USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 558 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 981 THR OG1 : rot 78:sc= 0.592 USER MOD Single : A 987 MET CE :methyl -159:sc= -0.0384 (180deg=-0.635) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 994 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 699 SER OG : rot 76:sc= 0.58 USER MOD Single : B 701 MET CE :methyl 155:sc= -0.147 (180deg=-1.02) USER MOD Single : B 716 LYS NZ :NH3+ -150:sc= -0.173 (180deg=-0.359) USER MOD Single : B 720 THR OG1 : rot 80:sc= 1.05 USER MOD Single : B 722 HIS : no HE2:sc= 0.634 K(o=0.63,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 32.037 -19.291 -0.803 1.00 1.00 N ATOM 137 CA ILE A 966 31.918 -18.153 0.104 1.00 1.00 C ATOM 138 C ILE A 966 33.211 -17.343 0.139 1.00 1.00 C ATOM 139 O ILE A 966 33.206 -16.168 0.502 1.00 1.00 O ATOM 140 CB ILE A 966 31.587 -18.646 1.516 1.00 1.00 C ATOM 141 CG1 ILE A 966 30.336 -19.540 1.473 1.00 1.00 C ATOM 142 CG2 ILE A 966 31.355 -17.454 2.451 1.00 1.00 C ATOM 143 CD1 ILE A 966 29.141 -18.780 0.877 1.00 1.00 C ATOM 0 HA ILE A 966 31.116 -17.511 -0.260 1.00 1.00 H new ATOM 0 HB ILE A 966 32.427 -19.227 1.897 1.00 1.00 H new ATOM 0 HG12 ILE A 966 30.540 -20.430 0.878 1.00 1.00 H new ATOM 0 HG13 ILE A 966 30.091 -19.879 2.480 1.00 1.00 H new ATOM 0 HG21 ILE A 966 31.120 -17.817 3.452 1.00 1.00 H new ATOM 0 HG22 ILE A 966 32.255 -16.841 2.489 1.00 1.00 H new ATOM 0 HG23 ILE A 966 30.524 -16.855 2.078 1.00 1.00 H new ATOM 0 HD11 ILE A 966 28.268 -19.433 0.857 1.00 1.00 H new ATOM 0 HD12 ILE A 966 28.925 -17.904 1.489 1.00 1.00 H new ATOM 0 HD13 ILE A 966 29.381 -18.463 -0.138 1.00 1.00 H new ATOM 155 N TRP A 967 34.317 -17.987 -0.209 1.00 1.00 N ATOM 156 CA TRP A 967 35.618 -17.326 -0.182 1.00 1.00 C ATOM 157 C TRP A 967 35.619 -16.062 -1.038 1.00 1.00 C ATOM 158 O TRP A 967 36.251 -15.069 -0.678 1.00 1.00 O ATOM 159 CB TRP A 967 36.697 -18.286 -0.690 1.00 1.00 C ATOM 160 CG TRP A 967 36.890 -19.388 0.300 1.00 1.00 C ATOM 161 CD1 TRP A 967 36.413 -20.647 0.164 1.00 1.00 C ATOM 162 CD2 TRP A 967 37.602 -19.355 1.572 1.00 1.00 C ATOM 163 NE1 TRP A 967 36.787 -21.389 1.271 1.00 1.00 N ATOM 164 CE2 TRP A 967 37.520 -20.637 2.166 1.00 1.00 C ATOM 165 CE3 TRP A 967 38.303 -18.349 2.260 1.00 1.00 C ATOM 166 CZ2 TRP A 967 38.113 -20.910 3.400 1.00 1.00 C ATOM 167 CZ3 TRP A 967 38.901 -18.620 3.501 1.00 1.00 C ATOM 168 CH2 TRP A 967 38.806 -19.899 4.070 1.00 1.00 C ATOM 0 H TRP A 967 34.342 -18.961 -0.512 1.00 1.00 H new ATOM 0 HA TRP A 967 35.828 -17.041 0.849 1.00 1.00 H new ATOM 0 HB2 TRP A 967 36.406 -18.698 -1.656 1.00 1.00 H new ATOM 0 HB3 TRP A 967 37.634 -17.750 -0.841 1.00 1.00 H new ATOM 0 HD1 TRP A 967 35.835 -21.013 -0.672 1.00 1.00 H new ATOM 0 HE1 TRP A 967 36.550 -22.371 1.408 1.00 1.00 H new ATOM 0 HE3 TRP A 967 38.382 -17.361 1.831 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 38.036 -21.896 3.834 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 39.437 -17.840 4.021 1.00 1.00 H new ATOM 0 HH2 TRP A 967 39.268 -20.102 5.025 1.00 1.00 H new ATOM 179 N TRP A 968 34.919 -16.092 -2.166 1.00 1.00 N ATOM 180 CA TRP A 968 34.871 -14.921 -3.037 1.00 1.00 C ATOM 181 C TRP A 968 34.294 -13.721 -2.291 1.00 1.00 C ATOM 182 O TRP A 968 34.757 -12.594 -2.460 1.00 1.00 O ATOM 183 CB TRP A 968 34.026 -15.217 -4.274 1.00 1.00 C ATOM 184 CG TRP A 968 34.765 -16.170 -5.154 1.00 1.00 C ATOM 185 CD1 TRP A 968 34.547 -17.501 -5.204 1.00 1.00 C ATOM 186 CD2 TRP A 968 35.828 -15.891 -6.109 1.00 1.00 C ATOM 187 NE1 TRP A 968 35.410 -18.062 -6.129 1.00 1.00 N ATOM 188 CE2 TRP A 968 36.220 -17.109 -6.714 1.00 1.00 C ATOM 189 CE3 TRP A 968 36.484 -14.712 -6.506 1.00 1.00 C ATOM 190 CZ2 TRP A 968 37.227 -17.155 -7.679 1.00 1.00 C ATOM 191 CZ3 TRP A 968 37.500 -14.755 -7.476 1.00 1.00 C ATOM 192 CH2 TRP A 968 37.870 -15.975 -8.061 1.00 1.00 C ATOM 0 H TRP A 968 34.386 -16.897 -2.496 1.00 1.00 H new ATOM 0 HA TRP A 968 35.888 -14.684 -3.349 1.00 1.00 H new ATOM 0 HB2 TRP A 968 33.066 -15.643 -3.981 1.00 1.00 H new ATOM 0 HB3 TRP A 968 33.814 -14.294 -4.814 1.00 1.00 H new ATOM 0 HD1 TRP A 968 33.818 -18.040 -4.618 1.00 1.00 H new ATOM 0 HE1 TRP A 968 35.444 -19.057 -6.351 1.00 1.00 H new ATOM 0 HE3 TRP A 968 36.205 -13.768 -6.063 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 37.507 -18.097 -8.128 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 37.998 -13.844 -7.773 1.00 1.00 H new ATOM 0 HH2 TRP A 968 38.651 -16.002 -8.806 1.00 1.00 H new ATOM 203 N VAL A 969 33.286 -13.970 -1.460 1.00 1.00 N ATOM 204 CA VAL A 969 32.661 -12.899 -0.689 1.00 1.00 C ATOM 205 C VAL A 969 33.659 -12.284 0.288 1.00 1.00 C ATOM 206 O VAL A 969 33.741 -11.064 0.414 1.00 1.00 O ATOM 207 CB VAL A 969 31.447 -13.430 0.075 1.00 1.00 C ATOM 208 CG1 VAL A 969 30.980 -12.376 1.079 1.00 1.00 C ATOM 209 CG2 VAL A 969 30.315 -13.715 -0.914 1.00 1.00 C ATOM 0 H VAL A 969 32.887 -14.896 -1.304 1.00 1.00 H new ATOM 0 HA VAL A 969 32.333 -12.127 -1.385 1.00 1.00 H new ATOM 0 HB VAL A 969 31.718 -14.345 0.601 1.00 1.00 H new ATOM 0 HG11 VAL A 969 30.115 -12.752 1.625 1.00 1.00 H new ATOM 0 HG12 VAL A 969 31.786 -12.159 1.780 1.00 1.00 H new ATOM 0 HG13 VAL A 969 30.706 -11.464 0.548 1.00 1.00 H new ATOM 0 HG21 VAL A 969 29.447 -14.094 -0.374 1.00 1.00 H new ATOM 0 HG22 VAL A 969 30.046 -12.796 -1.434 1.00 1.00 H new ATOM 0 HG23 VAL A 969 30.644 -14.459 -1.639 1.00 1.00 H new ATOM 219 N LEU A 970 34.419 -13.132 0.974 1.00 1.00 N ATOM 220 CA LEU A 970 35.407 -12.643 1.933 1.00 1.00 C ATOM 221 C LEU A 970 36.459 -11.800 1.222 1.00 1.00 C ATOM 222 O LEU A 970 36.879 -10.761 1.732 1.00 1.00 O ATOM 223 CB LEU A 970 36.087 -13.809 2.657 1.00 1.00 C ATOM 224 CG LEU A 970 35.226 -14.274 3.838 1.00 1.00 C ATOM 225 CD1 LEU A 970 33.887 -14.807 3.332 1.00 1.00 C ATOM 226 CD2 LEU A 970 35.960 -15.385 4.592 1.00 1.00 C ATOM 0 H LEU A 970 34.373 -14.147 0.887 1.00 1.00 H new ATOM 0 HA LEU A 970 34.889 -12.029 2.669 1.00 1.00 H new ATOM 0 HB2 LEU A 970 36.243 -14.636 1.964 1.00 1.00 H new ATOM 0 HB3 LEU A 970 37.070 -13.502 3.013 1.00 1.00 H new ATOM 0 HG LEU A 970 35.046 -13.430 4.504 1.00 1.00 H new ATOM 0 HD11 LEU A 970 33.283 -15.135 4.178 1.00 1.00 H new ATOM 0 HD12 LEU A 970 33.361 -14.018 2.794 1.00 1.00 H new ATOM 0 HD13 LEU A 970 34.060 -15.649 2.662 1.00 1.00 H new ATOM 0 HD21 LEU A 970 35.351 -15.718 5.432 1.00 1.00 H new ATOM 0 HD22 LEU A 970 36.140 -16.224 3.919 1.00 1.00 H new ATOM 0 HD23 LEU A 970 36.913 -15.006 4.962 1.00 1.00 H new ATOM 238 N VAL A 971 36.876 -12.246 0.045 1.00 1.00 N ATOM 239 CA VAL A 971 37.877 -11.514 -0.720 1.00 1.00 C ATOM 240 C VAL A 971 37.351 -10.126 -1.075 1.00 1.00 C ATOM 241 O VAL A 971 38.056 -9.128 -0.929 1.00 1.00 O ATOM 242 CB VAL A 971 38.221 -12.275 -2.001 1.00 1.00 C ATOM 243 CG1 VAL A 971 39.103 -11.402 -2.894 1.00 1.00 C ATOM 244 CG2 VAL A 971 38.971 -13.560 -1.643 1.00 1.00 C ATOM 0 H VAL A 971 36.541 -13.102 -0.398 1.00 1.00 H new ATOM 0 HA VAL A 971 38.776 -11.413 -0.112 1.00 1.00 H new ATOM 0 HB VAL A 971 37.303 -12.525 -2.533 1.00 1.00 H new ATOM 0 HG11 VAL A 971 39.348 -11.945 -3.807 1.00 1.00 H new ATOM 0 HG12 VAL A 971 38.569 -10.486 -3.149 1.00 1.00 H new ATOM 0 HG13 VAL A 971 40.022 -11.151 -2.364 1.00 1.00 H new ATOM 0 HG21 VAL A 971 39.217 -14.104 -2.555 1.00 1.00 H new ATOM 0 HG22 VAL A 971 39.889 -13.309 -1.111 1.00 1.00 H new ATOM 0 HG23 VAL A 971 38.342 -14.183 -1.007 1.00 1.00 H new ATOM 254 N GLY A 972 36.103 -10.071 -1.534 1.00 1.00 N ATOM 255 CA GLY A 972 35.491 -8.797 -1.895 1.00 1.00 C ATOM 256 C GLY A 972 35.367 -7.895 -0.673 1.00 1.00 C ATOM 257 O GLY A 972 35.579 -6.685 -0.755 1.00 1.00 O ATOM 0 H GLY A 972 35.502 -10.885 -1.663 1.00 1.00 H new ATOM 0 HA2 GLY A 972 36.091 -8.303 -2.659 1.00 1.00 H new ATOM 0 HA3 GLY A 972 34.505 -8.971 -2.327 1.00 1.00 H new ATOM 261 N VAL A 973 35.030 -8.496 0.465 1.00 1.00 N ATOM 262 CA VAL A 973 34.889 -7.745 1.707 1.00 1.00 C ATOM 263 C VAL A 973 36.221 -7.128 2.118 1.00 1.00 C ATOM 264 O VAL A 973 36.277 -5.964 2.513 1.00 1.00 O ATOM 265 CB VAL A 973 34.362 -8.655 2.820 1.00 1.00 C ATOM 266 CG1 VAL A 973 34.546 -7.966 4.174 1.00 1.00 C ATOM 267 CG2 VAL A 973 32.871 -8.920 2.597 1.00 1.00 C ATOM 0 H VAL A 973 34.850 -9.496 0.552 1.00 1.00 H new ATOM 0 HA VAL A 973 34.173 -6.940 1.542 1.00 1.00 H new ATOM 0 HB VAL A 973 34.912 -9.596 2.807 1.00 1.00 H new ATOM 0 HG11 VAL A 973 34.171 -8.614 4.966 1.00 1.00 H new ATOM 0 HG12 VAL A 973 35.605 -7.766 4.340 1.00 1.00 H new ATOM 0 HG13 VAL A 973 33.994 -7.026 4.182 1.00 1.00 H new ATOM 0 HG21 VAL A 973 32.494 -9.568 3.389 1.00 1.00 H new ATOM 0 HG22 VAL A 973 32.327 -7.975 2.612 1.00 1.00 H new ATOM 0 HG23 VAL A 973 32.728 -9.406 1.632 1.00 1.00 H new ATOM 277 N LEU A 974 37.290 -7.909 2.024 1.00 1.00 N ATOM 278 CA LEU A 974 38.607 -7.412 2.392 1.00 1.00 C ATOM 279 C LEU A 974 39.000 -6.244 1.489 1.00 1.00 C ATOM 280 O LEU A 974 39.522 -5.233 1.960 1.00 1.00 O ATOM 281 CB LEU A 974 39.642 -8.538 2.265 1.00 1.00 C ATOM 282 CG LEU A 974 41.043 -8.025 2.628 1.00 1.00 C ATOM 283 CD1 LEU A 974 41.040 -7.450 4.047 1.00 1.00 C ATOM 284 CD2 LEU A 974 42.038 -9.186 2.558 1.00 1.00 C ATOM 0 H LEU A 974 37.271 -8.876 1.700 1.00 1.00 H new ATOM 0 HA LEU A 974 38.577 -7.066 3.425 1.00 1.00 H new ATOM 0 HB2 LEU A 974 39.370 -9.365 2.921 1.00 1.00 H new ATOM 0 HB3 LEU A 974 39.643 -8.926 1.246 1.00 1.00 H new ATOM 0 HG LEU A 974 41.331 -7.243 1.925 1.00 1.00 H new ATOM 0 HD11 LEU A 974 42.038 -7.089 4.295 1.00 1.00 H new ATOM 0 HD12 LEU A 974 40.331 -6.624 4.103 1.00 1.00 H new ATOM 0 HD13 LEU A 974 40.749 -8.227 4.754 1.00 1.00 H new ATOM 0 HD21 LEU A 974 43.035 -8.827 2.815 1.00 1.00 H new ATOM 0 HD22 LEU A 974 41.740 -9.964 3.261 1.00 1.00 H new ATOM 0 HD23 LEU A 974 42.049 -9.595 1.548 1.00 1.00 H new ATOM 296 N GLY A 975 38.736 -6.382 0.193 1.00 1.00 N ATOM 297 CA GLY A 975 39.062 -5.323 -0.755 1.00 1.00 C ATOM 298 C GLY A 975 38.259 -4.062 -0.453 1.00 1.00 C ATOM 299 O GLY A 975 38.777 -2.948 -0.529 1.00 1.00 O ATOM 0 H GLY A 975 38.302 -7.207 -0.221 1.00 1.00 H new ATOM 0 HA2 GLY A 975 40.128 -5.101 -0.707 1.00 1.00 H new ATOM 0 HA3 GLY A 975 38.852 -5.660 -1.770 1.00 1.00 H new ATOM 303 N GLY A 976 36.989 -4.247 -0.106 1.00 1.00 N ATOM 304 CA GLY A 976 36.121 -3.119 0.212 1.00 1.00 C ATOM 305 C GLY A 976 36.617 -2.386 1.456 1.00 1.00 C ATOM 306 O GLY A 976 36.561 -1.158 1.530 1.00 1.00 O ATOM 0 H GLY A 976 36.541 -5.161 -0.038 1.00 1.00 H new ATOM 0 HA2 GLY A 976 36.088 -2.430 -0.632 1.00 1.00 H new ATOM 0 HA3 GLY A 976 35.103 -3.473 0.375 1.00 1.00 H new ATOM 310 N LEU A 977 37.111 -3.153 2.423 1.00 1.00 N ATOM 311 CA LEU A 977 37.630 -2.579 3.660 1.00 1.00 C ATOM 312 C LEU A 977 38.827 -1.690 3.347 1.00 1.00 C ATOM 313 O LEU A 977 38.985 -0.609 3.916 1.00 1.00 O ATOM 314 CB LEU A 977 38.045 -3.700 4.623 1.00 1.00 C ATOM 315 CG LEU A 977 38.613 -3.111 5.922 1.00 1.00 C ATOM 316 CD1 LEU A 977 37.579 -2.195 6.580 1.00 1.00 C ATOM 317 CD2 LEU A 977 38.961 -4.250 6.884 1.00 1.00 C ATOM 0 H LEU A 977 37.163 -4.171 2.374 1.00 1.00 H new ATOM 0 HA LEU A 977 36.852 -1.979 4.133 1.00 1.00 H new ATOM 0 HB2 LEU A 977 37.185 -4.331 4.848 1.00 1.00 H new ATOM 0 HB3 LEU A 977 38.792 -4.337 4.149 1.00 1.00 H new ATOM 0 HG LEU A 977 39.507 -2.533 5.690 1.00 1.00 H new ATOM 0 HD11 LEU A 977 37.992 -1.782 7.501 1.00 1.00 H new ATOM 0 HD12 LEU A 977 37.327 -1.382 5.899 1.00 1.00 H new ATOM 0 HD13 LEU A 977 36.680 -2.767 6.810 1.00 1.00 H new ATOM 0 HD21 LEU A 977 39.365 -3.836 7.808 1.00 1.00 H new ATOM 0 HD22 LEU A 977 38.062 -4.825 7.107 1.00 1.00 H new ATOM 0 HD23 LEU A 977 39.704 -4.901 6.423 1.00 1.00 H new ATOM 329 N LEU A 978 39.667 -2.164 2.437 1.00 1.00 N ATOM 330 CA LEU A 978 40.857 -1.429 2.036 1.00 1.00 C ATOM 331 C LEU A 978 40.475 -0.094 1.401 1.00 1.00 C ATOM 332 O LEU A 978 41.139 0.917 1.628 1.00 1.00 O ATOM 333 CB LEU A 978 41.671 -2.255 1.037 1.00 1.00 C ATOM 334 CG LEU A 978 42.286 -3.466 1.748 1.00 1.00 C ATOM 335 CD1 LEU A 978 42.910 -4.400 0.711 1.00 1.00 C ATOM 336 CD2 LEU A 978 43.366 -3.012 2.741 1.00 1.00 C ATOM 0 H LEU A 978 39.545 -3.058 1.961 1.00 1.00 H new ATOM 0 HA LEU A 978 41.458 -1.238 2.925 1.00 1.00 H new ATOM 0 HB2 LEU A 978 41.032 -2.587 0.219 1.00 1.00 H new ATOM 0 HB3 LEU A 978 42.457 -1.641 0.598 1.00 1.00 H new ATOM 0 HG LEU A 978 41.502 -3.990 2.295 1.00 1.00 H new ATOM 0 HD11 LEU A 978 43.348 -5.262 1.214 1.00 1.00 H new ATOM 0 HD12 LEU A 978 42.141 -4.738 0.016 1.00 1.00 H new ATOM 0 HD13 LEU A 978 43.686 -3.867 0.162 1.00 1.00 H new ATOM 0 HD21 LEU A 978 43.793 -3.883 3.238 1.00 1.00 H new ATOM 0 HD22 LEU A 978 44.151 -2.478 2.206 1.00 1.00 H new ATOM 0 HD23 LEU A 978 42.921 -2.352 3.485 1.00 1.00 H new ATOM 348 N LEU A 979 39.417 -0.100 0.594 1.00 1.00 N ATOM 349 CA LEU A 979 38.982 1.121 -0.079 1.00 1.00 C ATOM 350 C LEU A 979 38.593 2.190 0.936 1.00 1.00 C ATOM 351 O LEU A 979 38.957 3.357 0.791 1.00 1.00 O ATOM 352 CB LEU A 979 37.750 0.819 -0.934 1.00 1.00 C ATOM 353 CG LEU A 979 38.131 -0.067 -2.130 1.00 1.00 C ATOM 354 CD1 LEU A 979 36.863 -0.558 -2.840 1.00 1.00 C ATOM 355 CD2 LEU A 979 38.980 0.732 -3.127 1.00 1.00 C ATOM 0 H LEU A 979 38.852 -0.925 0.392 1.00 1.00 H new ATOM 0 HA LEU A 979 39.807 1.481 -0.693 1.00 1.00 H new ATOM 0 HB2 LEU A 979 36.994 0.319 -0.329 1.00 1.00 H new ATOM 0 HB3 LEU A 979 37.309 1.750 -1.289 1.00 1.00 H new ATOM 0 HG LEU A 979 38.703 -0.920 -1.763 1.00 1.00 H new ATOM 0 HD11 LEU A 979 37.140 -1.186 -3.687 1.00 1.00 H new ATOM 0 HD12 LEU A 979 36.256 -1.136 -2.143 1.00 1.00 H new ATOM 0 HD13 LEU A 979 36.290 0.299 -3.195 1.00 1.00 H new ATOM 0 HD21 LEU A 979 39.245 0.095 -3.971 1.00 1.00 H new ATOM 0 HD22 LEU A 979 38.410 1.590 -3.484 1.00 1.00 H new ATOM 0 HD23 LEU A 979 39.889 1.079 -2.635 1.00 1.00 H new ATOM 367 N LEU A 980 37.851 1.792 1.959 1.00 1.00 N ATOM 368 CA LEU A 980 37.431 2.736 2.984 1.00 1.00 C ATOM 369 C LEU A 980 38.639 3.258 3.763 1.00 1.00 C ATOM 370 O LEU A 980 38.730 4.446 4.072 1.00 1.00 O ATOM 371 CB LEU A 980 36.440 2.061 3.941 1.00 1.00 C ATOM 372 CG LEU A 980 35.942 3.066 4.990 1.00 1.00 C ATOM 373 CD1 LEU A 980 35.222 4.230 4.301 1.00 1.00 C ATOM 374 CD2 LEU A 980 34.966 2.363 5.935 1.00 1.00 C ATOM 0 H LEU A 980 37.531 0.834 2.101 1.00 1.00 H new ATOM 0 HA LEU A 980 36.942 3.581 2.499 1.00 1.00 H new ATOM 0 HB2 LEU A 980 35.595 1.663 3.379 1.00 1.00 H new ATOM 0 HB3 LEU A 980 36.920 1.217 4.436 1.00 1.00 H new ATOM 0 HG LEU A 980 36.794 3.451 5.550 1.00 1.00 H new ATOM 0 HD11 LEU A 980 34.872 4.938 5.053 1.00 1.00 H new ATOM 0 HD12 LEU A 980 35.910 4.733 3.622 1.00 1.00 H new ATOM 0 HD13 LEU A 980 34.370 3.849 3.738 1.00 1.00 H new ATOM 0 HD21 LEU A 980 34.609 3.072 6.682 1.00 1.00 H new ATOM 0 HD22 LEU A 980 34.120 1.980 5.365 1.00 1.00 H new ATOM 0 HD23 LEU A 980 35.473 1.536 6.432 1.00 1.00 H new ATOM 386 N THR A 981 39.550 2.345 4.098 1.00 1.00 N ATOM 387 CA THR A 981 40.740 2.694 4.871 1.00 1.00 C ATOM 388 C THR A 981 41.656 3.672 4.135 1.00 1.00 C ATOM 389 O THR A 981 42.119 4.650 4.723 1.00 1.00 O ATOM 390 CB THR A 981 41.525 1.422 5.205 1.00 1.00 C ATOM 391 OG1 THR A 981 40.711 0.559 5.988 1.00 1.00 O ATOM 392 CG2 THR A 981 42.784 1.792 5.990 1.00 1.00 C ATOM 0 H THR A 981 39.486 1.359 3.846 1.00 1.00 H new ATOM 0 HA THR A 981 40.398 3.187 5.781 1.00 1.00 H new ATOM 0 HB THR A 981 41.810 0.915 4.283 1.00 1.00 H new ATOM 0 HG1 THR A 981 40.072 0.096 5.407 1.00 1.00 H new ATOM 0 HG21 THR A 981 43.343 0.887 6.228 1.00 1.00 H new ATOM 0 HG22 THR A 981 43.406 2.455 5.389 1.00 1.00 H new ATOM 0 HG23 THR A 981 42.502 2.298 6.913 1.00 1.00 H new ATOM 400 N ILE A 982 41.932 3.408 2.862 1.00 1.00 N ATOM 401 CA ILE A 982 42.815 4.288 2.100 1.00 1.00 C ATOM 402 C ILE A 982 42.175 5.656 1.883 1.00 1.00 C ATOM 403 O ILE A 982 42.846 6.682 1.993 1.00 1.00 O ATOM 404 CB ILE A 982 43.197 3.649 0.758 1.00 1.00 C ATOM 405 CG1 ILE A 982 44.281 4.493 0.082 1.00 1.00 C ATOM 406 CG2 ILE A 982 41.977 3.560 -0.158 1.00 1.00 C ATOM 407 CD1 ILE A 982 44.860 3.726 -1.108 1.00 1.00 C ATOM 0 H ILE A 982 41.567 2.609 2.343 1.00 1.00 H new ATOM 0 HA ILE A 982 43.726 4.431 2.682 1.00 1.00 H new ATOM 0 HB ILE A 982 43.573 2.642 0.942 1.00 1.00 H new ATOM 0 HG12 ILE A 982 43.861 5.442 -0.253 1.00 1.00 H new ATOM 0 HG13 ILE A 982 45.071 4.728 0.795 1.00 1.00 H new ATOM 0 HG21 ILE A 982 42.266 3.105 -1.105 1.00 1.00 H new ATOM 0 HG22 ILE A 982 41.208 2.951 0.318 1.00 1.00 H new ATOM 0 HG23 ILE A 982 41.586 4.561 -0.341 1.00 1.00 H new ATOM 0 HD11 ILE A 982 45.631 4.328 -1.588 1.00 1.00 H new ATOM 0 HD12 ILE A 982 45.295 2.789 -0.760 1.00 1.00 H new ATOM 0 HD13 ILE A 982 44.067 3.514 -1.825 1.00 1.00 H new ATOM 419 N LEU A 983 40.881 5.672 1.582 1.00 1.00 N ATOM 420 CA LEU A 983 40.183 6.933 1.363 1.00 1.00 C ATOM 421 C LEU A 983 40.204 7.772 2.637 1.00 1.00 C ATOM 422 O LEU A 983 40.448 8.977 2.596 1.00 1.00 O ATOM 423 CB LEU A 983 38.733 6.660 0.938 1.00 1.00 C ATOM 424 CG LEU A 983 37.971 7.978 0.735 1.00 1.00 C ATOM 425 CD1 LEU A 983 38.686 8.842 -0.306 1.00 1.00 C ATOM 426 CD2 LEU A 983 36.552 7.673 0.247 1.00 1.00 C ATOM 0 H LEU A 983 40.301 4.839 1.485 1.00 1.00 H new ATOM 0 HA LEU A 983 40.689 7.484 0.570 1.00 1.00 H new ATOM 0 HB2 LEU A 983 38.722 6.082 0.014 1.00 1.00 H new ATOM 0 HB3 LEU A 983 38.233 6.058 1.697 1.00 1.00 H new ATOM 0 HG LEU A 983 37.931 8.516 1.682 1.00 1.00 H new ATOM 0 HD11 LEU A 983 38.138 9.774 -0.443 1.00 1.00 H new ATOM 0 HD12 LEU A 983 39.697 9.062 0.036 1.00 1.00 H new ATOM 0 HD13 LEU A 983 38.733 8.306 -1.254 1.00 1.00 H new ATOM 0 HD21 LEU A 983 36.009 8.607 0.102 1.00 1.00 H new ATOM 0 HD22 LEU A 983 36.601 7.131 -0.697 1.00 1.00 H new ATOM 0 HD23 LEU A 983 36.035 7.064 0.989 1.00 1.00 H new ATOM 438 N VAL A 984 39.953 7.120 3.767 1.00 1.00 N ATOM 439 CA VAL A 984 39.944 7.805 5.055 1.00 1.00 C ATOM 440 C VAL A 984 41.328 8.355 5.389 1.00 1.00 C ATOM 441 O VAL A 984 41.464 9.488 5.851 1.00 1.00 O ATOM 442 CB VAL A 984 39.503 6.838 6.153 1.00 1.00 C ATOM 443 CG1 VAL A 984 39.674 7.504 7.518 1.00 1.00 C ATOM 444 CG2 VAL A 984 38.032 6.469 5.946 1.00 1.00 C ATOM 0 H VAL A 984 39.754 6.121 3.818 1.00 1.00 H new ATOM 0 HA VAL A 984 39.243 8.638 4.994 1.00 1.00 H new ATOM 0 HB VAL A 984 40.114 5.936 6.110 1.00 1.00 H new ATOM 0 HG11 VAL A 984 39.359 6.814 8.301 1.00 1.00 H new ATOM 0 HG12 VAL A 984 40.721 7.768 7.666 1.00 1.00 H new ATOM 0 HG13 VAL A 984 39.063 8.406 7.562 1.00 1.00 H new ATOM 0 HG21 VAL A 984 37.716 5.779 6.729 1.00 1.00 H new ATOM 0 HG22 VAL A 984 37.421 7.371 5.989 1.00 1.00 H new ATOM 0 HG23 VAL A 984 37.910 5.994 4.973 1.00 1.00 H new ATOM 454 N LEU A 985 42.349 7.536 5.166 1.00 1.00 N ATOM 455 CA LEU A 985 43.722 7.933 5.460 1.00 1.00 C ATOM 456 C LEU A 985 44.141 9.142 4.626 1.00 1.00 C ATOM 457 O LEU A 985 44.790 10.055 5.134 1.00 1.00 O ATOM 458 CB LEU A 985 44.665 6.757 5.170 1.00 1.00 C ATOM 459 CG LEU A 985 46.123 7.151 5.444 1.00 1.00 C ATOM 460 CD1 LEU A 985 46.278 7.616 6.894 1.00 1.00 C ATOM 461 CD2 LEU A 985 47.024 5.937 5.205 1.00 1.00 C ATOM 0 H LEU A 985 42.253 6.595 4.784 1.00 1.00 H new ATOM 0 HA LEU A 985 43.781 8.210 6.513 1.00 1.00 H new ATOM 0 HB2 LEU A 985 44.391 5.903 5.790 1.00 1.00 H new ATOM 0 HB3 LEU A 985 44.556 6.445 4.131 1.00 1.00 H new ATOM 0 HG LEU A 985 46.406 7.964 4.776 1.00 1.00 H new ATOM 0 HD11 LEU A 985 47.316 7.893 7.078 1.00 1.00 H new ATOM 0 HD12 LEU A 985 45.635 8.479 7.070 1.00 1.00 H new ATOM 0 HD13 LEU A 985 45.993 6.808 7.568 1.00 1.00 H new ATOM 0 HD21 LEU A 985 48.061 6.210 5.398 1.00 1.00 H new ATOM 0 HD22 LEU A 985 46.731 5.129 5.875 1.00 1.00 H new ATOM 0 HD23 LEU A 985 46.922 5.606 4.171 1.00 1.00 H new ATOM 473 N ALA A 986 43.791 9.138 3.346 1.00 1.00 N ATOM 474 CA ALA A 986 44.169 10.242 2.469 1.00 1.00 C ATOM 475 C ALA A 986 43.545 11.556 2.938 1.00 1.00 C ATOM 476 O ALA A 986 44.211 12.590 2.967 1.00 1.00 O ATOM 477 CB ALA A 986 43.721 9.946 1.038 1.00 1.00 C ATOM 0 H ALA A 986 43.255 8.396 2.896 1.00 1.00 H new ATOM 0 HA ALA A 986 45.254 10.344 2.501 1.00 1.00 H new ATOM 0 HB1 ALA A 986 44.006 10.774 0.389 1.00 1.00 H new ATOM 0 HB2 ALA A 986 44.199 9.030 0.689 1.00 1.00 H new ATOM 0 HB3 ALA A 986 42.638 9.822 1.014 1.00 1.00 H new ATOM 483 N MET A 987 42.268 11.513 3.309 1.00 1.00 N ATOM 484 CA MET A 987 41.580 12.713 3.783 1.00 1.00 C ATOM 485 C MET A 987 42.180 13.193 5.106 1.00 1.00 C ATOM 486 O MET A 987 42.343 14.392 5.331 1.00 1.00 O ATOM 487 CB MET A 987 40.083 12.429 3.964 1.00 1.00 C ATOM 488 CG MET A 987 39.435 12.081 2.613 1.00 1.00 C ATOM 489 SD MET A 987 39.596 13.467 1.450 1.00 1.00 S ATOM 490 CE MET A 987 38.404 14.587 2.227 1.00 1.00 C ATOM 0 H MET A 987 41.693 10.671 3.292 1.00 1.00 H new ATOM 0 HA MET A 987 41.708 13.497 3.037 1.00 1.00 H new ATOM 0 HB2 MET A 987 39.945 11.605 4.664 1.00 1.00 H new ATOM 0 HB3 MET A 987 39.591 13.300 4.397 1.00 1.00 H new ATOM 0 HG2 MET A 987 39.908 11.192 2.195 1.00 1.00 H new ATOM 0 HG3 MET A 987 38.381 11.843 2.760 1.00 1.00 H new ATOM 0 HE1 MET A 987 38.070 15.325 1.498 1.00 1.00 H new ATOM 0 HE2 MET A 987 37.547 14.016 2.584 1.00 1.00 H new ATOM 0 HE3 MET A 987 38.877 15.095 3.068 1.00 1.00 H new ATOM 500 N TRP A 988 42.508 12.242 5.972 1.00 1.00 N ATOM 501 CA TRP A 988 43.100 12.556 7.273 1.00 1.00 C ATOM 502 C TRP A 988 44.471 13.204 7.091 1.00 1.00 C ATOM 503 O TRP A 988 44.856 14.106 7.835 1.00 1.00 O ATOM 504 CB TRP A 988 43.229 11.285 8.118 1.00 1.00 C ATOM 505 CG TRP A 988 44.078 11.547 9.326 1.00 1.00 C ATOM 506 CD1 TRP A 988 44.161 12.727 9.992 1.00 1.00 C ATOM 507 CD2 TRP A 988 44.969 10.627 10.020 1.00 1.00 C ATOM 508 NE1 TRP A 988 45.045 12.583 11.045 1.00 1.00 N ATOM 509 CE2 TRP A 988 45.569 11.308 11.104 1.00 1.00 C ATOM 510 CE3 TRP A 988 45.309 9.278 9.814 1.00 1.00 C ATOM 511 CZ2 TRP A 988 46.476 10.674 11.955 1.00 1.00 C ATOM 512 CZ3 TRP A 988 46.221 8.636 10.667 1.00 1.00 C ATOM 513 CH2 TRP A 988 46.804 9.333 11.735 1.00 1.00 C ATOM 0 H TRP A 988 42.375 11.245 5.800 1.00 1.00 H new ATOM 0 HA TRP A 988 42.446 13.258 7.790 1.00 1.00 H new ATOM 0 HB2 TRP A 988 42.241 10.944 8.427 1.00 1.00 H new ATOM 0 HB3 TRP A 988 43.670 10.487 7.521 1.00 1.00 H new ATOM 0 HD1 TRP A 988 43.625 13.630 9.740 1.00 1.00 H new ATOM 0 HE1 TRP A 988 45.281 13.329 11.699 1.00 1.00 H new ATOM 0 HE3 TRP A 988 44.866 8.732 8.994 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 46.921 11.215 12.777 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 46.475 7.600 10.500 1.00 1.00 H new ATOM 0 HH2 TRP A 988 47.506 8.834 12.387 1.00 1.00 H new ATOM 524 N LYS A 989 45.214 12.708 6.113 1.00 1.00 N ATOM 525 CA LYS A 989 46.556 13.208 5.845 1.00 1.00 C ATOM 526 C LYS A 989 46.503 14.660 5.359 1.00 1.00 C ATOM 527 O LYS A 989 47.528 15.338 5.302 1.00 1.00 O ATOM 528 CB LYS A 989 47.217 12.340 4.761 1.00 1.00 C ATOM 529 CG LYS A 989 48.459 11.588 5.299 1.00 1.00 C ATOM 530 CD LYS A 989 49.733 12.462 5.235 1.00 1.00 C ATOM 531 CE LYS A 989 49.867 13.336 6.490 1.00 1.00 C ATOM 532 NZ LYS A 989 51.246 13.895 6.552 1.00 1.00 N ATOM 0 H LYS A 989 44.911 11.959 5.491 1.00 1.00 H new ATOM 0 HA LYS A 989 47.135 13.164 6.768 1.00 1.00 H new ATOM 0 HB2 LYS A 989 46.493 11.619 4.382 1.00 1.00 H new ATOM 0 HB3 LYS A 989 47.510 12.970 3.921 1.00 1.00 H new ATOM 0 HG2 LYS A 989 48.280 11.282 6.330 1.00 1.00 H new ATOM 0 HG3 LYS A 989 48.613 10.678 4.718 1.00 1.00 H new ATOM 0 HD2 LYS A 989 50.611 11.824 5.137 1.00 1.00 H new ATOM 0 HD3 LYS A 989 49.699 13.096 4.349 1.00 1.00 H new ATOM 0 HE2 LYS A 989 49.135 14.143 6.465 1.00 1.00 H new ATOM 0 HE3 LYS A 989 49.660 12.746 7.383 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 51.342 14.488 7.401 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 51.935 13.117 6.594 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 51.426 14.471 5.705 1.00 1.00 H new ATOM 546 N VAL A 990 45.312 15.144 5.013 1.00 1.00 N ATOM 547 CA VAL A 990 45.185 16.516 4.543 1.00 1.00 C ATOM 548 C VAL A 990 44.998 17.449 5.732 1.00 1.00 C ATOM 549 O VAL A 990 45.235 18.654 5.635 1.00 1.00 O ATOM 550 CB VAL A 990 43.991 16.650 3.595 1.00 1.00 C ATOM 551 CG1 VAL A 990 43.796 18.122 3.229 1.00 1.00 C ATOM 552 CG2 VAL A 990 44.252 15.843 2.319 1.00 1.00 C ATOM 0 H VAL A 990 44.439 14.617 5.049 1.00 1.00 H new ATOM 0 HA VAL A 990 46.093 16.786 4.004 1.00 1.00 H new ATOM 0 HB VAL A 990 43.096 16.271 4.088 1.00 1.00 H new ATOM 0 HG11 VAL A 990 42.946 18.219 2.554 1.00 1.00 H new ATOM 0 HG12 VAL A 990 43.609 18.700 4.134 1.00 1.00 H new ATOM 0 HG13 VAL A 990 44.694 18.497 2.738 1.00 1.00 H new ATOM 0 HG21 VAL A 990 43.400 15.940 1.646 1.00 1.00 H new ATOM 0 HG22 VAL A 990 45.148 16.220 1.827 1.00 1.00 H new ATOM 0 HG23 VAL A 990 44.394 14.793 2.575 1.00 1.00 H new ATOM 562 N GLY A 991 44.573 16.878 6.852 1.00 1.00 N ATOM 563 CA GLY A 991 44.357 17.657 8.061 1.00 1.00 C ATOM 564 C GLY A 991 43.016 18.366 7.998 1.00 1.00 C ATOM 565 O GLY A 991 42.678 19.165 8.872 1.00 1.00 O ATOM 0 H GLY A 991 44.372 15.882 6.947 1.00 1.00 H new ATOM 0 HA2 GLY A 991 44.390 17.004 8.933 1.00 1.00 H new ATOM 0 HA3 GLY A 991 45.157 18.388 8.179 1.00 1.00 H new ATOM 569 N PHE A 992 42.254 18.066 6.953 1.00 1.00 N ATOM 570 CA PHE A 992 40.945 18.682 6.777 1.00 1.00 C ATOM 571 C PHE A 992 40.022 18.324 7.936 1.00 1.00 C ATOM 572 O PHE A 992 39.285 19.173 8.438 1.00 1.00 O ATOM 573 CB PHE A 992 40.325 18.232 5.448 1.00 1.00 C ATOM 574 CG PHE A 992 38.919 18.790 5.247 1.00 1.00 C ATOM 575 CD1 PHE A 992 38.533 20.055 5.742 1.00 1.00 C ATOM 576 CD2 PHE A 992 37.986 18.014 4.546 1.00 1.00 C ATOM 577 CE1 PHE A 992 37.232 20.523 5.529 1.00 1.00 C ATOM 578 CE2 PHE A 992 36.687 18.488 4.336 1.00 1.00 C ATOM 579 CZ PHE A 992 36.310 19.741 4.828 1.00 1.00 C ATOM 0 H PHE A 992 42.517 17.406 6.221 1.00 1.00 H new ATOM 0 HA PHE A 992 41.072 19.764 6.760 1.00 1.00 H new ATOM 0 HB2 PHE A 992 40.963 18.554 4.625 1.00 1.00 H new ATOM 0 HB3 PHE A 992 40.289 17.143 5.416 1.00 1.00 H new ATOM 0 HD1 PHE A 992 39.243 20.661 6.285 1.00 1.00 H new ATOM 0 HD2 PHE A 992 38.272 17.044 4.166 1.00 1.00 H new ATOM 0 HE1 PHE A 992 36.939 21.491 5.907 1.00 1.00 H new ATOM 0 HE2 PHE A 992 35.974 17.885 3.793 1.00 1.00 H new ATOM 0 HZ PHE A 992 35.306 20.105 4.666 1.00 1.00 H new ATOM 589 N PHE A 993 40.057 17.060 8.353 1.00 1.00 N ATOM 590 CA PHE A 993 39.205 16.612 9.450 1.00 1.00 C ATOM 591 C PHE A 993 39.897 16.795 10.797 1.00 1.00 C ATOM 592 O PHE A 993 39.290 16.569 11.844 1.00 1.00 O ATOM 593 CB PHE A 993 38.832 15.141 9.264 1.00 1.00 C ATOM 594 CG PHE A 993 37.801 15.021 8.170 1.00 1.00 C ATOM 595 CD1 PHE A 993 36.449 15.244 8.457 1.00 1.00 C ATOM 596 CD2 PHE A 993 38.194 14.686 6.871 1.00 1.00 C ATOM 597 CE1 PHE A 993 35.492 15.132 7.444 1.00 1.00 C ATOM 598 CE2 PHE A 993 37.237 14.574 5.858 1.00 1.00 C ATOM 599 CZ PHE A 993 35.885 14.797 6.144 1.00 1.00 C ATOM 0 H PHE A 993 40.657 16.338 7.954 1.00 1.00 H new ATOM 0 HA PHE A 993 38.301 17.221 9.439 1.00 1.00 H new ATOM 0 HB2 PHE A 993 39.718 14.559 9.010 1.00 1.00 H new ATOM 0 HB3 PHE A 993 38.439 14.733 10.195 1.00 1.00 H new ATOM 0 HD1 PHE A 993 36.145 15.502 9.461 1.00 1.00 H new ATOM 0 HD2 PHE A 993 39.237 14.514 6.650 1.00 1.00 H new ATOM 0 HE1 PHE A 993 34.449 15.304 7.665 1.00 1.00 H new ATOM 0 HE2 PHE A 993 37.541 14.315 4.854 1.00 1.00 H new ATOM 0 HZ PHE A 993 35.146 14.710 5.361 1.00 1.00 H new ATOM 609 N LYS A 994 41.157 17.222 10.765 1.00 1.00 N ATOM 610 CA LYS A 994 41.905 17.452 11.996 1.00 1.00 C ATOM 611 C LYS A 994 42.248 18.932 12.120 1.00 1.00 C ATOM 612 O LYS A 994 42.865 19.512 11.227 1.00 1.00 O ATOM 613 CB LYS A 994 43.193 16.624 11.992 1.00 1.00 C ATOM 614 CG LYS A 994 43.923 16.805 13.325 1.00 1.00 C ATOM 615 CD LYS A 994 45.180 15.934 13.338 1.00 1.00 C ATOM 616 CE LYS A 994 45.903 16.103 14.675 1.00 1.00 C ATOM 617 NZ LYS A 994 47.120 15.242 14.693 1.00 1.00 N ATOM 0 H LYS A 994 41.677 17.414 9.908 1.00 1.00 H new ATOM 0 HA LYS A 994 41.291 17.150 12.845 1.00 1.00 H new ATOM 0 HB2 LYS A 994 42.960 15.571 11.833 1.00 1.00 H new ATOM 0 HB3 LYS A 994 43.835 16.936 11.169 1.00 1.00 H new ATOM 0 HG2 LYS A 994 44.191 17.852 13.466 1.00 1.00 H new ATOM 0 HG3 LYS A 994 43.268 16.530 14.151 1.00 1.00 H new ATOM 0 HD2 LYS A 994 44.912 14.888 13.187 1.00 1.00 H new ATOM 0 HD3 LYS A 994 45.840 16.216 12.517 1.00 1.00 H new ATOM 0 HE2 LYS A 994 46.181 17.147 14.821 1.00 1.00 H new ATOM 0 HE3 LYS A 994 45.240 15.831 15.496 1.00 1.00 H new ATOM 0 HZ1 LYS A 994 47.613 15.356 15.602 1.00 1.00 H new ATOM 0 HZ2 LYS A 994 46.843 14.247 14.572 1.00 1.00 H new ATOM 0 HZ3 LYS A 994 47.755 15.522 13.918 1.00 1.00 H new ATOM 631 N ARG A 995 41.845 19.540 13.231 1.00 1.00 N ATOM 632 CA ARG A 995 42.115 20.948 13.462 1.00 1.00 C ATOM 633 C ARG A 995 42.477 21.159 14.921 1.00 1.00 C ATOM 634 O ARG A 995 42.065 20.383 15.783 1.00 1.00 O ATOM 635 CB ARG A 995 40.886 21.788 13.093 1.00 1.00 C ATOM 636 CG ARG A 995 40.654 21.709 11.582 1.00 1.00 C ATOM 637 CD ARG A 995 39.414 22.520 11.203 1.00 1.00 C ATOM 638 NE ARG A 995 38.208 21.883 11.720 1.00 1.00 N ATOM 639 CZ ARG A 995 37.012 22.422 11.515 1.00 1.00 C ATOM 640 NH1 ARG A 995 36.909 23.536 10.845 1.00 1.00 N ATOM 641 NH2 ARG A 995 35.941 21.841 11.983 1.00 1.00 N ATOM 0 H ARG A 995 41.332 19.078 13.982 1.00 1.00 H new ATOM 0 HA ARG A 995 42.950 21.263 12.836 1.00 1.00 H new ATOM 0 HB2 ARG A 995 40.008 21.423 13.627 1.00 1.00 H new ATOM 0 HB3 ARG A 995 41.035 22.824 13.396 1.00 1.00 H new ATOM 0 HG2 ARG A 995 41.526 22.091 11.051 1.00 1.00 H new ATOM 0 HG3 ARG A 995 40.526 20.670 11.279 1.00 1.00 H new ATOM 0 HD2 ARG A 995 39.498 23.531 11.602 1.00 1.00 H new ATOM 0 HD3 ARG A 995 39.349 22.610 10.119 1.00 1.00 H new ATOM 0 HE ARG A 995 38.284 21.012 12.246 1.00 1.00 H new ATOM 0 HH11 ARG A 995 37.746 23.991 10.480 1.00 1.00 H new ATOM 0 HH12 ARG A 995 35.992 23.952 10.686 1.00 1.00 H new ATOM 0 HH21 ARG A 995 36.021 20.970 12.508 1.00 1.00 H new ATOM 0 HH22 ARG A 995 35.024 22.258 11.824 1.00 1.00 H new ATOM 808 N ASP B 692 28.273 -16.229 -12.889 1.00 1.00 N ATOM 809 CA ASP B 692 27.538 -15.442 -11.903 1.00 1.00 C ATOM 810 C ASP B 692 28.427 -15.073 -10.717 1.00 1.00 C ATOM 811 O ASP B 692 28.050 -14.247 -9.884 1.00 1.00 O ATOM 812 CB ASP B 692 26.329 -16.233 -11.403 1.00 1.00 C ATOM 813 CG ASP B 692 25.276 -16.332 -12.503 1.00 1.00 C ATOM 814 OD1 ASP B 692 25.382 -15.592 -13.466 1.00 1.00 O ATOM 815 OD2 ASP B 692 24.380 -17.147 -12.364 1.00 1.00 O ATOM 0 HA ASP B 692 27.206 -14.523 -12.386 1.00 1.00 H new ATOM 0 HB2 ASP B 692 26.640 -17.231 -11.095 1.00 1.00 H new ATOM 0 HB3 ASP B 692 25.904 -15.747 -10.525 1.00 1.00 H new ATOM 820 N ILE B 693 29.604 -15.682 -10.642 1.00 1.00 N ATOM 821 CA ILE B 693 30.525 -15.396 -9.548 1.00 1.00 C ATOM 822 C ILE B 693 31.004 -13.949 -9.632 1.00 1.00 C ATOM 823 O ILE B 693 31.144 -13.271 -8.614 1.00 1.00 O ATOM 824 CB ILE B 693 31.730 -16.344 -9.600 1.00 1.00 C ATOM 825 CG1 ILE B 693 32.511 -16.269 -8.279 1.00 1.00 C ATOM 826 CG2 ILE B 693 32.661 -15.934 -10.745 1.00 1.00 C ATOM 827 CD1 ILE B 693 31.666 -16.824 -7.125 1.00 1.00 C ATOM 0 H ILE B 693 29.941 -16.369 -11.316 1.00 1.00 H new ATOM 0 HA ILE B 693 29.999 -15.546 -8.605 1.00 1.00 H new ATOM 0 HB ILE B 693 31.370 -17.361 -9.759 1.00 1.00 H new ATOM 0 HG12 ILE B 693 33.438 -16.836 -8.365 1.00 1.00 H new ATOM 0 HG13 ILE B 693 32.788 -15.235 -8.071 1.00 1.00 H new ATOM 0 HG21 ILE B 693 33.516 -16.610 -10.779 1.00 1.00 H new ATOM 0 HG22 ILE B 693 32.120 -15.986 -11.690 1.00 1.00 H new ATOM 0 HG23 ILE B 693 33.011 -14.915 -10.582 1.00 1.00 H new ATOM 0 HD11 ILE B 693 32.234 -16.764 -6.197 1.00 1.00 H new ATOM 0 HD12 ILE B 693 30.751 -16.239 -7.030 1.00 1.00 H new ATOM 0 HD13 ILE B 693 31.412 -17.864 -7.328 1.00 1.00 H new ATOM 839 N LEU B 694 31.251 -13.485 -10.851 1.00 1.00 N ATOM 840 CA LEU B 694 31.712 -12.117 -11.063 1.00 1.00 C ATOM 841 C LEU B 694 30.658 -11.123 -10.588 1.00 1.00 C ATOM 842 O LEU B 694 30.981 -10.113 -9.967 1.00 1.00 O ATOM 843 CB LEU B 694 32.003 -11.885 -12.547 1.00 1.00 C ATOM 844 CG LEU B 694 33.239 -12.692 -12.964 1.00 1.00 C ATOM 845 CD1 LEU B 694 33.394 -12.632 -14.484 1.00 1.00 C ATOM 846 CD2 LEU B 694 34.500 -12.119 -12.300 1.00 1.00 C ATOM 0 H LEU B 694 31.141 -14.032 -11.705 1.00 1.00 H new ATOM 0 HA LEU B 694 32.626 -11.967 -10.489 1.00 1.00 H new ATOM 0 HB2 LEU B 694 31.143 -12.183 -13.147 1.00 1.00 H new ATOM 0 HB3 LEU B 694 32.170 -10.824 -12.733 1.00 1.00 H new ATOM 0 HG LEU B 694 33.111 -13.726 -12.644 1.00 1.00 H new ATOM 0 HD11 LEU B 694 34.272 -13.205 -14.783 1.00 1.00 H new ATOM 0 HD12 LEU B 694 32.507 -13.054 -14.957 1.00 1.00 H new ATOM 0 HD13 LEU B 694 33.514 -11.595 -14.797 1.00 1.00 H new ATOM 0 HD21 LEU B 694 35.369 -12.702 -12.605 1.00 1.00 H new ATOM 0 HD22 LEU B 694 34.633 -11.082 -12.607 1.00 1.00 H new ATOM 0 HD23 LEU B 694 34.394 -12.166 -11.216 1.00 1.00 H new ATOM 858 N VAL B 695 29.397 -11.418 -10.884 1.00 1.00 N ATOM 859 CA VAL B 695 28.302 -10.543 -10.481 1.00 1.00 C ATOM 860 C VAL B 695 28.239 -10.439 -8.962 1.00 1.00 C ATOM 861 O VAL B 695 28.078 -9.351 -8.410 1.00 1.00 O ATOM 862 CB VAL B 695 26.974 -11.087 -11.012 1.00 1.00 C ATOM 863 CG1 VAL B 695 25.816 -10.282 -10.416 1.00 1.00 C ATOM 864 CG2 VAL B 695 26.948 -10.967 -12.537 1.00 1.00 C ATOM 0 H VAL B 695 29.109 -12.250 -11.398 1.00 1.00 H new ATOM 0 HA VAL B 695 28.479 -9.552 -10.898 1.00 1.00 H new ATOM 0 HB VAL B 695 26.871 -12.134 -10.728 1.00 1.00 H new ATOM 0 HG11 VAL B 695 24.870 -10.670 -10.795 1.00 1.00 H new ATOM 0 HG12 VAL B 695 25.834 -10.368 -9.330 1.00 1.00 H new ATOM 0 HG13 VAL B 695 25.918 -9.234 -10.699 1.00 1.00 H new ATOM 0 HG21 VAL B 695 26.002 -11.354 -12.916 1.00 1.00 H new ATOM 0 HG22 VAL B 695 27.052 -9.920 -12.821 1.00 1.00 H new ATOM 0 HG23 VAL B 695 27.772 -11.541 -12.961 1.00 1.00 H new ATOM 874 N VAL B 696 28.362 -11.579 -8.290 1.00 1.00 N ATOM 875 CA VAL B 696 28.315 -11.604 -6.833 1.00 1.00 C ATOM 876 C VAL B 696 29.461 -10.787 -6.242 1.00 1.00 C ATOM 877 O VAL B 696 29.259 -10.003 -5.314 1.00 1.00 O ATOM 878 CB VAL B 696 28.402 -13.046 -6.331 1.00 1.00 C ATOM 879 CG1 VAL B 696 28.561 -13.047 -4.810 1.00 1.00 C ATOM 880 CG2 VAL B 696 27.119 -13.790 -6.707 1.00 1.00 C ATOM 0 H VAL B 696 28.494 -12.491 -8.727 1.00 1.00 H new ATOM 0 HA VAL B 696 27.370 -11.165 -6.514 1.00 1.00 H new ATOM 0 HB VAL B 696 29.260 -13.540 -6.787 1.00 1.00 H new ATOM 0 HG11 VAL B 696 28.623 -14.074 -4.451 1.00 1.00 H new ATOM 0 HG12 VAL B 696 29.471 -12.512 -4.539 1.00 1.00 H new ATOM 0 HG13 VAL B 696 27.702 -12.555 -4.354 1.00 1.00 H new ATOM 0 HG21 VAL B 696 27.177 -14.819 -6.351 1.00 1.00 H new ATOM 0 HG22 VAL B 696 26.263 -13.295 -6.248 1.00 1.00 H new ATOM 0 HG23 VAL B 696 27.001 -13.787 -7.791 1.00 1.00 H new ATOM 890 N LEU B 697 30.664 -10.970 -6.782 1.00 1.00 N ATOM 891 CA LEU B 697 31.831 -10.241 -6.288 1.00 1.00 C ATOM 892 C LEU B 697 31.644 -8.737 -6.480 1.00 1.00 C ATOM 893 O LEU B 697 31.947 -7.946 -5.586 1.00 1.00 O ATOM 894 CB LEU B 697 33.086 -10.708 -7.038 1.00 1.00 C ATOM 895 CG LEU B 697 34.319 -9.932 -6.557 1.00 1.00 C ATOM 896 CD1 LEU B 697 34.494 -10.110 -5.048 1.00 1.00 C ATOM 897 CD2 LEU B 697 35.559 -10.471 -7.272 1.00 1.00 C ATOM 0 H LEU B 697 30.856 -11.609 -7.553 1.00 1.00 H new ATOM 0 HA LEU B 697 31.946 -10.444 -5.223 1.00 1.00 H new ATOM 0 HB2 LEU B 697 33.236 -11.776 -6.879 1.00 1.00 H new ATOM 0 HB3 LEU B 697 32.952 -10.562 -8.110 1.00 1.00 H new ATOM 0 HG LEU B 697 34.187 -8.873 -6.780 1.00 1.00 H new ATOM 0 HD11 LEU B 697 35.372 -9.556 -4.716 1.00 1.00 H new ATOM 0 HD12 LEU B 697 33.610 -9.734 -4.532 1.00 1.00 H new ATOM 0 HD13 LEU B 697 34.625 -11.168 -4.819 1.00 1.00 H new ATOM 0 HD21 LEU B 697 36.440 -9.924 -6.935 1.00 1.00 H new ATOM 0 HD22 LEU B 697 35.680 -11.530 -7.043 1.00 1.00 H new ATOM 0 HD23 LEU B 697 35.443 -10.344 -8.348 1.00 1.00 H new ATOM 909 N LEU B 698 31.135 -8.353 -7.648 1.00 1.00 N ATOM 910 CA LEU B 698 30.892 -6.944 -7.950 1.00 1.00 C ATOM 911 C LEU B 698 29.837 -6.363 -7.004 1.00 1.00 C ATOM 912 O LEU B 698 29.959 -5.226 -6.546 1.00 1.00 O ATOM 913 CB LEU B 698 30.429 -6.782 -9.401 1.00 1.00 C ATOM 914 CG LEU B 698 31.593 -7.082 -10.359 1.00 1.00 C ATOM 915 CD1 LEU B 698 31.074 -7.156 -11.798 1.00 1.00 C ATOM 916 CD2 LEU B 698 32.655 -5.977 -10.264 1.00 1.00 C ATOM 0 H LEU B 698 30.883 -8.995 -8.399 1.00 1.00 H new ATOM 0 HA LEU B 698 31.827 -6.401 -7.811 1.00 1.00 H new ATOM 0 HB2 LEU B 698 29.597 -7.456 -9.604 1.00 1.00 H new ATOM 0 HB3 LEU B 698 30.064 -5.768 -9.564 1.00 1.00 H new ATOM 0 HG LEU B 698 32.039 -8.036 -10.079 1.00 1.00 H new ATOM 0 HD11 LEU B 698 31.903 -7.369 -12.473 1.00 1.00 H new ATOM 0 HD12 LEU B 698 30.330 -7.948 -11.876 1.00 1.00 H new ATOM 0 HD13 LEU B 698 30.620 -6.203 -12.070 1.00 1.00 H new ATOM 0 HD21 LEU B 698 33.475 -6.200 -10.947 1.00 1.00 H new ATOM 0 HD22 LEU B 698 32.209 -5.020 -10.533 1.00 1.00 H new ATOM 0 HD23 LEU B 698 33.036 -5.926 -9.244 1.00 1.00 H new ATOM 928 N SER B 699 28.810 -7.157 -6.721 1.00 1.00 N ATOM 929 CA SER B 699 27.732 -6.742 -5.824 1.00 1.00 C ATOM 930 C SER B 699 28.280 -6.429 -4.429 1.00 1.00 C ATOM 931 O SER B 699 27.879 -5.454 -3.782 1.00 1.00 O ATOM 932 CB SER B 699 26.689 -7.857 -5.718 1.00 1.00 C ATOM 933 OG SER B 699 25.968 -7.963 -6.944 1.00 1.00 O ATOM 0 H SER B 699 28.699 -8.097 -7.101 1.00 1.00 H new ATOM 0 HA SER B 699 27.272 -5.842 -6.233 1.00 1.00 H new ATOM 0 HB2 SER B 699 27.178 -8.804 -5.490 1.00 1.00 H new ATOM 0 HB3 SER B 699 26.002 -7.648 -4.898 1.00 1.00 H new ATOM 0 HG SER B 699 26.528 -8.406 -7.615 1.00 1.00 H new ATOM 939 N VAL B 700 29.185 -7.269 -3.954 1.00 1.00 N ATOM 940 CA VAL B 700 29.749 -7.033 -2.629 1.00 1.00 C ATOM 941 C VAL B 700 30.564 -5.742 -2.607 1.00 1.00 C ATOM 942 O VAL B 700 30.433 -4.925 -1.691 1.00 1.00 O ATOM 943 CB VAL B 700 30.646 -8.190 -2.175 1.00 1.00 C ATOM 944 CG1 VAL B 700 31.419 -7.766 -0.918 1.00 1.00 C ATOM 945 CG2 VAL B 700 29.798 -9.414 -1.830 1.00 1.00 C ATOM 0 H VAL B 700 29.537 -8.092 -4.442 1.00 1.00 H new ATOM 0 HA VAL B 700 28.907 -6.951 -1.942 1.00 1.00 H new ATOM 0 HB VAL B 700 31.334 -8.439 -2.983 1.00 1.00 H new ATOM 0 HG11 VAL B 700 32.059 -8.585 -0.591 1.00 1.00 H new ATOM 0 HG12 VAL B 700 32.033 -6.895 -1.145 1.00 1.00 H new ATOM 0 HG13 VAL B 700 30.715 -7.516 -0.125 1.00 1.00 H new ATOM 0 HG21 VAL B 700 30.448 -10.228 -1.509 1.00 1.00 H new ATOM 0 HG22 VAL B 700 29.107 -9.163 -1.025 1.00 1.00 H new ATOM 0 HG23 VAL B 700 29.234 -9.725 -2.709 1.00 1.00 H new ATOM 955 N MET B 701 31.401 -5.567 -3.625 1.00 1.00 N ATOM 956 CA MET B 701 32.233 -4.371 -3.733 1.00 1.00 C ATOM 957 C MET B 701 31.382 -3.117 -3.889 1.00 1.00 C ATOM 958 O MET B 701 31.689 -2.082 -3.308 1.00 1.00 O ATOM 959 CB MET B 701 33.168 -4.486 -4.942 1.00 1.00 C ATOM 960 CG MET B 701 34.163 -5.623 -4.705 1.00 1.00 C ATOM 961 SD MET B 701 35.210 -5.844 -6.170 1.00 1.00 S ATOM 962 CE MET B 701 36.102 -4.274 -6.067 1.00 1.00 C ATOM 0 H MET B 701 31.522 -6.236 -4.386 1.00 1.00 H new ATOM 0 HA MET B 701 32.815 -4.292 -2.815 1.00 1.00 H new ATOM 0 HB2 MET B 701 32.590 -4.676 -5.846 1.00 1.00 H new ATOM 0 HB3 MET B 701 33.700 -3.547 -5.095 1.00 1.00 H new ATOM 0 HG2 MET B 701 34.782 -5.401 -3.835 1.00 1.00 H new ATOM 0 HG3 MET B 701 33.627 -6.547 -4.488 1.00 1.00 H new ATOM 0 HE1 MET B 701 37.066 -4.370 -6.566 1.00 1.00 H new ATOM 0 HE2 MET B 701 35.518 -3.491 -6.552 1.00 1.00 H new ATOM 0 HE3 MET B 701 36.260 -4.013 -5.020 1.00 1.00 H new ATOM 972 N GLY B 702 30.325 -3.213 -4.690 1.00 1.00 N ATOM 973 CA GLY B 702 29.458 -2.066 -4.927 1.00 1.00 C ATOM 974 C GLY B 702 28.772 -1.594 -3.648 1.00 1.00 C ATOM 975 O GLY B 702 28.682 -0.393 -3.395 1.00 1.00 O ATOM 0 H GLY B 702 30.051 -4.064 -5.181 1.00 1.00 H new ATOM 0 HA2 GLY B 702 30.045 -1.249 -5.347 1.00 1.00 H new ATOM 0 HA3 GLY B 702 28.703 -2.329 -5.668 1.00 1.00 H new ATOM 979 N ALA B 703 28.285 -2.536 -2.846 1.00 1.00 N ATOM 980 CA ALA B 703 27.606 -2.181 -1.604 1.00 1.00 C ATOM 981 C ALA B 703 28.573 -1.519 -0.630 1.00 1.00 C ATOM 982 O ALA B 703 28.229 -0.547 0.041 1.00 1.00 O ATOM 983 CB ALA B 703 27.003 -3.433 -0.960 1.00 1.00 C ATOM 0 H ALA B 703 28.346 -3.537 -3.030 1.00 1.00 H new ATOM 0 HA ALA B 703 26.810 -1.475 -1.839 1.00 1.00 H new ATOM 0 HB1 ALA B 703 26.498 -3.159 -0.034 1.00 1.00 H new ATOM 0 HB2 ALA B 703 26.285 -3.884 -1.645 1.00 1.00 H new ATOM 0 HB3 ALA B 703 27.796 -4.148 -0.743 1.00 1.00 H new ATOM 989 N ILE B 704 29.784 -2.054 -0.563 1.00 1.00 N ATOM 990 CA ILE B 704 30.803 -1.518 0.329 1.00 1.00 C ATOM 991 C ILE B 704 31.188 -0.101 -0.086 1.00 1.00 C ATOM 992 O ILE B 704 31.343 0.780 0.759 1.00 1.00 O ATOM 993 CB ILE B 704 32.027 -2.433 0.330 1.00 1.00 C ATOM 994 CG1 ILE B 704 31.632 -3.767 0.974 1.00 1.00 C ATOM 995 CG2 ILE B 704 33.151 -1.794 1.155 1.00 1.00 C ATOM 996 CD1 ILE B 704 32.736 -4.810 0.772 1.00 1.00 C ATOM 0 H ILE B 704 30.085 -2.858 -1.115 1.00 1.00 H new ATOM 0 HA ILE B 704 30.398 -1.474 1.340 1.00 1.00 H new ATOM 0 HB ILE B 704 32.375 -2.588 -0.691 1.00 1.00 H new ATOM 0 HG12 ILE B 704 31.450 -3.623 2.039 1.00 1.00 H new ATOM 0 HG13 ILE B 704 30.700 -4.126 0.537 1.00 1.00 H new ATOM 0 HG21 ILE B 704 34.022 -2.450 1.153 1.00 1.00 H new ATOM 0 HG22 ILE B 704 33.420 -0.832 0.719 1.00 1.00 H new ATOM 0 HG23 ILE B 704 32.811 -1.646 2.180 1.00 1.00 H new ATOM 0 HD11 ILE B 704 32.438 -5.750 1.236 1.00 1.00 H new ATOM 0 HD12 ILE B 704 32.898 -4.967 -0.294 1.00 1.00 H new ATOM 0 HD13 ILE B 704 33.659 -4.456 1.231 1.00 1.00 H new ATOM 1008 N LEU B 705 31.345 0.113 -1.388 1.00 1.00 N ATOM 1009 CA LEU B 705 31.720 1.430 -1.888 1.00 1.00 C ATOM 1010 C LEU B 705 30.651 2.454 -1.526 1.00 1.00 C ATOM 1011 O LEU B 705 30.968 3.570 -1.116 1.00 1.00 O ATOM 1012 CB LEU B 705 31.883 1.384 -3.407 1.00 1.00 C ATOM 1013 CG LEU B 705 33.240 0.770 -3.765 1.00 1.00 C ATOM 1014 CD1 LEU B 705 33.289 0.500 -5.269 1.00 1.00 C ATOM 1015 CD2 LEU B 705 34.377 1.732 -3.391 1.00 1.00 C ATOM 0 H LEU B 705 31.220 -0.599 -2.108 1.00 1.00 H new ATOM 0 HA LEU B 705 32.665 1.720 -1.429 1.00 1.00 H new ATOM 0 HB2 LEU B 705 31.079 0.796 -3.851 1.00 1.00 H new ATOM 0 HB3 LEU B 705 31.808 2.390 -3.821 1.00 1.00 H new ATOM 0 HG LEU B 705 33.364 -0.160 -3.211 1.00 1.00 H new ATOM 0 HD11 LEU B 705 34.253 0.063 -5.529 1.00 1.00 H new ATOM 0 HD12 LEU B 705 32.492 -0.192 -5.541 1.00 1.00 H new ATOM 0 HD13 LEU B 705 33.157 1.436 -5.811 1.00 1.00 H new ATOM 0 HD21 LEU B 705 35.335 1.282 -3.651 1.00 1.00 H new ATOM 0 HD22 LEU B 705 34.256 2.668 -3.936 1.00 1.00 H new ATOM 0 HD23 LEU B 705 34.348 1.930 -2.320 1.00 1.00 H new ATOM 1027 N LEU B 706 29.387 2.069 -1.665 1.00 1.00 N ATOM 1028 CA LEU B 706 28.298 2.976 -1.331 1.00 1.00 C ATOM 1029 C LEU B 706 28.349 3.323 0.155 1.00 1.00 C ATOM 1030 O LEU B 706 28.173 4.480 0.538 1.00 1.00 O ATOM 1031 CB LEU B 706 26.951 2.330 -1.660 1.00 1.00 C ATOM 1032 CG LEU B 706 26.788 2.217 -3.181 1.00 1.00 C ATOM 1033 CD1 LEU B 706 25.551 1.377 -3.498 1.00 1.00 C ATOM 1034 CD2 LEU B 706 26.632 3.611 -3.807 1.00 1.00 C ATOM 0 H LEU B 706 29.095 1.151 -2.001 1.00 1.00 H new ATOM 0 HA LEU B 706 28.409 3.887 -1.920 1.00 1.00 H new ATOM 0 HB2 LEU B 706 26.890 1.342 -1.204 1.00 1.00 H new ATOM 0 HB3 LEU B 706 26.140 2.925 -1.241 1.00 1.00 H new ATOM 0 HG LEU B 706 27.676 1.741 -3.597 1.00 1.00 H new ATOM 0 HD11 LEU B 706 25.434 1.296 -4.579 1.00 1.00 H new ATOM 0 HD12 LEU B 706 25.668 0.381 -3.070 1.00 1.00 H new ATOM 0 HD13 LEU B 706 24.668 1.854 -3.072 1.00 1.00 H new ATOM 0 HD21 LEU B 706 26.517 3.514 -4.887 1.00 1.00 H new ATOM 0 HD22 LEU B 706 25.751 4.100 -3.391 1.00 1.00 H new ATOM 0 HD23 LEU B 706 27.517 4.209 -3.588 1.00 1.00 H new ATOM 1046 N ILE B 707 28.604 2.315 0.987 1.00 1.00 N ATOM 1047 CA ILE B 707 28.691 2.528 2.428 1.00 1.00 C ATOM 1048 C ILE B 707 29.866 3.443 2.760 1.00 1.00 C ATOM 1049 O ILE B 707 29.742 4.358 3.575 1.00 1.00 O ATOM 1050 CB ILE B 707 28.861 1.189 3.147 1.00 1.00 C ATOM 1051 CG1 ILE B 707 27.575 0.369 3.009 1.00 1.00 C ATOM 1052 CG2 ILE B 707 29.153 1.442 4.626 1.00 1.00 C ATOM 1053 CD1 ILE B 707 27.835 -1.065 3.473 1.00 1.00 C ATOM 0 H ILE B 707 28.753 1.351 0.690 1.00 1.00 H new ATOM 0 HA ILE B 707 27.769 3.002 2.764 1.00 1.00 H new ATOM 0 HB ILE B 707 29.690 0.638 2.703 1.00 1.00 H new ATOM 0 HG12 ILE B 707 26.779 0.817 3.604 1.00 1.00 H new ATOM 0 HG13 ILE B 707 27.238 0.372 1.972 1.00 1.00 H new ATOM 0 HG21 ILE B 707 29.275 0.489 5.141 1.00 1.00 H new ATOM 0 HG22 ILE B 707 30.069 2.026 4.721 1.00 1.00 H new ATOM 0 HG23 ILE B 707 28.324 1.992 5.072 1.00 1.00 H new ATOM 0 HD11 ILE B 707 26.921 -1.650 3.376 1.00 1.00 H new ATOM 0 HD12 ILE B 707 28.618 -1.510 2.859 1.00 1.00 H new ATOM 0 HD13 ILE B 707 28.152 -1.058 4.516 1.00 1.00 H new ATOM 1065 N GLY B 708 31.005 3.195 2.119 1.00 1.00 N ATOM 1066 CA GLY B 708 32.191 4.009 2.353 1.00 1.00 C ATOM 1067 C GLY B 708 31.930 5.453 1.941 1.00 1.00 C ATOM 1068 O GLY B 708 32.311 6.391 2.640 1.00 1.00 O ATOM 0 H GLY B 708 31.130 2.444 1.440 1.00 1.00 H new ATOM 0 HA2 GLY B 708 32.466 3.968 3.407 1.00 1.00 H new ATOM 0 HA3 GLY B 708 33.033 3.609 1.788 1.00 1.00 H new ATOM 1072 N LEU B 709 31.264 5.617 0.806 1.00 1.00 N ATOM 1073 CA LEU B 709 30.938 6.946 0.308 1.00 1.00 C ATOM 1074 C LEU B 709 30.009 7.661 1.289 1.00 1.00 C ATOM 1075 O LEU B 709 30.174 8.847 1.560 1.00 1.00 O ATOM 1076 CB LEU B 709 30.268 6.833 -1.067 1.00 1.00 C ATOM 1077 CG LEU B 709 29.895 8.223 -1.603 1.00 1.00 C ATOM 1078 CD1 LEU B 709 31.142 9.105 -1.690 1.00 1.00 C ATOM 1079 CD2 LEU B 709 29.285 8.075 -3.001 1.00 1.00 C ATOM 0 H LEU B 709 30.940 4.851 0.216 1.00 1.00 H new ATOM 0 HA LEU B 709 31.856 7.526 0.210 1.00 1.00 H new ATOM 0 HB2 LEU B 709 30.941 6.337 -1.766 1.00 1.00 H new ATOM 0 HB3 LEU B 709 29.374 6.214 -0.992 1.00 1.00 H new ATOM 0 HG LEU B 709 29.176 8.686 -0.927 1.00 1.00 H new ATOM 0 HD11 LEU B 709 30.866 10.088 -2.071 1.00 1.00 H new ATOM 0 HD12 LEU B 709 31.583 9.211 -0.699 1.00 1.00 H new ATOM 0 HD13 LEU B 709 31.867 8.645 -2.362 1.00 1.00 H new ATOM 0 HD21 LEU B 709 29.018 9.059 -3.387 1.00 1.00 H new ATOM 0 HD22 LEU B 709 30.011 7.608 -3.667 1.00 1.00 H new ATOM 0 HD23 LEU B 709 28.392 7.453 -2.944 1.00 1.00 H new ATOM 1091 N ALA B 710 29.028 6.930 1.814 1.00 1.00 N ATOM 1092 CA ALA B 710 28.077 7.513 2.758 1.00 1.00 C ATOM 1093 C ALA B 710 28.791 8.005 4.011 1.00 1.00 C ATOM 1094 O ALA B 710 28.433 9.038 4.575 1.00 1.00 O ATOM 1095 CB ALA B 710 27.024 6.478 3.153 1.00 1.00 C ATOM 0 H ALA B 710 28.871 5.944 1.605 1.00 1.00 H new ATOM 0 HA ALA B 710 27.594 8.359 2.270 1.00 1.00 H new ATOM 0 HB1 ALA B 710 26.321 6.924 3.857 1.00 1.00 H new ATOM 0 HB2 ALA B 710 26.487 6.148 2.264 1.00 1.00 H new ATOM 0 HB3 ALA B 710 27.512 5.623 3.621 1.00 1.00 H new ATOM 1101 N ALA B 711 29.800 7.260 4.447 1.00 1.00 N ATOM 1102 CA ALA B 711 30.546 7.637 5.638 1.00 1.00 C ATOM 1103 C ALA B 711 31.233 8.985 5.435 1.00 1.00 C ATOM 1104 O ALA B 711 31.298 9.803 6.353 1.00 1.00 O ATOM 1105 CB ALA B 711 31.594 6.571 5.947 1.00 1.00 C ATOM 0 H ALA B 711 30.117 6.401 3.998 1.00 1.00 H new ATOM 0 HA ALA B 711 29.850 7.720 6.473 1.00 1.00 H new ATOM 0 HB1 ALA B 711 32.151 6.856 6.839 1.00 1.00 H new ATOM 0 HB2 ALA B 711 31.100 5.614 6.118 1.00 1.00 H new ATOM 0 HB3 ALA B 711 32.280 6.480 5.105 1.00 1.00 H new ATOM 1111 N LEU B 712 31.744 9.206 4.226 1.00 1.00 N ATOM 1112 CA LEU B 712 32.429 10.459 3.909 1.00 1.00 C ATOM 1113 C LEU B 712 31.468 11.647 4.030 1.00 1.00 C ATOM 1114 O LEU B 712 31.821 12.688 4.586 1.00 1.00 O ATOM 1115 CB LEU B 712 33.003 10.400 2.484 1.00 1.00 C ATOM 1116 CG LEU B 712 33.719 11.716 2.136 1.00 1.00 C ATOM 1117 CD1 LEU B 712 34.833 11.992 3.149 1.00 1.00 C ATOM 1118 CD2 LEU B 712 34.335 11.604 0.740 1.00 1.00 C ATOM 0 H LEU B 712 31.698 8.540 3.455 1.00 1.00 H new ATOM 0 HA LEU B 712 33.243 10.594 4.621 1.00 1.00 H new ATOM 0 HB2 LEU B 712 33.701 9.567 2.401 1.00 1.00 H new ATOM 0 HB3 LEU B 712 32.200 10.216 1.770 1.00 1.00 H new ATOM 0 HG LEU B 712 32.995 12.531 2.163 1.00 1.00 H new ATOM 0 HD11 LEU B 712 35.334 12.926 2.894 1.00 1.00 H new ATOM 0 HD12 LEU B 712 34.405 12.071 4.148 1.00 1.00 H new ATOM 0 HD13 LEU B 712 35.555 11.176 3.127 1.00 1.00 H new ATOM 0 HD21 LEU B 712 34.843 12.536 0.491 1.00 1.00 H new ATOM 0 HD22 LEU B 712 35.052 10.784 0.724 1.00 1.00 H new ATOM 0 HD23 LEU B 712 33.549 11.413 0.010 1.00 1.00 H new ATOM 1130 N LEU B 713 30.249 11.479 3.517 1.00 1.00 N ATOM 1131 CA LEU B 713 29.241 12.537 3.587 1.00 1.00 C ATOM 1132 C LEU B 713 28.885 12.833 5.038 1.00 1.00 C ATOM 1133 O LEU B 713 28.701 13.984 5.415 1.00 1.00 O ATOM 1134 CB LEU B 713 27.969 12.147 2.811 1.00 1.00 C ATOM 1135 CG LEU B 713 28.104 12.474 1.310 1.00 1.00 C ATOM 1136 CD1 LEU B 713 27.935 13.979 1.077 1.00 1.00 C ATOM 1137 CD2 LEU B 713 29.470 12.038 0.779 1.00 1.00 C ATOM 0 H LEU B 713 29.937 10.627 3.052 1.00 1.00 H new ATOM 0 HA LEU B 713 29.665 13.431 3.129 1.00 1.00 H new ATOM 0 HB2 LEU B 713 27.776 11.082 2.937 1.00 1.00 H new ATOM 0 HB3 LEU B 713 27.111 12.677 3.225 1.00 1.00 H new ATOM 0 HG LEU B 713 27.324 11.930 0.778 1.00 1.00 H new ATOM 0 HD11 LEU B 713 28.033 14.196 0.013 1.00 1.00 H new ATOM 0 HD12 LEU B 713 26.950 14.292 1.422 1.00 1.00 H new ATOM 0 HD13 LEU B 713 28.702 14.521 1.630 1.00 1.00 H new ATOM 0 HD21 LEU B 713 29.542 12.279 -0.282 1.00 1.00 H new ATOM 0 HD22 LEU B 713 30.256 12.561 1.324 1.00 1.00 H new ATOM 0 HD23 LEU B 713 29.587 10.963 0.916 1.00 1.00 H new ATOM 1149 N ILE B 714 28.776 11.784 5.845 1.00 1.00 N ATOM 1150 CA ILE B 714 28.430 11.954 7.253 1.00 1.00 C ATOM 1151 C ILE B 714 29.524 12.744 7.980 1.00 1.00 C ATOM 1152 O ILE B 714 29.239 13.636 8.778 1.00 1.00 O ATOM 1153 CB ILE B 714 28.255 10.594 7.920 1.00 1.00 C ATOM 1154 CG1 ILE B 714 27.014 9.895 7.349 1.00 1.00 C ATOM 1155 CG2 ILE B 714 28.090 10.792 9.428 1.00 1.00 C ATOM 1156 CD1 ILE B 714 26.993 8.439 7.813 1.00 1.00 C ATOM 0 H ILE B 714 28.920 10.817 5.554 1.00 1.00 H new ATOM 0 HA ILE B 714 27.492 12.507 7.312 1.00 1.00 H new ATOM 0 HB ILE B 714 29.132 9.975 7.727 1.00 1.00 H new ATOM 0 HG12 ILE B 714 26.110 10.407 7.680 1.00 1.00 H new ATOM 0 HG13 ILE B 714 27.026 9.941 6.260 1.00 1.00 H new ATOM 0 HG21 ILE B 714 27.964 9.823 9.911 1.00 1.00 H new ATOM 0 HG22 ILE B 714 28.975 11.285 9.829 1.00 1.00 H new ATOM 0 HG23 ILE B 714 27.212 11.409 9.620 1.00 1.00 H new ATOM 0 HD11 ILE B 714 26.112 7.941 7.408 1.00 1.00 H new ATOM 0 HD12 ILE B 714 27.891 7.932 7.460 1.00 1.00 H new ATOM 0 HD13 ILE B 714 26.961 8.405 8.902 1.00 1.00 H new ATOM 1168 N TRP B 715 30.773 12.408 7.687 1.00 1.00 N ATOM 1169 CA TRP B 715 31.921 13.085 8.288 1.00 1.00 C ATOM 1170 C TRP B 715 31.889 14.584 7.941 1.00 1.00 C ATOM 1171 O TRP B 715 32.258 15.439 8.749 1.00 1.00 O ATOM 1172 CB TRP B 715 33.217 12.462 7.769 1.00 1.00 C ATOM 1173 CG TRP B 715 34.295 12.526 8.806 1.00 1.00 C ATOM 1174 CD1 TRP B 715 34.391 13.438 9.805 1.00 1.00 C ATOM 1175 CD2 TRP B 715 35.442 11.648 8.948 1.00 1.00 C ATOM 1176 NE1 TRP B 715 35.521 13.168 10.547 1.00 1.00 N ATOM 1177 CE2 TRP B 715 36.205 12.077 10.057 1.00 1.00 C ATOM 1178 CE3 TRP B 715 35.891 10.528 8.224 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 37.372 11.422 10.437 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 37.069 9.865 8.605 1.00 1.00 C ATOM 1181 CH2 TRP B 715 37.808 10.313 9.709 1.00 1.00 C ATOM 0 H TRP B 715 31.021 11.666 7.033 1.00 1.00 H new ATOM 0 HA TRP B 715 31.875 12.970 9.371 1.00 1.00 H new ATOM 0 HB2 TRP B 715 33.039 11.424 7.488 1.00 1.00 H new ATOM 0 HB3 TRP B 715 33.541 12.985 6.869 1.00 1.00 H new ATOM 0 HD1 TRP B 715 33.696 14.244 9.989 1.00 1.00 H new ATOM 0 HE1 TRP B 715 35.815 13.710 11.360 1.00 1.00 H new ATOM 0 HE3 TRP B 715 35.328 10.177 7.372 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 37.937 11.769 11.289 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 37.407 9.006 8.045 1.00 1.00 H new ATOM 0 HH2 TRP B 715 38.714 9.801 9.996 1.00 1.00 H new ATOM 1192 N LYS B 716 31.478 14.901 6.716 1.00 1.00 N ATOM 1193 CA LYS B 716 31.421 16.304 6.299 1.00 1.00 C ATOM 1194 C LYS B 716 30.384 17.073 7.124 1.00 1.00 C ATOM 1195 O LYS B 716 30.638 18.185 7.595 1.00 1.00 O ATOM 1196 CB LYS B 716 31.068 16.419 4.795 1.00 1.00 C ATOM 1197 CG LYS B 716 32.263 16.923 3.940 1.00 1.00 C ATOM 1198 CD LYS B 716 32.252 18.463 3.805 1.00 1.00 C ATOM 1199 CE LYS B 716 32.736 19.100 5.105 1.00 1.00 C ATOM 1200 NZ LYS B 716 32.951 20.559 4.900 1.00 1.00 N ATOM 0 H LYS B 716 31.186 14.227 6.009 1.00 1.00 H new ATOM 0 HA LYS B 716 32.406 16.738 6.467 1.00 1.00 H new ATOM 0 HB2 LYS B 716 30.746 15.445 4.425 1.00 1.00 H new ATOM 0 HB3 LYS B 716 30.226 17.100 4.674 1.00 1.00 H new ATOM 0 HG2 LYS B 716 33.199 16.603 4.397 1.00 1.00 H new ATOM 0 HG3 LYS B 716 32.220 16.469 2.950 1.00 1.00 H new ATOM 0 HD2 LYS B 716 32.893 18.769 2.979 1.00 1.00 H new ATOM 0 HD3 LYS B 716 31.245 18.810 3.572 1.00 1.00 H new ATOM 0 HE2 LYS B 716 32.003 18.938 5.895 1.00 1.00 H new ATOM 0 HE3 LYS B 716 33.664 18.628 5.429 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 33.708 20.891 5.532 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 33.223 20.734 3.912 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 32.072 21.073 5.113 1.00 1.00 H new ATOM 1214 N LEU B 717 29.215 16.476 7.302 1.00 1.00 N ATOM 1215 CA LEU B 717 28.160 17.114 8.087 1.00 1.00 C ATOM 1216 C LEU B 717 28.588 17.280 9.538 1.00 1.00 C ATOM 1217 O LEU B 717 28.285 18.287 10.167 1.00 1.00 O ATOM 1218 CB LEU B 717 26.846 16.312 8.022 1.00 1.00 C ATOM 1219 CG LEU B 717 26.021 16.687 6.770 1.00 1.00 C ATOM 1220 CD1 LEU B 717 25.306 18.027 6.990 1.00 1.00 C ATOM 1221 CD2 LEU B 717 26.918 16.801 5.531 1.00 1.00 C ATOM 0 H LEU B 717 28.971 15.562 6.920 1.00 1.00 H new ATOM 0 HA LEU B 717 27.986 18.098 7.653 1.00 1.00 H new ATOM 0 HB2 LEU B 717 27.069 15.245 8.007 1.00 1.00 H new ATOM 0 HB3 LEU B 717 26.257 16.502 8.919 1.00 1.00 H new ATOM 0 HG LEU B 717 25.289 15.896 6.607 1.00 1.00 H new ATOM 0 HD11 LEU B 717 24.728 18.281 6.102 1.00 1.00 H new ATOM 0 HD12 LEU B 717 24.637 17.946 7.847 1.00 1.00 H new ATOM 0 HD13 LEU B 717 26.044 18.807 7.178 1.00 1.00 H new ATOM 0 HD21 LEU B 717 26.311 17.066 4.665 1.00 1.00 H new ATOM 0 HD22 LEU B 717 27.670 17.572 5.696 1.00 1.00 H new ATOM 0 HD23 LEU B 717 27.411 15.846 5.350 1.00 1.00 H new ATOM 1233 N LEU B 718 29.260 16.271 10.074 1.00 1.00 N ATOM 1234 CA LEU B 718 29.683 16.302 11.469 1.00 1.00 C ATOM 1235 C LEU B 718 30.663 17.453 11.758 1.00 1.00 C ATOM 1236 O LEU B 718 30.521 18.150 12.764 1.00 1.00 O ATOM 1237 CB LEU B 718 30.338 14.961 11.819 1.00 1.00 C ATOM 1238 CG LEU B 718 30.743 14.927 13.297 1.00 1.00 C ATOM 1239 CD1 LEU B 718 29.502 15.091 14.177 1.00 1.00 C ATOM 1240 CD2 LEU B 718 31.405 13.581 13.606 1.00 1.00 C ATOM 0 H LEU B 718 29.523 15.425 9.569 1.00 1.00 H new ATOM 0 HA LEU B 718 28.800 16.471 12.086 1.00 1.00 H new ATOM 0 HB2 LEU B 718 29.646 14.146 11.607 1.00 1.00 H new ATOM 0 HB3 LEU B 718 31.216 14.805 11.192 1.00 1.00 H new ATOM 0 HG LEU B 718 31.440 15.740 13.500 1.00 1.00 H new ATOM 0 HD11 LEU B 718 29.794 15.066 15.227 1.00 1.00 H new ATOM 0 HD12 LEU B 718 29.023 16.045 13.956 1.00 1.00 H new ATOM 0 HD13 LEU B 718 28.803 14.279 13.976 1.00 1.00 H new ATOM 0 HD21 LEU B 718 31.695 13.551 14.656 1.00 1.00 H new ATOM 0 HD22 LEU B 718 30.702 12.774 13.401 1.00 1.00 H new ATOM 0 HD23 LEU B 718 32.290 13.459 12.981 1.00 1.00 H new ATOM 1252 N ILE B 719 31.648 17.657 10.884 1.00 1.00 N ATOM 1253 CA ILE B 719 32.620 18.739 11.087 1.00 1.00 C ATOM 1254 C ILE B 719 31.953 20.103 10.921 1.00 1.00 C ATOM 1255 O ILE B 719 32.265 21.052 11.637 1.00 1.00 O ATOM 1256 CB ILE B 719 33.834 18.591 10.146 1.00 1.00 C ATOM 1257 CG1 ILE B 719 34.907 19.622 10.529 1.00 1.00 C ATOM 1258 CG2 ILE B 719 33.426 18.787 8.684 1.00 1.00 C ATOM 1259 CD1 ILE B 719 36.222 19.305 9.805 1.00 1.00 C ATOM 0 H ILE B 719 31.796 17.100 10.042 1.00 1.00 H new ATOM 0 HA ILE B 719 32.992 18.667 12.109 1.00 1.00 H new ATOM 0 HB ILE B 719 34.234 17.583 10.254 1.00 1.00 H new ATOM 0 HG12 ILE B 719 34.570 20.625 10.266 1.00 1.00 H new ATOM 0 HG13 ILE B 719 35.064 19.612 11.608 1.00 1.00 H new ATOM 0 HG21 ILE B 719 34.302 18.677 8.044 1.00 1.00 H new ATOM 0 HG22 ILE B 719 32.681 18.040 8.411 1.00 1.00 H new ATOM 0 HG23 ILE B 719 33.005 19.784 8.554 1.00 1.00 H new ATOM 0 HD11 ILE B 719 36.977 20.041 10.082 1.00 1.00 H new ATOM 0 HD12 ILE B 719 36.563 18.310 10.090 1.00 1.00 H new ATOM 0 HD13 ILE B 719 36.061 19.339 8.727 1.00 1.00 H new ATOM 1271 N THR B 720 31.034 20.188 9.970 1.00 1.00 N ATOM 1272 CA THR B 720 30.319 21.429 9.712 1.00 1.00 C ATOM 1273 C THR B 720 29.523 21.853 10.940 1.00 1.00 C ATOM 1274 O THR B 720 29.471 23.035 11.277 1.00 1.00 O ATOM 1275 CB THR B 720 29.378 21.258 8.520 1.00 1.00 C ATOM 1276 OG1 THR B 720 30.139 20.940 7.366 1.00 1.00 O ATOM 1277 CG2 THR B 720 28.599 22.553 8.275 1.00 1.00 C ATOM 0 H THR B 720 30.766 19.412 9.364 1.00 1.00 H new ATOM 0 HA THR B 720 31.050 22.204 9.482 1.00 1.00 H new ATOM 0 HB THR B 720 28.673 20.454 8.732 1.00 1.00 H new ATOM 0 HG1 THR B 720 30.372 19.988 7.380 1.00 1.00 H new ATOM 0 HG21 THR B 720 27.931 22.421 7.424 1.00 1.00 H new ATOM 0 HG22 THR B 720 28.013 22.798 9.161 1.00 1.00 H new ATOM 0 HG23 THR B 720 29.297 23.364 8.066 1.00 1.00 H new ATOM 1285 N ILE B 721 28.870 20.899 11.595 1.00 1.00 N ATOM 1286 CA ILE B 721 28.068 21.237 12.763 1.00 1.00 C ATOM 1287 C ILE B 721 28.944 21.804 13.878 1.00 1.00 C ATOM 1288 O ILE B 721 28.597 22.814 14.492 1.00 1.00 O ATOM 1289 CB ILE B 721 27.323 19.995 13.259 1.00 1.00 C ATOM 1290 CG1 ILE B 721 26.273 19.595 12.226 1.00 1.00 C ATOM 1291 CG2 ILE B 721 26.620 20.299 14.588 1.00 1.00 C ATOM 1292 CD1 ILE B 721 25.743 18.195 12.547 1.00 1.00 C ATOM 0 H ILE B 721 28.879 19.910 11.345 1.00 1.00 H new ATOM 0 HA ILE B 721 27.344 22.000 12.477 1.00 1.00 H new ATOM 0 HB ILE B 721 28.038 19.185 13.405 1.00 1.00 H new ATOM 0 HG12 ILE B 721 25.454 20.314 12.228 1.00 1.00 H new ATOM 0 HG13 ILE B 721 26.708 19.610 11.226 1.00 1.00 H new ATOM 0 HG21 ILE B 721 26.093 19.409 14.933 1.00 1.00 H new ATOM 0 HG22 ILE B 721 27.360 20.593 15.332 1.00 1.00 H new ATOM 0 HG23 ILE B 721 25.907 21.111 14.445 1.00 1.00 H new ATOM 0 HD11 ILE B 721 24.993 17.911 11.808 1.00 1.00 H new ATOM 0 HD12 ILE B 721 26.565 17.480 12.522 1.00 1.00 H new ATOM 0 HD13 ILE B 721 25.292 18.195 13.539 1.00 1.00 H new ATOM 1304 N HIS B 722 30.087 21.174 14.135 1.00 1.00 N ATOM 1305 CA HIS B 722 30.984 21.671 15.174 1.00 1.00 C ATOM 1306 C HIS B 722 31.473 23.081 14.837 1.00 1.00 C ATOM 1307 O HIS B 722 31.540 23.949 15.710 1.00 1.00 O ATOM 1308 CB HIS B 722 32.181 20.732 15.342 1.00 1.00 C ATOM 1309 CG HIS B 722 31.754 19.504 16.104 1.00 1.00 C ATOM 1310 ND1 HIS B 722 31.219 18.391 15.476 1.00 1.00 N ATOM 1311 CD2 HIS B 722 31.773 19.202 17.445 1.00 1.00 C ATOM 1312 CE1 HIS B 722 30.943 17.481 16.429 1.00 1.00 C ATOM 1313 NE2 HIS B 722 31.261 17.924 17.645 1.00 1.00 N ATOM 0 H HIS B 722 30.409 20.336 13.650 1.00 1.00 H new ATOM 0 HA HIS B 722 30.429 21.708 16.111 1.00 1.00 H new ATOM 0 HB2 HIS B 722 32.574 20.449 14.366 1.00 1.00 H new ATOM 0 HB3 HIS B 722 32.985 21.242 15.874 1.00 1.00 H new ATOM 0 HD1 HIS B 722 31.063 18.281 14.474 1.00 1.00 H new ATOM 0 HD2 HIS B 722 32.131 19.858 18.225 1.00 1.00 H new ATOM 0 HE1 HIS B 722 30.515 16.509 16.232 1.00 1.00 H new ATOM 1321 N ASP B 723 31.813 23.304 13.569 1.00 1.00 N ATOM 1322 CA ASP B 723 32.300 24.613 13.141 1.00 1.00 C ATOM 1323 C ASP B 723 31.224 25.675 13.368 1.00 1.00 C ATOM 1324 O ASP B 723 31.518 26.775 13.828 1.00 1.00 O ATOM 1325 CB ASP B 723 32.659 24.573 11.649 1.00 1.00 C ATOM 1326 CG ASP B 723 34.085 24.063 11.439 1.00 1.00 C ATOM 1327 OD1 ASP B 723 34.867 24.119 12.374 1.00 1.00 O ATOM 1328 OD2 ASP B 723 34.369 23.610 10.344 1.00 1.00 O ATOM 0 H ASP B 723 31.761 22.605 12.828 1.00 1.00 H new ATOM 0 HA ASP B 723 33.185 24.864 13.725 1.00 1.00 H new ATOM 0 HB2 ASP B 723 31.957 23.928 11.120 1.00 1.00 H new ATOM 0 HB3 ASP B 723 32.560 25.571 11.221 1.00 1.00 H new