 -11.987 1.00 1.00 H new ATOM 0 HD21 LEU B 698 32.631 -7.447 -10.996 1.00 1.00 H new ATOM 0 HD22 LEU B 698 31.571 -6.068 -10.623 1.00 1.00 H new ATOM 0 HD23 LEU B 698 32.327 -6.992 -9.303 1.00 1.00 H new ATOM 928 N SER B 699 28.075 -7.426 -6.554 1.00 1.00 N ATOM 929 CA SER B 699 27.096 -6.770 -5.685 1.00 1.00 C ATOM 930 C SER B 699 27.686 -6.416 -4.321 1.00 1.00 C ATOM 931 O SER B 699 27.465 -5.315 -3.816 1.00 1.00 O ATOM 932 CB SER B 699 25.878 -7.674 -5.495 1.00 1.00 C ATOM 933 OG SER B 699 25.243 -7.886 -6.750 1.00 1.00 O ATOM 0 H SER B 699 27.818 -8.369 -6.847 1.00 1.00 H new ATOM 0 HA SER B 699 26.799 -5.841 -6.172 1.00 1.00 H new ATOM 0 HB2 SER B 699 26.183 -8.628 -5.065 1.00 1.00 H new ATOM 0 HB3 SER B 699 25.179 -7.217 -4.794 1.00 1.00 H new ATOM 0 HG SER B 699 25.775 -8.512 -7.284 1.00 1.00 H new ATOM 939 N VAL B 700 28.436 -7.336 -3.720 1.00 1.00 N ATOM 940 CA VAL B 700 29.024 -7.049 -2.413 1.00 1.00 C ATOM 941 C VAL B 700 30.061 -5.923 -2.526 1.00 1.00 C ATOM 942 O VAL B 700 30.135 -5.042 -1.665 1.00 1.00 O ATOM 943 CB VAL B 700 29.654 -8.301 -1.782 1.00 1.00 C ATOM 944 CG1 VAL B 700 28.544 -9.264 -1.369 1.00 1.00 C ATOM 945 CG2 VAL B 700 30.564 -8.996 -2.785 1.00 1.00 C ATOM 0 H VAL B 700 28.647 -8.258 -4.101 1.00 1.00 H new ATOM 0 HA VAL B 700 28.218 -6.722 -1.756 1.00 1.00 H new ATOM 0 HB VAL B 700 30.241 -8.004 -0.913 1.00 1.00 H new ATOM 0 HG11 VAL B 700 28.983 -10.155 -0.920 1.00 1.00 H new ATOM 0 HG12 VAL B 700 27.891 -8.777 -0.645 1.00 1.00 H new ATOM 0 HG13 VAL B 700 27.964 -9.548 -2.247 1.00 1.00 H new ATOM 0 HG21 VAL B 700 31.004 -9.881 -2.325 1.00 1.00 H new ATOM 0 HG22 VAL B 700 29.984 -9.292 -3.659 1.00 1.00 H new ATOM 0 HG23 VAL B 700 31.357 -8.314 -3.090 1.00 1.00 H new ATOM 955 N MET B 701 30.863 -5.961 -3.590 1.00 1.00 N ATOM 956 CA MET B 701 31.893 -4.944 -3.786 1.00 1.00 C ATOM 957 C MET B 701 31.226 -3.569 -3.966 1.00 1.00 C ATOM 958 O MET B 701 31.703 -2.556 -3.437 1.00 1.00 O ATOM 959 CB MET B 701 32.722 -5.280 -5.030 1.00 1.00 C ATOM 960 CG MET B 701 33.645 -6.453 -4.709 1.00 1.00 C ATOM 961 SD MET B 701 34.582 -6.910 -6.194 1.00 1.00 S ATOM 962 CE MET B 701 35.589 -5.408 -6.289 1.00 1.00 C ATOM 0 H MET B 701 30.821 -6.674 -4.319 1.00 1.00 H new ATOM 0 HA MET B 701 32.548 -4.920 -2.915 1.00 1.00 H new ATOM 0 HB2 MET B 701 32.066 -5.534 -5.863 1.00 1.00 H new ATOM 0 HB3 MET B 701 33.307 -4.414 -5.338 1.00 1.00 H new ATOM 0 HG2 MET B 701 34.328 -6.182 -3.904 1.00 1.00 H new ATOM 0 HG3 MET B 701 33.061 -7.304 -4.359 1.00 1.00 H new ATOM 0 HE1 MET B 701 36.538 -5.636 -6.774 1.00 1.00 H new ATOM 0 HE2 MET B 701 35.059 -4.651 -6.867 1.00 1.00 H new ATOM 0 HE3 MET B 701 35.777 -5.032 -5.283 1.00 1.00 H new ATOM 972 N GLY B 702 30.121 -3.543 -4.710 1.00 1.00 N ATOM 973 CA GLY B 702 29.391 -2.296 -4.942 1.00 1.00 C ATOM 974 C GLY B 702 28.756 -1.759 -3.647 1.00 1.00 C ATOM 975 O GLY B 702 28.661 -0.542 -3.437 1.00 1.00 O ATOM 0 H GLY B 702 29.714 -4.363 -5.159 1.00 1.00 H new ATOM 0 HA2 GLY B 702 30.070 -1.548 -5.352 1.00 1.00 H new ATOM 0 HA3 GLY B 702 28.613 -2.463 -5.687 1.00 1.00 H new ATOM 979 N ALA B 703 28.322 -2.665 -2.779 1.00 1.00 N ATOM 980 CA ALA B 703 27.708 -2.231 -1.518 1.00 1.00 C ATOM 981 C ALA B 703 28.740 -1.442 -0.687 1.00 1.00 C ATOM 982 O ALA B 703 28.432 -0.379 -0.128 1.00 1.00 O ATOM 983 CB ALA B 703 27.169 -3.459 -0.737 1.00 1.00 C ATOM 0 H ALA B 703 28.378 -3.675 -2.912 1.00 1.00 H new ATOM 0 HA ALA B 703 26.863 -1.575 -1.727 1.00 1.00 H new ATOM 0 HB1 ALA B 703 26.716 -3.126 0.197 1.00 1.00 H new ATOM 0 HB2 ALA B 703 26.421 -3.974 -1.340 1.00 1.00 H new ATOM 0 HB3 ALA B 703 27.991 -4.141 -0.518 1.00 1.00 H new ATOM 989 N ILE B 704 29.973 -1.963 -0.635 1.00 1.00 N ATOM 990 CA ILE B 704 31.059 -1.312 0.113 1.00 1.00 C ATOM 991 C ILE B 704 31.404 0.048 -0.477 1.00 1.00 C ATOM 992 O ILE B 704 31.609 1.000 0.266 1.00 1.00 O ATOM 993 CB ILE B 704 32.310 -2.206 0.124 1.00 1.00 C ATOM 994 CG1 ILE B 704 31.998 -3.581 0.741 1.00 1.00 C ATOM 995 CG2 ILE B 704 33.448 -1.546 0.898 1.00 1.00 C ATOM 996 CD1 ILE B 704 31.494 -3.419 2.193 1.00 1.00 C ATOM 0 H ILE B 704 30.244 -2.830 -1.100 1.00 1.00 H new ATOM 0 HA ILE B 704 30.712 -1.162 1.135 1.00 1.00 H new ATOM 0 HB ILE B 704 32.621 -2.344 -0.911 1.00 1.00 H new ATOM 0 HG12 ILE B 704 31.244 -4.092 0.143 1.00 1.00 H new ATOM 0 HG13 ILE B 704 32.892 -4.204 0.727 1.00 1.00 H new ATOM 0 HG21 ILE B 704 34.320 -2.199 0.890 1.00 1.00 H new ATOM 0 HG22 ILE B 704 33.703 -0.595 0.430 1.00 1.00 H new ATOM 0 HG23 ILE B 704 33.135 -1.371 1.927 1.00 1.00 H new ATOM 0 HD11 ILE B 704 31.278 -4.401 2.615 1.00 1.00 H new ATOM 0 HD12 ILE B 704 32.261 -2.928 2.792 1.00 1.00 H new ATOM 0 HD13 ILE B 704 30.587 -2.814 2.198 1.00 1.00 H new ATOM 1008 N LEU B 705 31.485 0.161 -1.794 1.00 1.00 N ATOM 1009 CA LEU B 705 31.843 1.443 -2.386 1.00 1.00 C ATOM 1010 C LEU B 705 30.819 2.522 -2.009 1.00 1.00 C ATOM 1011 O LEU B 705 31.193 3.638 -1.653 1.00 1.00 O ATOM 1012 CB LEU B 705 31.894 1.315 -3.908 1.00 1.00 C ATOM 1013 CG LEU B 705 33.070 0.418 -4.312 1.00 1.00 C ATOM 1014 CD1 LEU B 705 32.972 0.139 -5.807 1.00 1.00 C ATOM 1015 CD2 LEU B 705 34.418 1.110 -4.008 1.00 1.00 C ATOM 0 H LEU B 705 31.314 -0.594 -2.458 1.00 1.00 H new ATOM 0 HA LEU B 705 32.822 1.733 -2.003 1.00 1.00 H new ATOM 0 HB2 LEU B 705 30.959 0.894 -4.279 1.00 1.00 H new ATOM 0 HB3 LEU B 705 32.003 2.300 -4.362 1.00 1.00 H new ATOM 0 HG LEU B 705 33.025 -0.511 -3.743 1.00 1.00 H new ATOM 0 HD11 LEU B 705 33.801 -0.499 -6.113 1.00 1.00 H new ATOM 0 HD12 LEU B 705 32.029 -0.364 -6.022 1.00 1.00 H new ATOM 0 HD13 LEU B 705 33.015 1.080 -6.356 1.00 1.00 H new ATOM 0 HD21 LEU B 705 35.238 0.455 -4.303 1.00 1.00 H new ATOM 0 HD22 LEU B 705 34.481 2.044 -4.566 1.00 1.00 H new ATOM 0 HD23 LEU B 705 34.487 1.319 -2.941 1.00 1.00 H new ATOM 1027 N LEU B 706 29.536 2.185 -2.071 1.00 1.00 N ATOM 1028 CA LEU B 706 28.470 3.147 -1.716 1.00 1.00 C ATOM 1029 C LEU B 706 28.575 3.530 -0.230 1.00 1.00 C ATOM 1030 O LEU B 706 28.344 4.687 0.163 1.00 1.00 O ATOM 1031 CB LEU B 706 27.086 2.542 -1.994 1.00 1.00 C ATOM 1032 CG LEU B 706 26.648 2.784 -3.449 1.00 1.00 C ATOM 1033 CD1 LEU B 706 26.233 4.245 -3.637 1.00 1.00 C ATOM 1034 CD2 LEU B 706 27.786 2.470 -4.421 1.00 1.00 C ATOM 0 H LEU B 706 29.199 1.266 -2.359 1.00 1.00 H new ATOM 0 HA LEU B 706 28.596 4.040 -2.328 1.00 1.00 H new ATOM 0 HB2 LEU B 706 27.109 1.471 -1.793 1.00 1.00 H new ATOM 0 HB3 LEU B 706 26.354 2.978 -1.315 1.00 1.00 H new ATOM 0 HG LEU B 706 25.805 2.125 -3.657 1.00 1.00 H new ATOM 0 HD11 LEU B 706 25.925 4.406 -4.670 1.00 1.00 H new ATOM 0 HD12 LEU B 706 25.402 4.476 -2.970 1.00 1.00 H new ATOM 0 HD13 LEU B 706 27.076 4.896 -3.405 1.00 1.00 H new ATOM 0 HD21 LEU B 706 27.451 2.649 -5.443 1.00 1.00 H new ATOM 0 HD22 LEU B 706 28.640 3.111 -4.201 1.00 1.00 H new ATOM 0 HD23 LEU B 706 28.079 1.426 -4.313 1.00 1.00 H new ATOM 1046 N ILE B 707 28.892 2.544 0.599 1.00 1.00 N ATOM 1047 CA ILE B 707 29.030 2.795 2.042 1.00 1.00 C ATOM 1048 C ILE B 707 30.224 3.696 2.344 1.00 1.00 C ATOM 1049 O ILE B 707 30.157 4.608 3.162 1.00 1.00 O ATOM 1050 CB ILE B 707 29.175 1.492 2.813 1.00 1.00 C ATOM 1051 CG1 ILE B 707 27.852 0.721 2.773 1.00 1.00 C ATOM 1052 CG2 ILE B 707 29.571 1.788 4.270 1.00 1.00 C ATOM 1053 CD1 ILE B 707 28.074 -0.712 3.257 1.00 1.00 C ATOM 0 H ILE B 707 29.057 1.579 0.313 1.00 1.00 H new ATOM 0 HA ILE B 707 28.120 3.302 2.362 1.00 1.00 H new ATOM 0 HB ILE B 707 29.955 0.885 2.353 1.00 1.00 H new ATOM 0 HG12 ILE B 707 27.112 1.217 3.402 1.00 1.00 H new ATOM 0 HG13 ILE B 707 27.455 0.715 1.758 1.00 1.00 H new ATOM 0 HG21 ILE B 707 29.673 0.851 4.817 1.00 1.00 H new ATOM 0 HG22 ILE B 707 30.520 2.324 4.287 1.00 1.00 H new ATOM 0 HG23 ILE B 707 28.801 2.400 4.739 1.00 1.00 H new ATOM 0 HD11 ILE B 707 27.130 -1.257 3.227 1.00 1.00 H new ATOM 0 HD12 ILE B 707 28.799 -1.206 2.610 1.00 1.00 H new ATOM 0 HD13 ILE B 707 28.451 -0.696 4.279 1.00 1.00 H new ATOM 1065 N GLY B 708 31.333 3.414 1.681 1.00 1.00 N ATOM 1066 CA GLY B 708 32.559 4.202 1.903 1.00 1.00 C ATOM 1067 C GLY B 708 32.323 5.652 1.492 1.00 1.00 C ATOM 1068 O GLY B 708 32.701 6.574 2.213 1.00 1.00 O ATOM 0 H GLY B 708 31.422 2.664 0.996 1.00 1.00 H new ATOM 0 HA2 GLY B 708 32.848 4.154 2.953 1.00 1.00 H new ATOM 0 HA3 GLY B 708 33.383 3.780 1.327 1.00 1.00 H new ATOM 1072 N LEU B 709 31.686 5.847 0.342 1.00 1.00 N ATOM 1073 CA LEU B 709 31.396 7.193 -0.144 1.00 1.00 C ATOM 1074 C LEU B 709 30.444 7.904 0.816 1.00 1.00 C ATOM 1075 O LEU B 709 30.620 9.082 1.131 1.00 1.00 O ATOM 1076 CB LEU B 709 30.768 7.112 -1.541 1.00 1.00 C ATOM 1077 CG LEU B 709 30.440 8.518 -2.070 1.00 1.00 C ATOM 1078 CD1 LEU B 709 31.709 9.374 -2.139 1.00 1.00 C ATOM 1079 CD2 LEU B 709 29.832 8.409 -3.470 1.00 1.00 C ATOM 0 H LEU B 709 31.362 5.096 -0.268 1.00 1.00 H new ATOM 0 HA LEU B 709 32.325 7.760 -0.200 1.00 1.00 H new ATOM 0 HB2 LEU B 709 31.453 6.611 -2.225 1.00 1.00 H new ATOM 0 HB3 LEU B 709 29.859 6.511 -1.503 1.00 1.00 H new ATOM 0 HG LEU B 709 29.729 8.989 -1.391 1.00 1.00 H new ATOM 0 HD11 LEU B 709 31.459 10.366 -2.515 1.00 1.00 H new ATOM 0 HD12 LEU B 709 32.143 9.463 -1.143 1.00 1.00 H new ATOM 0 HD13 LEU B 709 32.430 8.903 -2.808 1.00 1.00 H new ATOM 0 HD21 LEU B 709 29.600 9.406 -3.844 1.00 1.00 H new ATOM 0 HD22 LEU B 709 30.544 7.927 -4.139 1.00 1.00 H new ATOM 0 HD23 LEU B 709 28.918 7.816 -3.425 1.00 1.00 H new ATOM 1091 N ALA B 710 29.433 7.171 1.273 1.00 1.00 N ATOM 1092 CA ALA B 710 28.445 7.726 2.190 1.00 1.00 C ATOM 1093 C ALA B 710 29.089 8.119 3.517 1.00 1.00 C ATOM 1094 O ALA B 710 28.756 9.156 4.098 1.00 1.00 O ATOM 1095 CB ALA B 710 27.356 6.683 2.451 1.00 1.00 C ATOM 0 H ALA B 710 29.277 6.194 1.024 1.00 1.00 H new ATOM 0 HA ALA B 710 28.015 8.618 1.735 1.00 1.00 H new ATOM 0 HB1 ALA B 710 26.615 7.094 3.137 1.00 1.00 H new ATOM 0 HB2 ALA B 710 26.873 6.418 1.510 1.00 1.00 H new ATOM 0 HB3 ALA B 710 27.803 5.792 2.892 1.00 1.00 H new ATOM 1101 N ALA B 711 30.013 7.290 3.997 1.00 1.00 N ATOM 1102 CA ALA B 711 30.687 7.574 5.268 1.00 1.00 C ATOM 1103 C ALA B 711 31.492 8.863 5.171 1.00 1.00 C ATOM 1104 O ALA B 711 31.520 9.660 6.108 1.00 1.00 O ATOM 1105 CB ALA B 711 31.611 6.415 5.644 1.00 1.00 C ATOM 0 H ALA B 711 30.311 6.430 3.537 1.00 1.00 H new ATOM 0 HA ALA B 711 29.927 7.693 6.041 1.00 1.00 H new ATOM 0 HB1 ALA B 711 32.106 6.637 6.589 1.00 1.00 H new ATOM 0 HB2 ALA B 711 31.025 5.501 5.747 1.00 1.00 H new ATOM 0 HB3 ALA B 711 32.361 6.280 4.864 1.00 1.00 H new ATOM 1111 N LEU B 712 32.136 9.072 4.034 1.00 1.00 N ATOM 1112 CA LEU B 712 32.926 10.275 3.829 1.00 1.00 C ATOM 1113 C LEU B 712 32.036 11.508 3.888 1.00 1.00 C ATOM 1114 O LEU B 712 32.395 12.514 4.500 1.00 1.00 O ATOM 1115 CB LEU B 712 33.631 10.196 2.471 1.00 1.00 C ATOM 1116 CG LEU B 712 34.475 11.459 2.242 1.00 1.00 C ATOM 1117 CD1 LEU B 712 35.534 11.165 1.182 1.00 1.00 C ATOM 1118 CD2 LEU B 712 33.602 12.637 1.770 1.00 1.00 C ATOM 0 H LEU B 712 32.128 8.428 3.243 1.00 1.00 H new ATOM 0 HA LEU B 712 33.673 10.352 4.619 1.00 1.00 H new ATOM 0 HB2 LEU B 712 34.267 9.312 2.433 1.00 1.00 H new ATOM 0 HB3 LEU B 712 32.894 10.092 1.675 1.00 1.00 H new ATOM 0 HG LEU B 712 34.944 11.736 3.186 1.00 1.00 H new ATOM 0 HD11 LEU B 712 36.138 12.057 1.014 1.00 1.00 H new ATOM 0 HD12 LEU B 712 36.175 10.352 1.524 1.00 1.00 H new ATOM 0 HD13 LEU B 712 35.046 10.876 0.251 1.00 1.00 H new ATOM 0 HD21 LEU B 712 34.229 13.516 1.617 1.00 1.00 H new ATOM 0 HD22 LEU B 712 33.111 12.374 0.833 1.00 1.00 H new ATOM 0 HD23 LEU B 712 32.848 12.857 2.526 1.00 1.00 H new ATOM 1130 N LEU B 713 30.872 11.421 3.244 1.00 1.00 N ATOM 1131 CA LEU B 713 29.932 12.539 3.226 1.00 1.00 C ATOM 1132 C LEU B 713 29.446 12.857 4.638 1.00 1.00 C ATOM 1133 O LEU B 713 29.353 14.020 5.022 1.00 1.00 O ATOM 1134 CB LEU B 713 28.731 12.195 2.331 1.00 1.00 C ATOM 1135 CG LEU B 713 27.719 13.352 2.318 1.00 1.00 C ATOM 1136 CD1 LEU B 713 28.398 14.638 1.842 1.00 1.00 C ATOM 1137 CD2 LEU B 713 26.571 12.999 1.369 1.00 1.00 C ATOM 0 H LEU B 713 30.560 10.595 2.733 1.00 1.00 H new ATOM 0 HA LEU B 713 30.444 13.415 2.828 1.00 1.00 H new ATOM 0 HB2 LEU B 713 29.073 11.992 1.316 1.00 1.00 H new ATOM 0 HB3 LEU B 713 28.249 11.287 2.693 1.00 1.00 H new ATOM 0 HG LEU B 713 27.334 13.508 3.326 1.00 1.00 H new ATOM 0 HD11 LEU B 713 27.673 15.452 1.836 1.00 1.00 H new ATOM 0 HD12 LEU B 713 29.218 14.887 2.516 1.00 1.00 H new ATOM 0 HD13 LEU B 713 28.788 14.492 0.835 1.00 1.00 H new ATOM 0 HD21 LEU B 713 25.848 13.814 1.353 1.00 1.00 H new ATOM 0 HD22 LEU B 713 26.964 12.843 0.364 1.00 1.00 H new ATOM 0 HD23 LEU B 713 26.082 12.087 1.712 1.00 1.00 H new ATOM 1149 N ILE B 714 29.138 11.816 5.401 1.00 1.00 N ATOM 1150 CA ILE B 714 28.658 12.003 6.766 1.00 1.00 C ATOM 1151 C ILE B 714 29.734 12.659 7.627 1.00 1.00 C ATOM 1152 O ILE B 714 29.451 13.572 8.401 1.00 1.00 O ATOM 1153 CB ILE B 714 28.268 10.655 7.373 1.00 1.00 C ATOM 1154 CG1 ILE B 714 27.030 10.114 6.654 1.00 1.00 C ATOM 1155 CG2 ILE B 714 27.956 10.837 8.861 1.00 1.00 C ATOM 1156 CD1 ILE B 714 26.797 8.657 7.059 1.00 1.00 C ATOM 0 H ILE B 714 29.210 10.843 5.103 1.00 1.00 H new ATOM 0 HA ILE B 714 27.784 12.654 6.737 1.00 1.00 H new ATOM 0 HB ILE B 714 29.092 9.951 7.259 1.00 1.00 H new ATOM 0 HG12 ILE B 714 26.158 10.716 6.907 1.00 1.00 H new ATOM 0 HG13 ILE B 714 27.164 10.185 5.575 1.00 1.00 H new ATOM 0 HG21 ILE B 714 27.678 9.876 9.295 1.00 1.00 H new ATOM 0 HG22 ILE B 714 28.837 11.225 9.373 1.00 1.00 H new ATOM 0 HG23 ILE B 714 27.131 11.540 8.976 1.00 1.00 H new ATOM 0 HD11 ILE B 714 25.915 8.273 6.546 1.00 1.00 H new ATOM 0 HD12 ILE B 714 27.666 8.059 6.783 1.00 1.00 H new ATOM 0 HD13 ILE B 714 26.644 8.599 8.137 1.00 1.00 H new ATOM 1168 N TRP B 715 30.965 12.188 7.486 1.00 1.00 N ATOM 1169 CA TRP B 715 32.076 12.736 8.256 1.00 1.00 C ATOM 1170 C TRP B 715 32.253 14.220 7.925 1.00 1.00 C ATOM 1171 O TRP B 715 32.421 15.052 8.815 1.00 1.00 O ATOM 1172 CB TRP B 715 33.356 11.965 7.915 1.00 1.00 C ATOM 1173 CG TRP B 715 34.294 11.946 9.087 1.00 1.00 C ATOM 1174 CD1 TRP B 715 34.350 12.869 10.078 1.00 1.00 C ATOM 1175 CD2 TRP B 715 35.314 10.953 9.401 1.00 1.00 C ATOM 1176 NE1 TRP B 715 35.339 12.504 10.974 1.00 1.00 N ATOM 1177 CE2 TRP B 715 35.962 11.331 10.599 1.00 1.00 C ATOM 1178 CE3 TRP B 715 35.733 9.773 8.764 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 36.990 10.564 11.148 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 36.767 8.999 9.313 1.00 1.00 C ATOM 1181 CH2 TRP B 715 37.395 9.393 10.503 1.00 1.00 C ATOM 0 H TRP B 715 31.220 11.432 6.850 1.00 1.00 H new ATOM 0 HA TRP B 715 31.868 12.636 9.321 1.00 1.00 H new ATOM 0 HB2 TRP B 715 33.105 10.944 7.627 1.00 1.00 H new ATOM 0 HB3 TRP B 715 33.847 12.426 7.058 1.00 1.00 H new ATOM 0 HD1 TRP B 715 33.725 13.746 10.156 1.00 1.00 H new ATOM 0 HE1 TRP B 715 35.579 13.037 11.810 1.00 1.00 H new ATOM 0 HE3 TRP B 715 35.257 9.460 7.847 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 37.469 10.873 12.065 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 37.081 8.093 8.815 1.00 1.00 H new ATOM 0 HH2 TRP B 715 38.190 8.793 10.920 1.00 1.00 H new ATOM 1192 N LYS B 716 32.203 14.540 6.635 1.00 1.00 N ATOM 1193 CA LYS B 716 32.354 15.923 6.185 1.00 1.00 C ATOM 1194 C LYS B 716 31.226 16.755 6.807 1.00 1.00 C ATOM 1195 O LYS B 716 31.449 17.814 7.387 1.00 1.00 O ATOM 1196 CB LYS B 716 32.238 15.916 4.644 1.00 1.00 C ATOM 1197 CG LYS B 716 32.934 17.121 3.949 1.00 1.00 C ATOM 1198 CD LYS B 716 31.988 18.329 3.749 1.00 1.00 C ATOM 1199 CE LYS B 716 32.150 19.341 4.885 1.00 1.00 C ATOM 1200 NZ LYS B 716 30.849 20.027 5.124 1.00 1.00 N ATOM 0 H LYS B 716 32.060 13.864 5.884 1.00 1.00 H new ATOM 0 HA LYS B 716 33.312 16.350 6.482 1.00 1.00 H new ATOM 0 HB2 LYS B 716 32.670 14.991 4.262 1.00 1.00 H new ATOM 0 HB3 LYS B 716 31.183 15.912 4.370 1.00 1.00 H new ATOM 0 HG2 LYS B 716 33.792 17.432 4.546 1.00 1.00 H new ATOM 0 HG3 LYS B 716 33.318 16.803 2.980 1.00 1.00 H new ATOM 0 HD2 LYS B 716 32.202 18.810 2.795 1.00 1.00 H new ATOM 0 HD3 LYS B 716 30.955 17.984 3.708 1.00 1.00 H new ATOM 0 HE2 LYS B 716 32.480 18.836 5.793 1.00 1.00 H new ATOM 0 HE3 LYS B 716 32.918 20.071 4.630 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 30.913 20.601 5.989 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 30.627 20.643 4.316 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 30.097 19.317 5.235 1.00 1.00 H new ATOM 1214 N LEU B 717 30.013 16.229 6.728 1.00 1.00 N ATOM 1215 CA LEU B 717 28.855 16.899 7.308 1.00 1.00 C ATOM 1216 C LEU B 717 28.976 17.006 8.828 1.00 1.00 C ATOM 1217 O LEU B 717 28.599 18.020 9.416 1.00 1.00 O ATOM 1218 CB LEU B 717 27.575 16.140 6.948 1.00 1.00 C ATOM 1219 CG LEU B 717 27.283 16.295 5.451 1.00 1.00 C ATOM 1220 CD1 LEU B 717 26.149 15.348 5.054 1.00 1.00 C ATOM 1221 CD2 LEU B 717 26.873 17.743 5.134 1.00 1.00 C ATOM 0 H LEU B 717 29.803 15.342 6.269 1.00 1.00 H new ATOM 0 HA LEU B 717 28.813 17.907 6.896 1.00 1.00 H new ATOM 0 HB2 LEU B 717 27.684 15.085 7.199 1.00 1.00 H new ATOM 0 HB3 LEU B 717 26.738 16.522 7.533 1.00 1.00 H new ATOM 0 HG LEU B 717 28.184 16.051 4.888 1.00 1.00 H new ATOM 0 HD11 LEU B 717 25.940 15.457 3.990 1.00 1.00 H new ATOM 0 HD12 LEU B 717 26.444 14.320 5.263 1.00 1.00 H new ATOM 0 HD13 LEU B 717 25.254 15.592 5.626 1.00 1.00 H new ATOM 0 HD21 LEU B 717 26.669 17.838 4.068 1.00 1.00 H new ATOM 0 HD22 LEU B 717 25.977 18.000 5.699 1.00 1.00 H new ATOM 0 HD23 LEU B 717 27.682 18.419 5.410 1.00 1.00 H new ATOM 1233 N LEU B 718 29.464 15.938 9.456 1.00 1.00 N ATOM 1234 CA LEU B 718 29.587 15.895 10.912 1.00 1.00 C ATOM 1235 C LEU B 718 30.538 16.967 11.455 1.00 1.00 C ATOM 1236 O LEU B 718 30.226 17.626 12.447 1.00 1.00 O ATOM 1237 CB LEU B 718 30.080 14.503 11.336 1.00 1.00 C ATOM 1238 CG LEU B 718 30.244 14.424 12.861 1.00 1.00 C ATOM 1239 CD1 LEU B 718 28.920 14.768 13.549 1.00 1.00 C ATOM 1240 CD2 LEU B 718 30.656 13.002 13.252 1.00 1.00 C ATOM 0 H LEU B 718 29.780 15.093 8.981 1.00 1.00 H new ATOM 0 HA LEU B 718 28.602 16.098 11.332 1.00 1.00 H new ATOM 0 HB2 LEU B 718 29.372 13.744 11.002 1.00 1.00 H new ATOM 0 HB3 LEU B 718 31.032 14.286 10.852 1.00 1.00 H new ATOM 0 HG LEU B 718 31.009 15.134 13.175 1.00 1.00 H new ATOM 0 HD11 LEU B 718 29.046 14.709 14.630 1.00 1.00 H new ATOM 0 HD12 LEU B 718 28.618 15.778 13.273 1.00 1.00 H new ATOM 0 HD13 LEU B 718 28.152 14.061 13.234 1.00 1.00 H new ATOM 0 HD21 LEU B 718 30.773 12.942 14.334 1.00 1.00 H new ATOM 0 HD22 LEU B 718 29.887 12.299 12.931 1.00 1.00 H new ATOM 0 HD23 LEU B 718 31.601 12.751 12.770 1.00 1.00 H new ATOM 1252 N ILE B 719 31.693 17.159 10.832 1.00 1.00 N ATOM 1253 CA ILE B 719 32.603 18.176 11.340 1.00 1.00 C ATOM 1254 C ILE B 719 32.023 19.570 11.129 1.00 1.00 C ATOM 1255 O ILE B 719 32.110 20.420 12.012 1.00 1.00 O ATOM 1256 CB ILE B 719 33.993 18.070 10.691 1.00 1.00 C ATOM 1257 CG1 ILE B 719 34.877 19.210 11.219 1.00 1.00 C ATOM 1258 CG2 ILE B 719 33.880 18.166 9.171 1.00 1.00 C ATOM 1259 CD1 ILE B 719 36.343 18.975 10.827 1.00 1.00 C ATOM 0 H ILE B 719 32.013 16.648 10.009 1.00 1.00 H new ATOM 0 HA ILE B 719 32.722 18.003 12.410 1.00 1.00 H new ATOM 0 HB ILE B 719 34.437 17.107 10.944 1.00 1.00 H new ATOM 0 HG12 ILE B 719 34.534 20.162 10.815 1.00 1.00 H new ATOM 0 HG13 ILE B 719 34.790 19.274 12.304 1.00 1.00 H new ATOM 0 HG21 ILE B 719 34.872 18.089 8.727 1.00 1.00 H new ATOM 0 HG22 ILE B 719 33.253 17.355 8.801 1.00 1.00 H new ATOM 0 HG23 ILE B 719 33.434 19.123 8.899 1.00 1.00 H new ATOM 0 HD11 ILE B 719 36.957 19.791 11.208 1.00 1.00 H new ATOM 0 HD12 ILE B 719 36.687 18.033 11.253 1.00 1.00 H new ATOM 0 HD13 ILE B 719 36.427 18.934 9.741 1.00 1.00 H new ATOM 1271 N THR B 720 31.443 19.802 9.954 1.00 1.00 N ATOM 1272 CA THR B 720 30.868 21.106 9.637 1.00 1.00 C ATOM 1273 C THR B 720 29.668 21.464 10.520 1.00 1.00 C ATOM 1274 O THR B 720 29.590 22.575 11.042 1.00 1.00 O ATOM 1275 CB THR B 720 30.442 21.131 8.170 1.00 1.00 C ATOM 1276 OG1 THR B 720 31.512 20.662 7.361 1.00 1.00 O ATOM 1277 CG2 THR B 720 30.087 22.563 7.768 1.00 1.00 C ATOM 0 H THR B 720 31.359 19.109 9.210 1.00 1.00 H new ATOM 0 HA THR B 720 31.641 21.850 9.830 1.00 1.00 H new ATOM 0 HB THR B 720 29.572 20.489 8.031 1.00 1.00 H new ATOM 0 HG1 THR B 720 31.542 19.683 7.394 1.00 1.00 H new ATOM 0 HG21 THR B 720 29.783 22.582 6.721 1.00 1.00 H new ATOM 0 HG22 THR B 720 29.268 22.923 8.391 1.00 1.00 H new ATOM 0 HG23 THR B 720 30.957 23.206 7.905 1.00 1.00 H new ATOM 1285 N ILE B 721 28.716 20.537 10.659 1.00 1.00 N ATOM 1286 CA ILE B 721 27.513 20.809 11.453 1.00 1.00 C ATOM 1287 C ILE B 721 27.835 21.026 12.926 1.00 1.00 C ATOM 1288 O ILE B 721 27.331 21.958 13.550 1.00 1.00 O ATOM 1289 CB ILE B 721 26.533 19.640 11.318 1.00 1.00 C ATOM 1290 CG1 ILE B 721 25.992 19.590 9.886 1.00 1.00 C ATOM 1291 CG2 ILE B 721 25.370 19.835 12.295 1.00 1.00 C ATOM 1292 CD1 ILE B 721 25.241 18.275 9.665 1.00 1.00 C ATOM 0 H ILE B 721 28.752 19.607 10.241 1.00 1.00 H new ATOM 0 HA ILE B 721 27.067 21.727 11.069 1.00 1.00 H new ATOM 0 HB ILE B 721 27.047 18.706 11.545 1.00 1.00 H new ATOM 0 HG12 ILE B 721 25.326 20.435 9.709 1.00 1.00 H new ATOM 0 HG13 ILE B 721 26.812 19.676 9.174 1.00 1.00 H new ATOM 0 HG21 ILE B 721 24.672 19.004 12.200 1.00 1.00 H new ATOM 0 HG22 ILE B 721 25.754 19.872 13.315 1.00 1.00 H new ATOM 0 HG23 ILE B 721 24.856 20.769 12.067 1.00 1.00 H new ATOM 0 HD11 ILE B 721 24.857 18.242 8.645 1.00 1.00 H new ATOM 0 HD12 ILE B 721 25.920 17.437 9.824 1.00 1.00 H new ATOM 0 HD13 ILE B 721 24.410 18.208 10.368 1.00 1.00 H new ATOM 1304 N HIS B 722 28.678 20.169 13.477 1.00 1.00 N ATOM 1305 CA HIS B 722 29.064 20.283 14.874 1.00 1.00 C ATOM 1306 C HIS B 722 29.908 21.526 15.131 1.00 1.00 C ATOM 1307 O HIS B 722 29.744 22.194 16.152 1.00 1.00 O ATOM 1308 CB HIS B 722 29.787 19.010 15.326 1.00 1.00 C ATOM 1309 CG HIS B 722 31.241 19.294 15.543 1.00 1.00 C ATOM 1310 ND1 HIS B 722 32.199 18.926 14.611 1.00 1.00 N ATOM 1311 CD2 HIS B 722 31.923 19.896 16.571 1.00 1.00 C ATOM 1312 CE1 HIS B 722 33.397 19.306 15.093 1.00 1.00 C ATOM 1313 NE2 HIS B 722 33.286 19.902 16.285 1.00 1.00 N ATOM 0 H HIS B 722 29.107 19.388 12.980 1.00 1.00 H new ATOM 0 HA HIS B 722 28.157 20.395 15.468 1.00 1.00 H new ATOM 0 HB2 HIS B 722 29.340 18.636 16.247 1.00 1.00 H new ATOM 0 HB3 HIS B 722 29.669 18.229 14.575 1.00 1.00 H new ATOM 0 HD2 HIS B 722 31.472 20.302 17.464 1.00 1.00 H new ATOM 0 HE1 HIS B 722 34.334 19.149 14.579 1.00 1.00 H new ATOM 0 HE2 HIS B 722 34.038 20.280 16.861 1.00 1.00 H new ATOM 1321 N ASP B 723 30.835 21.820 14.225 1.00 1.00 N ATOM 1322 CA ASP B 723 31.708 22.979 14.406 1.00 1.00 C ATOM 1323 C ASP B 723 30.884 24.267 14.436 1.00 1.00 C ATOM 1324 O ASP B 723 31.138 25.153 15.253 1.00 1.00 O ATOM 1325 CB ASP B 723 32.726 23.050 13.262 1.00 1.00 C ATOM 1326 CG ASP B 723 33.931 22.153 13.558 1.00 1.00 C ATOM 1327 OD1 ASP B 723 34.130 21.813 14.712 1.00 1.00 O ATOM 1328 OD2 ASP B 723 34.629 21.808 12.620 1.00 1.00 O ATOM 0 H ASP B 723 31.001 21.285 13.373 1.00 1.00 H new ATOM 0 HA ASP B 723 32.234 22.872 15.355 1.00 1.00 H new ATOM 0 HB2 ASP B 723 32.255 22.740 12.329 1.00 1.00 H new ATOM 0 HB3 ASP B 723 33.057 24.080 13.125 1.00 1.00 H new